USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 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 30 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -9.9! C(o=-9.9!,f=-12!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.0227 (180deg=-0.218) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 151:sc= -2 (180deg=-3.61!) USER MOD Single : A 46 CYS SG : rot -150:sc= -2.23 USER MOD Single : A 50 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-0.51) USER MOD Single : A 52 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.027) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -5.18! C(o=-5.2!,f=-3.7!) USER MOD Single : A 81 HIS : no HD1:sc= -0.0064 X(o=-0.0064,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 5.401 12.866 5.036 1.00 0.00 N ATOM 191 CA ILE A 16 4.980 11.496 4.771 1.00 0.00 C ATOM 192 C ILE A 16 3.525 11.447 4.317 1.00 0.00 C ATOM 193 O ILE A 16 2.673 12.157 4.852 1.00 0.00 O ATOM 194 CB ILE A 16 5.148 10.604 6.014 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.618 10.553 6.437 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.622 9.203 5.737 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.543 10.056 5.349 1.00 0.00 C ATOM 0 HA ILE A 16 5.621 11.118 3.974 1.00 0.00 H new ATOM 0 HB ILE A 16 4.568 11.033 6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.934 11.550 6.744 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.715 9.906 7.309 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.748 8.585 6.626 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.564 9.256 5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.176 8.764 4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.568 10.046 5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.253 9.047 5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.476 10.716 4.484 1.00 0.00 H new ATOM 209 N ALA A 17 3.246 10.604 3.329 1.00 0.00 N ATOM 210 CA ALA A 17 1.894 10.459 2.806 1.00 0.00 C ATOM 211 C ALA A 17 1.276 9.133 3.239 1.00 0.00 C ATOM 212 O ALA A 17 1.683 8.069 2.775 1.00 0.00 O ATOM 213 CB ALA A 17 1.900 10.569 1.288 1.00 0.00 C ATOM 0 H ALA A 17 3.940 10.010 2.874 1.00 0.00 H new ATOM 0 HA ALA A 17 1.285 11.265 3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.883 10.459 0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.292 11.543 0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.529 9.784 0.869 1.00 0.00 H new ATOM 219 N GLU A 18 0.294 9.207 4.131 1.00 0.00 N ATOM 220 CA GLU A 18 -0.378 8.011 4.627 1.00 0.00 C ATOM 221 C GLU A 18 -1.550 7.632 3.726 1.00 0.00 C ATOM 222 O GLU A 18 -2.550 8.344 3.656 1.00 0.00 O ATOM 223 CB GLU A 18 -0.873 8.234 6.058 1.00 0.00 C ATOM 224 CG GLU A 18 -1.712 7.089 6.597 1.00 0.00 C ATOM 225 CD GLU A 18 -3.189 7.254 6.295 1.00 0.00 C ATOM 226 OE1 GLU A 18 -3.799 8.206 6.825 1.00 0.00 O ATOM 227 OE2 GLU A 18 -3.734 6.434 5.528 1.00 0.00 O ATOM 0 H GLU A 18 -0.054 10.081 4.525 1.00 0.00 H new ATOM 0 HA GLU A 18 0.342 7.192 4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.014 8.383 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.461 9.151 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.360 6.152 6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.572 7.017 7.676 1.00 0.00 H new ATOM 234 N VAL A 19 -1.415 6.503 3.036 1.00 0.00 N ATOM 235 CA VAL A 19 -2.462 6.027 2.140 1.00 0.00 C ATOM 236 C VAL A 19 -2.867 4.597 2.479 1.00 0.00 C ATOM 237 O VAL A 19 -2.021 3.707 2.572 1.00 0.00 O ATOM 238 CB VAL A 19 -2.010 6.086 0.668 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.093 5.535 -0.246 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.648 7.512 0.280 1.00 0.00 C ATOM 0 H VAL A 19 -0.592 5.902 3.081 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.319 6.686 2.276 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.122 5.465 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.756 5.585 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.300 4.498 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.001 6.127 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.331 7.536 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.518 8.156 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.836 7.867 0.915 1.00 0.00 H new ATOM 250 N GLU A 20 -4.167 4.383 2.661 1.00 0.00 N ATOM 251 CA GLU A 20 -4.683 3.059 2.989 1.00 0.00 C ATOM 252 C GLU A 20 -5.446 2.465 1.808 1.00 0.00 C ATOM 253 O GLU A 20 -6.084 3.185 1.041 1.00 0.00 O ATOM 254 CB GLU A 20 -5.596 3.134 4.215 1.00 0.00 C ATOM 255 CG GLU A 20 -4.885 3.594 5.476 1.00 0.00 C ATOM 256 CD GLU A 20 -5.810 4.312 6.439 1.00 0.00 C ATOM 257 OE1 GLU A 20 -6.073 5.514 6.223 1.00 0.00 O ATOM 258 OE2 GLU A 20 -6.271 3.674 7.409 1.00 0.00 O ATOM 0 H GLU A 20 -4.881 5.108 2.587 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.836 2.411 3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.420 3.816 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.033 2.151 4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.445 2.731 5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.064 4.257 5.204 1.00 0.00 H new ATOM 265 N VAL A 21 -5.375 1.145 1.670 1.00 0.00 N ATOM 266 CA VAL A 21 -6.058 0.452 0.584 1.00 0.00 C ATOM 267 C VAL A 21 -6.910 -0.696 1.114 1.00 0.00 C ATOM 268 O VAL A 21 -6.537 -1.364 2.080 1.00 0.00 O ATOM 269 CB VAL A 21 -5.057 -0.100 -0.448 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.153 -1.143 0.190 1.00 0.00 C ATOM 271 CG2 VAL A 21 -5.793 -0.681 -1.646 1.00 0.00 C ATOM 0 H VAL A 21 -4.851 0.534 2.297 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.702 1.184 0.098 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.432 0.722 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.453 -1.522 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.599 -0.690 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.759 -1.966 0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.070 -1.066 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.443 -1.491 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.393 0.097 -2.117 1.00 0.00 H new ATOM 281 N SER A 22 -8.053 -0.921 0.477 1.00 0.00 N ATOM 282 CA SER A 22 -8.959 -1.988 0.886 1.00 0.00 C ATOM 283 C SER A 22 -8.499 -3.333 0.335 1.00 0.00 C ATOM 284 O SER A 22 -8.608 -3.596 -0.863 1.00 0.00 O ATOM 285 CB SER A 22 -10.382 -1.688 0.410 1.00 0.00 C ATOM 286 OG SER A 22 -11.287 -2.689 0.842 1.00 0.00 O ATOM 0 H SER A 22 -8.375 -0.379 -0.325 1.00 0.00 H new ATOM 0 HA SER A 22 -8.951 -2.040 1.975 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.699 -0.718 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.399 -1.624 -0.678 1.00 0.00 H new ATOM 0 HG SER A 22 -12.189 -2.473 0.526 1.00 0.00 H new ATOM 292 N ILE A 23 -7.985 -4.184 1.218 1.00 0.00 N ATOM 293 CA ILE A 23 -7.509 -5.502 0.821 1.00 0.00 C ATOM 294 C ILE A 23 -7.784 -6.536 1.908 1.00 0.00 C ATOM 295 O ILE A 23 -7.612 -6.280 3.100 1.00 0.00 O ATOM 296 CB ILE A 23 -6.000 -5.487 0.512 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.702 -4.519 -0.635 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.514 -6.888 0.171 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.298 -4.650 -1.184 1.00 0.00 C ATOM 0 H ILE A 23 -7.888 -3.983 2.213 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.053 -5.775 -0.083 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.466 -5.145 1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.416 -4.691 -1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.854 -3.497 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.446 -6.860 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.696 -7.552 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.051 -7.257 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.156 -3.934 -1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.577 -4.449 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.148 -5.661 -1.563 1.00 0.00 H new ATOM 311 N PRO A 24 -8.219 -7.733 1.488 1.00 0.00 N ATOM 312 CA PRO A 24 -8.525 -8.831 2.410 1.00 0.00 C ATOM 313 C PRO A 24 -7.273 -9.406 3.063 1.00 0.00 C ATOM 314 O PRO A 24 -6.188 -9.370 2.484 1.00 0.00 O ATOM 315 CB PRO A 24 -9.187 -9.877 1.508 1.00 0.00 C ATOM 316 CG PRO A 24 -8.653 -9.595 0.146 1.00 0.00 C ATOM 317 CD PRO A 24 -8.447 -8.108 0.082 1.00 0.00 C ATOM 0 HA PRO A 24 -9.153 -8.504 3.239 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.940 -10.889 1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.273 -9.791 1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.717 -10.126 -0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.351 -9.926 -0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.595 -7.847 -0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.317 -7.600 -0.333 1.00 0.00 H new ATOM 325 N ALA A 25 -7.432 -9.936 4.271 1.00 0.00 N ATOM 326 CA ALA A 25 -6.314 -10.521 5.001 1.00 0.00 C ATOM 327 C ALA A 25 -5.797 -11.775 4.302 1.00 0.00 C ATOM 328 O ALA A 25 -4.593 -11.934 4.098 1.00 0.00 O ATOM 329 CB ALA A 25 -6.726 -10.843 6.429 1.00 0.00 C ATOM 0 H ALA A 25 -8.324 -9.972 4.765 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.506 -9.790 5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.881 -11.279 6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.039 -9.928 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.553 -11.553 6.418 1.00 0.00 H new ATOM 335 N LYS A 26 -6.714 -12.664 3.939 1.00 0.00 N ATOM 336 CA LYS A 26 -6.354 -13.904 3.262 1.00 0.00 C ATOM 337 C LYS A 26 -5.283 -13.654 2.204 1.00 0.00 C ATOM 338 O LYS A 26 -4.370 -14.463 2.028 1.00 0.00 O ATOM 339 CB LYS A 26 -7.588 -14.535 2.615 1.00 0.00 C ATOM 340 CG LYS A 26 -8.045 -13.822 1.354 1.00 0.00 C ATOM 341 CD LYS A 26 -9.308 -14.448 0.786 1.00 0.00 C ATOM 342 CE LYS A 26 -10.132 -13.433 0.009 1.00 0.00 C ATOM 343 NZ LYS A 26 -11.418 -14.012 -0.469 1.00 0.00 N ATOM 0 H LYS A 26 -7.714 -12.549 4.103 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.952 -14.591 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.370 -15.576 2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.405 -14.538 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.227 -12.770 1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.252 -13.858 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.041 -15.279 0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.908 -14.860 1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.336 -12.569 0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.556 -13.074 -0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.950 -13.289 -0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.224 -14.821 -1.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.979 -14.331 0.346 1.00 0.00 H new ATOM 357 N LEU A 27 -5.400 -12.533 1.504 1.00 0.00 N ATOM 358 CA LEU A 27 -4.441 -12.176 0.464 1.00 0.00 C ATOM 359 C LEU A 27 -3.130 -11.693 1.075 1.00 0.00 C ATOM 360 O LEU A 27 -2.050 -12.132 0.680 1.00 0.00 O ATOM 361 CB LEU A 27 -5.024 -11.092 -0.445 1.00 0.00 C ATOM 362 CG LEU A 27 -6.100 -11.550 -1.431 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.441 -10.433 -2.404 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.641 -12.791 -2.181 1.00 0.00 C ATOM 0 H LEU A 27 -6.150 -11.854 1.637 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.237 -13.067 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.445 -10.307 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.208 -10.643 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.999 -11.801 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.208 -10.777 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.812 -9.570 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.548 -10.151 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.419 -13.103 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.728 -12.566 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.447 -13.595 -1.471 1.00 0.00 H new ATOM 376 N HIS A 28 -3.232 -10.787 2.042 1.00 0.00 N ATOM 377 CA HIS A 28 -2.054 -10.246 2.710 1.00 0.00 C ATOM 378 C HIS A 28 -0.980 -11.317 2.870 1.00 0.00 C ATOM 379 O HIS A 28 0.182 -11.100 2.529 1.00 0.00 O ATOM 380 CB HIS A 28 -2.433 -9.679 4.080 1.00 0.00 C ATOM 381 CG HIS A 28 -3.481 -8.611 4.016 1.00 0.00 C ATOM 382 ND1 HIS A 28 -4.038 -8.035 5.139 1.00 0.00 N ATOM 383 CD2 HIS A 28 -4.073 -8.012 2.956 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.928 -7.131 4.772 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.967 -7.096 3.452 1.00 0.00 N ATOM 0 H HIS A 28 -4.118 -10.412 2.380 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.653 -9.444 2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.791 -10.490 4.714 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.540 -9.273 4.556 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -3.800 -8.271 6.102 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.878 -8.217 1.914 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.523 -6.524 5.438 1.00 0.00 H new ATOM 393 N ASN A 29 -1.377 -12.473 3.391 1.00 0.00 N ATOM 394 CA ASN A 29 -0.447 -13.578 3.597 1.00 0.00 C ATOM 395 C ASN A 29 0.365 -13.849 2.334 1.00 0.00 C ATOM 396 O ASN A 29 1.595 -13.882 2.370 1.00 0.00 O ATOM 397 CB ASN A 29 -1.206 -14.841 4.009 1.00 0.00 C ATOM 398 CG ASN A 29 -1.805 -14.728 5.397 1.00 0.00 C ATOM 399 OD1 ASN A 29 -1.117 -14.921 6.400 1.00 0.00 O ATOM 400 ND2 ASN A 29 -3.094 -14.416 5.462 1.00 0.00 N ATOM 0 H ASN A 29 -2.336 -12.669 3.678 1.00 0.00 H new ATOM 0 HA ASN A 29 0.240 -13.298 4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.000 -15.036 3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.530 -15.695 3.977 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.552 -14.328 6.369 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.626 -14.265 4.605 1.00 0.00 H new ATOM 407 N SER A 30 -0.332 -14.040 1.219 1.00 0.00 N ATOM 408 CA SER A 30 0.323 -14.311 -0.056 1.00 0.00 C ATOM 409 C SER A 30 1.175 -13.122 -0.492 1.00 0.00 C ATOM 410 O SER A 30 2.366 -13.267 -0.770 1.00 0.00 O ATOM 411 CB SER A 30 -0.718 -14.628 -1.131 1.00 0.00 C ATOM 412 OG SER A 30 -0.187 -15.500 -2.113 1.00 0.00 O ATOM 0 H SER A 30 -1.351 -14.012 1.172 1.00 0.00 H new ATOM 0 HA SER A 30 0.975 -15.175 0.075 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.594 -15.085 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.051 -13.704 -1.603 1.00 0.00 H new ATOM 0 HG SER A 30 -0.872 -15.689 -2.788 1.00 0.00 H new ATOM 418 N LEU A 31 0.557 -11.948 -0.547 1.00 0.00 N ATOM 419 CA LEU A 31 1.257 -10.733 -0.948 1.00 0.00 C ATOM 420 C LEU A 31 2.593 -10.610 -0.223 1.00 0.00 C ATOM 421 O LEU A 31 3.613 -10.283 -0.832 1.00 0.00 O ATOM 422 CB LEU A 31 0.394 -9.504 -0.661 1.00 0.00 C ATOM 423 CG LEU A 31 -0.539 -9.060 -1.788 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.746 -8.326 -1.226 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.206 -8.181 -2.782 1.00 0.00 C ATOM 0 H LEU A 31 -0.428 -11.811 -0.319 1.00 0.00 H new ATOM 0 HA LEU A 31 1.449 -10.792 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.209 -9.707 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.053 -8.672 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.892 -9.949 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.398 -8.018 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.294 -8.987 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.413 -7.446 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.474 -7.874 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.589 -7.298 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.037 -8.741 -3.211 1.00 0.00 H new ATOM 437 N ILE A 32 2.581 -10.876 1.078 1.00 0.00 N ATOM 438 CA ILE A 32 3.793 -10.799 1.884 1.00 0.00 C ATOM 439 C ILE A 32 4.730 -11.963 1.582 1.00 0.00 C ATOM 440 O ILE A 32 5.921 -11.769 1.346 1.00 0.00 O ATOM 441 CB ILE A 32 3.468 -10.793 3.390 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.533 -9.630 3.727 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.748 -10.707 4.208 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.841 -9.780 5.065 1.00 0.00 C ATOM 0 H ILE A 32 1.746 -11.147 1.597 1.00 0.00 H new ATOM 0 HA ILE A 32 4.286 -9.863 1.623 1.00 0.00 H new ATOM 0 HB ILE A 32 2.962 -11.725 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.105 -8.702 3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.779 -9.542 2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.502 -10.704 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.381 -11.566 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.280 -9.789 3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.194 -8.920 5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.242 -10.691 5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.588 -9.838 5.857 1.00 0.00 H new ATOM 456 N GLY A 33 4.182 -13.174 1.590 1.00 0.00 N ATOM 457 CA GLY A 33 4.983 -14.353 1.314 1.00 0.00 C ATOM 458 C GLY A 33 5.175 -15.223 2.539 1.00 0.00 C ATOM 459 O GLY A 33 4.224 -15.497 3.272 1.00 0.00 O ATOM 0 H GLY A 33 3.198 -13.360 1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.505 -14.938 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.957 -14.046 0.934 1.00 0.00 H new ATOM 463 N THR A 34 6.410 -15.662 2.764 1.00 0.00 N ATOM 464 CA THR A 34 6.724 -16.509 3.908 1.00 0.00 C ATOM 465 C THR A 34 7.331 -15.696 5.044 1.00 0.00 C ATOM 466 O THR A 34 6.961 -15.860 6.207 1.00 0.00 O ATOM 467 CB THR A 34 7.700 -17.637 3.520 1.00 0.00 C ATOM 468 OG1 THR A 34 7.928 -18.496 4.644 1.00 0.00 O ATOM 469 CG2 THR A 34 9.023 -17.065 3.035 1.00 0.00 C ATOM 0 H THR A 34 7.209 -15.445 2.169 1.00 0.00 H new ATOM 0 HA THR A 34 5.785 -16.950 4.242 1.00 0.00 H new ATOM 0 HB THR A 34 7.253 -18.212 2.709 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.548 -19.211 4.389 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.695 -17.880 2.767 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.849 -16.436 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.474 -16.468 3.828 1.00 0.00 H new ATOM 477 N LYS A 35 8.267 -14.817 4.702 1.00 0.00 N ATOM 478 CA LYS A 35 8.926 -13.974 5.694 1.00 0.00 C ATOM 479 C LYS A 35 8.589 -12.503 5.468 1.00 0.00 C ATOM 480 O LYS A 35 8.469 -11.732 6.418 1.00 0.00 O ATOM 481 CB LYS A 35 10.442 -14.176 5.637 1.00 0.00 C ATOM 482 CG LYS A 35 11.189 -13.484 6.764 1.00 0.00 C ATOM 483 CD LYS A 35 11.139 -14.296 8.048 1.00 0.00 C ATOM 484 CE LYS A 35 12.121 -15.456 8.013 1.00 0.00 C ATOM 485 NZ LYS A 35 13.533 -14.990 8.090 1.00 0.00 N ATOM 0 H LYS A 35 8.587 -14.669 3.745 1.00 0.00 H new ATOM 0 HA LYS A 35 8.563 -14.264 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.660 -15.244 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.814 -13.804 4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.227 -13.328 6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.755 -12.499 6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.367 -13.651 8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.129 -14.677 8.199 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.916 -16.131 8.844 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.976 -16.027 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.150 -15.791 8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.820 -14.600 7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.616 -14.253 8.820 1.00 0.00 H new ATOM 499 N GLY A 36 8.437 -12.123 4.203 1.00 0.00 N ATOM 500 CA GLY A 36 8.114 -10.746 3.876 1.00 0.00 C ATOM 501 C GLY A 36 8.965 -10.205 2.745 1.00 0.00 C ATOM 502 O GLY A 36 8.897 -9.018 2.422 1.00 0.00 O ATOM 0 H GLY A 36 8.532 -12.744 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.062 -10.679 3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.252 -10.124 4.760 1.00 0.00 H new ATOM 506 N ARG A 37 9.767 -11.074 2.141 1.00 0.00 N ATOM 507 CA ARG A 37 10.636 -10.675 1.040 1.00 0.00 C ATOM 508 C ARG A 37 9.817 -10.169 -0.144 1.00 0.00 C ATOM 509 O ARG A 37 10.246 -9.274 -0.872 1.00 0.00 O ATOM 510 CB ARG A 37 11.513 -11.851 0.603 1.00 0.00 C ATOM 511 CG ARG A 37 10.721 -13.071 0.163 1.00 0.00 C ATOM 512 CD ARG A 37 11.481 -13.884 -0.873 1.00 0.00 C ATOM 513 NE ARG A 37 10.712 -15.037 -1.334 1.00 0.00 N ATOM 514 CZ ARG A 37 11.022 -15.741 -2.417 1.00 0.00 C ATOM 515 NH1 ARG A 37 12.080 -15.412 -3.147 1.00 0.00 N ATOM 516 NH2 ARG A 37 10.274 -16.778 -2.773 1.00 0.00 N ATOM 0 H ARG A 37 9.834 -12.060 2.395 1.00 0.00 H new ATOM 0 HA ARG A 37 11.275 -9.864 1.390 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.155 -11.530 -0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.167 -12.131 1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.502 -13.696 1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.764 -12.755 -0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.727 -13.248 -1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.424 -14.224 -0.446 1.00 0.00 H new ATOM 0 HE ARG A 37 9.892 -15.317 -0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.658 -14.616 -2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.315 -15.955 -3.978 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.460 -17.035 -2.215 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.513 -17.318 -3.605 1.00 0.00 H new ATOM 530 N LEU A 38 8.637 -10.750 -0.330 1.00 0.00 N ATOM 531 CA LEU A 38 7.756 -10.358 -1.426 1.00 0.00 C ATOM 532 C LEU A 38 7.360 -8.890 -1.309 1.00 0.00 C ATOM 533 O LEU A 38 7.483 -8.126 -2.266 1.00 0.00 O ATOM 534 CB LEU A 38 6.505 -11.238 -1.440 1.00 0.00 C ATOM 535 CG LEU A 38 5.877 -11.490 -2.810 1.00 0.00 C ATOM 536 CD1 LEU A 38 5.446 -10.179 -3.450 1.00 0.00 C ATOM 537 CD2 LEU A 38 6.850 -12.232 -3.714 1.00 0.00 C ATOM 0 H LEU A 38 8.268 -11.493 0.263 1.00 0.00 H new ATOM 0 HA LEU A 38 8.298 -10.494 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.758 -12.201 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.754 -10.778 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 38 4.992 -12.112 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.001 -10.379 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.713 -9.686 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.314 -9.532 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.386 -12.403 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.753 -11.636 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.109 -13.190 -3.262 1.00 0.00 H new ATOM 549 N ILE A 39 6.886 -8.504 -0.129 1.00 0.00 N ATOM 550 CA ILE A 39 6.475 -7.126 0.115 1.00 0.00 C ATOM 551 C ILE A 39 7.685 -6.210 0.267 1.00 0.00 C ATOM 552 O ILE A 39 7.728 -5.123 -0.308 1.00 0.00 O ATOM 553 CB ILE A 39 5.598 -7.015 1.375 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.154 -7.406 1.056 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.658 -5.603 1.939 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.384 -6.329 0.326 1.00 0.00 C ATOM 0 H ILE A 39 6.777 -9.125 0.673 1.00 0.00 H new ATOM 0 HA ILE A 39 5.892 -6.812 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 39 5.982 -7.703 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.157 -8.313 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.637 -7.644 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.033 -5.540 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.688 -5.359 2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.296 -4.897 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.369 -6.675 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.350 -5.428 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.878 -6.106 -0.620 1.00 0.00 H new ATOM 568 N ARG A 40 8.665 -6.659 1.044 1.00 0.00 N ATOM 569 CA ARG A 40 9.877 -5.880 1.271 1.00 0.00 C ATOM 570 C ARG A 40 10.465 -5.392 -0.049 1.00 0.00 C ATOM 571 O ARG A 40 10.812 -4.219 -0.191 1.00 0.00 O ATOM 572 CB ARG A 40 10.912 -6.716 2.026 1.00 0.00 C ATOM 573 CG ARG A 40 10.705 -6.728 3.531 1.00 0.00 C ATOM 574 CD ARG A 40 11.541 -7.807 4.200 1.00 0.00 C ATOM 575 NE ARG A 40 12.971 -7.610 3.975 1.00 0.00 N ATOM 576 CZ ARG A 40 13.915 -8.169 4.723 1.00 0.00 C ATOM 577 NH1 ARG A 40 13.585 -8.955 5.738 1.00 0.00 N ATOM 578 NH2 ARG A 40 15.195 -7.941 4.456 1.00 0.00 N ATOM 0 H ARG A 40 8.644 -7.557 1.527 1.00 0.00 H new ATOM 0 HA ARG A 40 9.613 -5.011 1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.879 -7.740 1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.908 -6.330 1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.969 -5.754 3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.651 -6.893 3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.340 -7.810 5.271 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.245 -8.784 3.818 1.00 0.00 H new ATOM 0 HE ARG A 40 13.260 -7.011 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.603 -9.133 5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.313 -9.382 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.453 -7.336 3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.920 -8.370 5.031 1.00 0.00 H new ATOM 592 N SER A 41 10.576 -6.300 -1.014 1.00 0.00 N ATOM 593 CA SER A 41 11.126 -5.964 -2.322 1.00 0.00 C ATOM 594 C SER A 41 10.502 -4.680 -2.860 1.00 0.00 C ATOM 595 O SER A 41 11.202 -3.705 -3.134 1.00 0.00 O ATOM 596 CB SER A 41 10.892 -7.110 -3.307 1.00 0.00 C ATOM 597 OG SER A 41 11.348 -6.769 -4.604 1.00 0.00 O ATOM 0 H SER A 41 10.292 -7.275 -0.914 1.00 0.00 H new ATOM 0 HA SER A 41 12.198 -5.806 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.410 -8.004 -2.959 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.830 -7.351 -3.343 1.00 0.00 H new ATOM 0 HG SER A 41 11.189 -7.519 -5.214 1.00 0.00 H new ATOM 603 N ILE A 42 9.182 -4.688 -3.008 1.00 0.00 N ATOM 604 CA ILE A 42 8.463 -3.525 -3.512 1.00 0.00 C ATOM 605 C ILE A 42 8.870 -2.260 -2.763 1.00 0.00 C ATOM 606 O ILE A 42 9.086 -1.211 -3.369 1.00 0.00 O ATOM 607 CB ILE A 42 6.939 -3.710 -3.394 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.489 -4.939 -4.186 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.215 -2.464 -3.882 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.211 -5.559 -3.667 1.00 0.00 C ATOM 0 H ILE A 42 8.588 -5.487 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 42 8.727 -3.423 -4.564 1.00 0.00 H new ATOM 0 HB ILE A 42 6.687 -3.866 -2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.349 -4.657 -5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.282 -5.687 -4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.139 -2.610 -3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.517 -1.608 -3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.471 -2.280 -4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.953 -6.425 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.353 -5.873 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.405 -4.827 -3.717 1.00 0.00 H new ATOM 622 N MET A 43 8.973 -2.368 -1.443 1.00 0.00 N ATOM 623 CA MET A 43 9.357 -1.234 -0.611 1.00 0.00 C ATOM 624 C MET A 43 10.682 -0.640 -1.079 1.00 0.00 C ATOM 625 O MET A 43 10.782 0.564 -1.316 1.00 0.00 O ATOM 626 CB MET A 43 9.467 -1.661 0.854 1.00 0.00 C ATOM 627 CG MET A 43 8.176 -2.233 1.418 1.00 0.00 C ATOM 628 SD MET A 43 8.107 -2.146 3.218 1.00 0.00 S ATOM 629 CE MET A 43 9.415 -3.287 3.663 1.00 0.00 C ATOM 0 H MET A 43 8.796 -3.229 -0.926 1.00 0.00 H new ATOM 0 HA MET A 43 8.584 -0.471 -0.703 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.257 -2.406 0.949 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.766 -0.801 1.453 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.329 -1.690 0.999 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.076 -3.272 1.104 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.848 -2.990 4.618 1.00 0.00 H new ATOM 0 HE2 MET A 43 9.006 -4.294 3.747 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.188 -3.272 2.894 1.00 0.00 H new ATOM 639 N GLU A 44 11.693 -1.492 -1.211 1.00 0.00 N ATOM 640 CA GLU A 44 13.011 -1.049 -1.651 1.00 0.00 C ATOM 641 C GLU A 44 12.980 -0.620 -3.115 1.00 0.00 C ATOM 642 O GLU A 44 13.267 0.532 -3.441 1.00 0.00 O ATOM 643 CB GLU A 44 14.041 -2.165 -1.457 1.00 0.00 C ATOM 644 CG GLU A 44 15.466 -1.659 -1.307 1.00 0.00 C ATOM 645 CD GLU A 44 15.809 -1.297 0.125 1.00 0.00 C ATOM 646 OE1 GLU A 44 15.428 -2.059 1.037 1.00 0.00 O ATOM 647 OE2 GLU A 44 16.461 -0.252 0.332 1.00 0.00 O ATOM 0 H GLU A 44 11.625 -2.492 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 44 13.298 -0.190 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.775 -2.744 -0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.993 -2.844 -2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.158 -2.423 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.606 -0.784 -1.942 1.00 0.00 H new ATOM 654 N GLU A 45 12.632 -1.555 -3.992 1.00 0.00 N ATOM 655 CA GLU A 45 12.565 -1.274 -5.422 1.00 0.00 C ATOM 656 C GLU A 45 11.819 0.030 -5.686 1.00 0.00 C ATOM 657 O GLU A 45 12.258 0.859 -6.484 1.00 0.00 O ATOM 658 CB GLU A 45 11.879 -2.425 -6.159 1.00 0.00 C ATOM 659 CG GLU A 45 12.604 -3.754 -6.024 1.00 0.00 C ATOM 660 CD GLU A 45 14.078 -3.651 -6.363 1.00 0.00 C ATOM 661 OE1 GLU A 45 14.400 -3.186 -7.476 1.00 0.00 O ATOM 662 OE2 GLU A 45 14.910 -4.037 -5.515 1.00 0.00 O ATOM 0 H GLU A 45 12.392 -2.513 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 45 13.584 -1.171 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.863 -2.535 -5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.798 -2.171 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.494 -4.121 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.135 -4.488 -6.679 1.00 0.00 H new ATOM 669 N CYS A 46 10.688 0.204 -5.011 1.00 0.00 N ATOM 670 CA CYS A 46 9.879 1.407 -5.173 1.00 0.00 C ATOM 671 C CYS A 46 10.668 2.651 -4.778 1.00 0.00 C ATOM 672 O CYS A 46 10.810 3.584 -5.567 1.00 0.00 O ATOM 673 CB CYS A 46 8.606 1.308 -4.330 1.00 0.00 C ATOM 674 SG CYS A 46 7.424 2.646 -4.617 1.00 0.00 S ATOM 0 H CYS A 46 10.311 -0.472 -4.347 1.00 0.00 H new ATOM 0 HA CYS A 46 9.605 1.491 -6.225 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.118 0.356 -4.539 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.881 1.301 -3.275 1.00 0.00 H new ATOM 0 HG CYS A 46 6.749 2.869 -3.529 1.00 0.00 H new ATOM 680 N GLY A 47 11.178 2.657 -3.550 1.00 0.00 N ATOM 681 CA GLY A 47 11.944 3.793 -3.071 1.00 0.00 C ATOM 682 C GLY A 47 12.341 3.652 -1.615 1.00 0.00 C ATOM 683 O GLY A 47 13.465 3.976 -1.236 1.00 0.00 O ATOM 0 H GLY A 47 11.074 1.896 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.841 3.905 -3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.357 4.703 -3.198 1.00 0.00 H new ATOM 687 N GLY A 48 11.412 3.170 -0.794 1.00 0.00 N ATOM 688 CA GLY A 48 11.688 2.998 0.620 1.00 0.00 C ATOM 689 C GLY A 48 10.467 3.244 1.483 1.00 0.00 C ATOM 690 O GLY A 48 10.560 3.875 2.536 1.00 0.00 O ATOM 0 H GLY A 48 10.473 2.896 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.055 1.987 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.483 3.682 0.918 1.00 0.00 H new ATOM 694 N VAL A 49 9.318 2.746 1.037 1.00 0.00 N ATOM 695 CA VAL A 49 8.073 2.917 1.776 1.00 0.00 C ATOM 696 C VAL A 49 7.858 1.772 2.760 1.00 0.00 C ATOM 697 O VAL A 49 8.431 0.693 2.609 1.00 0.00 O ATOM 698 CB VAL A 49 6.863 2.997 0.826 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.074 4.082 -0.218 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.616 1.650 0.164 1.00 0.00 C ATOM 0 H VAL A 49 9.224 2.221 0.168 1.00 0.00 H new ATOM 0 HA VAL A 49 8.156 3.855 2.326 1.00 0.00 H new ATOM 0 HB VAL A 49 5.981 3.256 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.209 4.123 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.198 5.045 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.967 3.857 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.758 1.725 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.497 1.359 -0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.416 0.900 0.929 1.00 0.00 H new ATOM 710 N HIS A 50 7.028 2.016 3.770 1.00 0.00 N ATOM 711 CA HIS A 50 6.736 1.005 4.780 1.00 0.00 C ATOM 712 C HIS A 50 5.262 0.611 4.744 1.00 0.00 C ATOM 713 O HIS A 50 4.379 1.461 4.869 1.00 0.00 O ATOM 714 CB HIS A 50 7.103 1.522 6.171 1.00 0.00 C ATOM 715 CG HIS A 50 8.521 1.990 6.280 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.304 1.766 7.394 1.00 0.00 N ATOM 717 CD2 HIS A 50 9.299 2.671 5.408 1.00 0.00 C ATOM 718 CE1 HIS A 50 10.500 2.291 7.201 1.00 0.00 C ATOM 719 NE2 HIS A 50 10.524 2.846 6.003 1.00 0.00 N ATOM 0 H HIS A 50 6.546 2.904 3.910 1.00 0.00 H new ATOM 0 HA HIS A 50 7.336 0.122 4.559 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.436 2.344 6.432 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.933 0.730 6.901 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.010 3.014 4.425 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.320 2.270 7.904 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.322 3.326 5.588 1.00 0.00 H new ATOM 727 N ILE A 51 5.003 -0.681 4.570 1.00 0.00 N ATOM 728 CA ILE A 51 3.637 -1.186 4.518 1.00 0.00 C ATOM 729 C ILE A 51 3.246 -1.852 5.833 1.00 0.00 C ATOM 730 O ILE A 51 3.936 -2.750 6.315 1.00 0.00 O ATOM 731 CB ILE A 51 3.455 -2.196 3.370 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.870 -1.569 2.038 1.00 0.00 C ATOM 733 CG2 ILE A 51 2.011 -2.673 3.309 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.168 -2.585 0.958 1.00 0.00 C ATOM 0 H ILE A 51 5.722 -1.397 4.463 1.00 0.00 H new ATOM 0 HA ILE A 51 2.989 -0.327 4.343 1.00 0.00 H new ATOM 0 HB ILE A 51 4.095 -3.058 3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.075 -0.908 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.753 -0.950 2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.898 -3.386 2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.747 -3.154 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.353 -1.821 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.455 -2.069 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.984 -3.231 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.280 -3.188 0.771 1.00 0.00 H new ATOM 746 N HIS A 52 2.133 -1.405 6.407 1.00 0.00 N ATOM 747 CA HIS A 52 1.649 -1.960 7.666 1.00 0.00 C ATOM 748 C HIS A 52 0.391 -2.794 7.444 1.00 0.00 C ATOM 749 O HIS A 52 -0.629 -2.288 6.975 1.00 0.00 O ATOM 750 CB HIS A 52 1.360 -0.838 8.664 1.00 0.00 C ATOM 751 CG HIS A 52 2.560 -0.004 8.991 1.00 0.00 C ATOM 752 ND1 HIS A 52 3.103 0.070 10.256 1.00 0.00 N ATOM 753 CD2 HIS A 52 3.324 0.793 8.208 1.00 0.00 C ATOM 754 CE1 HIS A 52 4.148 0.878 10.238 1.00 0.00 C ATOM 755 NE2 HIS A 52 4.304 1.330 9.007 1.00 0.00 N ATOM 0 H HIS A 52 1.551 -0.662 6.021 1.00 0.00 H new ATOM 0 HA HIS A 52 2.426 -2.607 8.072 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.580 -0.194 8.258 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.968 -1.273 9.584 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.188 0.973 7.152 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.769 1.127 11.086 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.033 1.973 8.699 1.00 0.00 H new ATOM 763 N PHE A 53 0.470 -4.077 7.781 1.00 0.00 N ATOM 764 CA PHE A 53 -0.660 -4.983 7.617 1.00 0.00 C ATOM 765 C PHE A 53 -1.326 -5.272 8.960 1.00 0.00 C ATOM 766 O PHE A 53 -0.665 -5.476 9.977 1.00 0.00 O ATOM 767 CB PHE A 53 -0.203 -6.292 6.970 1.00 0.00 C ATOM 768 CG PHE A 53 -0.165 -6.236 5.470 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.322 -6.405 4.726 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.030 -6.017 4.802 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.288 -6.355 3.345 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.069 -5.966 3.421 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.092 -6.135 2.692 1.00 0.00 C ATOM 0 H PHE A 53 1.306 -4.513 8.170 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.389 -4.499 6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.790 -6.545 7.342 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.873 -7.094 7.279 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.261 -6.578 5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.941 -5.885 5.367 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.197 -6.488 2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.006 -5.794 2.913 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.064 -6.095 1.613 1.00 0.00 H new ATOM 783 N PRO A 54 -2.667 -5.289 8.963 1.00 0.00 N ATOM 784 CA PRO A 54 -3.452 -5.551 10.172 1.00 0.00 C ATOM 785 C PRO A 54 -3.335 -6.999 10.637 1.00 0.00 C ATOM 786 O PRO A 54 -2.917 -7.873 9.878 1.00 0.00 O ATOM 787 CB PRO A 54 -4.887 -5.243 9.738 1.00 0.00 C ATOM 788 CG PRO A 54 -4.890 -5.454 8.263 1.00 0.00 C ATOM 789 CD PRO A 54 -3.521 -5.054 7.786 1.00 0.00 C ATOM 0 HA PRO A 54 -3.110 -4.953 11.017 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.600 -5.901 10.234 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.167 -4.221 9.992 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.100 -6.495 8.018 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.662 -4.852 7.784 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.202 -5.652 6.932 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.494 -4.011 7.472 1.00 0.00 H new ATOM 797 N VAL A 55 -3.707 -7.246 11.889 1.00 0.00 N ATOM 798 CA VAL A 55 -3.646 -8.588 12.455 1.00 0.00 C ATOM 799 C VAL A 55 -4.918 -9.371 12.152 1.00 0.00 C ATOM 800 O VAL A 55 -6.026 -8.864 12.326 1.00 0.00 O ATOM 801 CB VAL A 55 -3.432 -8.546 13.979 1.00 0.00 C ATOM 802 CG1 VAL A 55 -3.326 -9.955 14.543 1.00 0.00 C ATOM 803 CG2 VAL A 55 -2.195 -7.731 14.321 1.00 0.00 C ATOM 0 H VAL A 55 -4.054 -6.533 12.531 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.796 -9.088 11.991 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.295 -8.062 14.436 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.175 -9.905 15.621 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.244 -10.502 14.330 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.483 -10.469 14.082 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.059 -7.712 15.402 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.320 -8.183 13.853 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.317 -6.712 13.953 1.00 0.00 H new ATOM 813 N GLU A 56 -4.751 -10.610 11.700 1.00 0.00 N ATOM 814 CA GLU A 56 -5.888 -11.463 11.372 1.00 0.00 C ATOM 815 C GLU A 56 -6.910 -11.465 12.505 1.00 0.00 C ATOM 816 O GLU A 56 -8.114 -11.362 12.270 1.00 0.00 O ATOM 817 CB GLU A 56 -5.417 -12.893 11.093 1.00 0.00 C ATOM 818 CG GLU A 56 -4.693 -13.534 12.265 1.00 0.00 C ATOM 819 CD GLU A 56 -4.365 -14.995 12.018 1.00 0.00 C ATOM 820 OE1 GLU A 56 -5.284 -15.753 11.646 1.00 0.00 O ATOM 821 OE2 GLU A 56 -3.191 -15.378 12.198 1.00 0.00 O ATOM 0 H GLU A 56 -3.840 -11.045 11.553 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.364 -11.063 10.477 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.279 -13.506 10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.755 -12.886 10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.771 -12.986 12.462 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.311 -13.450 13.159 1.00 0.00 H new ATOM 828 N GLY A 57 -6.422 -11.583 13.735 1.00 0.00 N ATOM 829 CA GLY A 57 -7.306 -11.597 14.886 1.00 0.00 C ATOM 830 C GLY A 57 -8.116 -10.322 15.010 1.00 0.00 C ATOM 831 O GLY A 57 -9.343 -10.364 15.091 1.00 0.00 O ATOM 0 H GLY A 57 -5.430 -11.669 13.956 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.983 -12.448 14.810 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.716 -11.739 15.792 1.00 0.00 H new ATOM 835 N SER A 58 -7.429 -9.184 15.026 1.00 0.00 N ATOM 836 CA SER A 58 -8.091 -7.891 15.146 1.00 0.00 C ATOM 837 C SER A 58 -9.329 -7.831 14.254 1.00 0.00 C ATOM 838 O SER A 58 -10.376 -7.328 14.660 1.00 0.00 O ATOM 839 CB SER A 58 -7.127 -6.763 14.776 1.00 0.00 C ATOM 840 OG SER A 58 -6.166 -6.559 15.797 1.00 0.00 O ATOM 0 H SER A 58 -6.413 -9.132 14.957 1.00 0.00 H new ATOM 0 HA SER A 58 -8.404 -7.765 16.183 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.623 -7.004 13.840 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.686 -5.842 14.609 1.00 0.00 H new ATOM 0 HG SER A 58 -5.560 -5.834 15.536 1.00 0.00 H new ATOM 846 N GLY A 59 -9.199 -8.346 13.036 1.00 0.00 N ATOM 847 CA GLY A 59 -10.312 -8.340 12.105 1.00 0.00 C ATOM 848 C GLY A 59 -10.360 -7.080 11.265 1.00 0.00 C ATOM 849 O GLY A 59 -11.425 -6.495 11.071 1.00 0.00 O ATOM 0 H GLY A 59 -8.342 -8.768 12.677 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.237 -9.207 11.449 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.245 -8.439 12.659 1.00 0.00 H new ATOM 853 N SER A 60 -9.201 -6.659 10.766 1.00 0.00 N ATOM 854 CA SER A 60 -9.114 -5.457 9.946 1.00 0.00 C ATOM 855 C SER A 60 -8.498 -5.770 8.586 1.00 0.00 C ATOM 856 O SER A 60 -7.357 -6.223 8.499 1.00 0.00 O ATOM 857 CB SER A 60 -8.285 -4.386 10.659 1.00 0.00 C ATOM 858 OG SER A 60 -8.213 -3.199 9.889 1.00 0.00 O ATOM 0 H SER A 60 -8.310 -7.133 10.916 1.00 0.00 H new ATOM 0 HA SER A 60 -10.125 -5.080 9.790 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.728 -4.166 11.631 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.280 -4.764 10.845 1.00 0.00 H new ATOM 0 HG SER A 60 -7.680 -2.531 10.367 1.00 0.00 H new ATOM 864 N ASP A 61 -9.263 -5.526 7.527 1.00 0.00 N ATOM 865 CA ASP A 61 -8.793 -5.780 6.171 1.00 0.00 C ATOM 866 C ASP A 61 -8.309 -4.492 5.512 1.00 0.00 C ATOM 867 O ASP A 61 -8.522 -4.274 4.318 1.00 0.00 O ATOM 868 CB ASP A 61 -9.907 -6.410 5.332 1.00 0.00 C ATOM 869 CG ASP A 61 -10.675 -7.472 6.094 1.00 0.00 C ATOM 870 OD1 ASP A 61 -10.098 -8.066 7.028 1.00 0.00 O ATOM 871 OD2 ASP A 61 -11.854 -7.710 5.755 1.00 0.00 O ATOM 0 H ASP A 61 -10.211 -5.153 7.582 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.954 -6.474 6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.596 -5.631 5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.476 -6.852 4.434 1.00 0.00 H new ATOM 876 N THR A 62 -7.661 -3.639 6.298 1.00 0.00 N ATOM 877 CA THR A 62 -7.149 -2.372 5.792 1.00 0.00 C ATOM 878 C THR A 62 -5.631 -2.300 5.920 1.00 0.00 C ATOM 879 O THR A 62 -5.075 -2.559 6.988 1.00 0.00 O ATOM 880 CB THR A 62 -7.772 -1.177 6.539 1.00 0.00 C ATOM 881 OG1 THR A 62 -9.193 -1.173 6.359 1.00 0.00 O ATOM 882 CG2 THR A 62 -7.189 0.137 6.040 1.00 0.00 C ATOM 0 H THR A 62 -7.478 -3.803 7.288 1.00 0.00 H new ATOM 0 HA THR A 62 -7.425 -2.318 4.739 1.00 0.00 H new ATOM 0 HB THR A 62 -7.541 -1.280 7.599 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.581 -0.411 6.838 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.644 0.966 6.582 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.112 0.143 6.205 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.393 0.244 4.975 1.00 0.00 H new ATOM 890 N VAL A 63 -4.965 -1.948 4.825 1.00 0.00 N ATOM 891 CA VAL A 63 -3.511 -1.842 4.816 1.00 0.00 C ATOM 892 C VAL A 63 -3.067 -0.385 4.871 1.00 0.00 C ATOM 893 O VAL A 63 -3.414 0.416 4.002 1.00 0.00 O ATOM 894 CB VAL A 63 -2.908 -2.503 3.562 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.390 -2.426 3.595 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.374 -3.947 3.446 1.00 0.00 C ATOM 0 H VAL A 63 -5.409 -1.731 3.933 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.150 -2.364 5.702 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.256 -1.960 2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.982 -2.898 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.079 -1.382 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.019 -2.943 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.939 -4.399 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.056 -4.504 4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.461 -3.974 3.372 1.00 0.00 H new ATOM 906 N VAL A 64 -2.296 -0.045 5.899 1.00 0.00 N ATOM 907 CA VAL A 64 -1.802 1.316 6.068 1.00 0.00 C ATOM 908 C VAL A 64 -0.362 1.442 5.586 1.00 0.00 C ATOM 909 O VAL A 64 0.551 0.853 6.165 1.00 0.00 O ATOM 910 CB VAL A 64 -1.880 1.762 7.540 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.360 3.184 7.695 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.306 1.648 8.057 1.00 0.00 C ATOM 0 H VAL A 64 -2.000 -0.694 6.628 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.441 1.962 5.466 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.249 1.102 8.135 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.423 3.482 8.742 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.322 3.230 7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.963 3.860 7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.342 1.967 9.099 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.961 2.282 7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.638 0.612 7.983 1.00 0.00 H new ATOM 922 N ILE A 65 -0.165 2.213 4.522 1.00 0.00 N ATOM 923 CA ILE A 65 1.166 2.417 3.963 1.00 0.00 C ATOM 924 C ILE A 65 1.704 3.800 4.315 1.00 0.00 C ATOM 925 O ILE A 65 0.952 4.772 4.380 1.00 0.00 O ATOM 926 CB ILE A 65 1.163 2.255 2.430 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.628 0.875 2.043 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.564 2.461 1.874 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.309 0.743 0.570 1.00 0.00 C ATOM 0 H ILE A 65 -0.910 2.707 4.030 1.00 0.00 H new ATOM 0 HA ILE A 65 1.812 1.656 4.400 1.00 0.00 H new ATOM 0 HB ILE A 65 0.507 3.012 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.364 0.119 2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.272 0.668 2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.546 2.344 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.911 3.463 2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.240 1.724 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.065 -0.260 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.450 1.476 0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.212 0.918 -0.015 1.00 0.00 H new ATOM 941 N ARG A 66 3.012 3.879 4.541 1.00 0.00 N ATOM 942 CA ARG A 66 3.652 5.143 4.886 1.00 0.00 C ATOM 943 C ARG A 66 4.871 5.394 4.003 1.00 0.00 C ATOM 944 O ARG A 66 5.581 4.462 3.628 1.00 0.00 O ATOM 945 CB ARG A 66 4.066 5.143 6.358 1.00 0.00 C ATOM 946 CG ARG A 66 2.992 5.676 7.294 1.00 0.00 C ATOM 947 CD ARG A 66 3.195 5.178 8.716 1.00 0.00 C ATOM 948 NE ARG A 66 4.421 5.706 9.311 1.00 0.00 N ATOM 949 CZ ARG A 66 4.610 5.823 10.620 1.00 0.00 C ATOM 950 NH1 ARG A 66 3.660 5.453 11.467 1.00 0.00 N ATOM 951 NH2 ARG A 66 5.752 6.312 11.085 1.00 0.00 N ATOM 0 H ARG A 66 3.648 3.083 4.491 1.00 0.00 H new ATOM 0 HA ARG A 66 2.932 5.944 4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.322 4.126 6.654 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.967 5.745 6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.007 6.766 7.283 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.010 5.367 6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.341 5.469 9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.231 4.089 8.717 1.00 0.00 H new ATOM 0 HE ARG A 66 5.172 6.001 8.687 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.780 5.077 11.114 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.809 5.544 12.472 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.486 6.598 10.437 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.896 6.402 12.091 1.00 0.00 H new ATOM 965 N GLY A 67 5.106 6.661 3.674 1.00 0.00 N ATOM 966 CA GLY A 67 6.239 7.012 2.839 1.00 0.00 C ATOM 967 C GLY A 67 5.943 8.184 1.924 1.00 0.00 C ATOM 968 O GLY A 67 4.898 8.827 2.021 1.00 0.00 O ATOM 0 H GLY A 67 4.532 7.450 3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.092 7.256 3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.525 6.149 2.238 1.00 0.00 H new ATOM 972 N PRO A 68 6.881 8.480 1.012 1.00 0.00 N ATOM 973 CA PRO A 68 6.739 9.585 0.060 1.00 0.00 C ATOM 974 C PRO A 68 5.666 9.313 -0.988 1.00 0.00 C ATOM 975 O PRO A 68 5.803 8.408 -1.811 1.00 0.00 O ATOM 976 CB PRO A 68 8.119 9.667 -0.597 1.00 0.00 C ATOM 977 CG PRO A 68 8.687 8.297 -0.458 1.00 0.00 C ATOM 978 CD PRO A 68 8.152 7.757 0.839 1.00 0.00 C ATOM 0 HA PRO A 68 6.430 10.508 0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.042 9.959 -1.644 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.748 10.408 -0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.391 7.665 -1.295 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.777 8.325 -0.449 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.998 6.679 0.792 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.837 7.945 1.666 1.00 0.00 H new ATOM 986 N SER A 69 4.597 10.103 -0.953 1.00 0.00 N ATOM 987 CA SER A 69 3.497 9.944 -1.899 1.00 0.00 C ATOM 988 C SER A 69 4.016 9.502 -3.264 1.00 0.00 C ATOM 989 O SER A 69 3.561 8.502 -3.818 1.00 0.00 O ATOM 990 CB SER A 69 2.722 11.255 -2.035 1.00 0.00 C ATOM 991 OG SER A 69 3.601 12.365 -2.093 1.00 0.00 O ATOM 0 H SER A 69 4.469 10.859 -0.280 1.00 0.00 H new ATOM 0 HA SER A 69 2.828 9.173 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.108 11.226 -2.935 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.043 11.369 -1.190 1.00 0.00 H new ATOM 0 HG SER A 69 3.080 13.190 -2.182 1.00 0.00 H new ATOM 997 N SER A 70 4.970 10.255 -3.801 1.00 0.00 N ATOM 998 CA SER A 70 5.548 9.945 -5.103 1.00 0.00 C ATOM 999 C SER A 70 5.728 8.439 -5.272 1.00 0.00 C ATOM 1000 O SER A 70 5.339 7.867 -6.290 1.00 0.00 O ATOM 1001 CB SER A 70 6.894 10.653 -5.269 1.00 0.00 C ATOM 1002 OG SER A 70 6.734 12.061 -5.260 1.00 0.00 O ATOM 0 H SER A 70 5.359 11.085 -3.354 1.00 0.00 H new ATOM 0 HA SER A 70 4.862 10.300 -5.872 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.567 10.355 -4.465 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.359 10.343 -6.205 1.00 0.00 H new ATOM 0 HG SER A 70 7.609 12.490 -5.366 1.00 0.00 H new ATOM 1008 N ASP A 71 6.320 7.804 -4.267 1.00 0.00 N ATOM 1009 CA ASP A 71 6.552 6.365 -4.302 1.00 0.00 C ATOM 1010 C ASP A 71 5.299 5.602 -3.882 1.00 0.00 C ATOM 1011 O ASP A 71 4.915 4.621 -4.518 1.00 0.00 O ATOM 1012 CB ASP A 71 7.721 5.992 -3.389 1.00 0.00 C ATOM 1013 CG ASP A 71 9.005 6.701 -3.773 1.00 0.00 C ATOM 1014 OD1 ASP A 71 9.071 7.938 -3.612 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.944 6.020 -4.235 1.00 0.00 O ATOM 0 H ASP A 71 6.648 8.263 -3.417 1.00 0.00 H new ATOM 0 HA ASP A 71 6.799 6.087 -5.327 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.467 6.240 -2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.879 4.914 -3.428 1.00 0.00 H new ATOM 1020 N VAL A 72 4.667 6.060 -2.806 1.00 0.00 N ATOM 1021 CA VAL A 72 3.457 5.422 -2.301 1.00 0.00 C ATOM 1022 C VAL A 72 2.518 5.046 -3.441 1.00 0.00 C ATOM 1023 O VAL A 72 1.987 3.936 -3.479 1.00 0.00 O ATOM 1024 CB VAL A 72 2.709 6.338 -1.314 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.448 5.658 -0.806 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.617 6.729 -0.158 1.00 0.00 C ATOM 0 H VAL A 72 4.973 6.870 -2.267 1.00 0.00 H new ATOM 0 HA VAL A 72 3.770 4.518 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 72 2.416 7.247 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.933 6.320 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.792 5.434 -1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.714 4.732 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.072 7.376 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.942 5.832 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.488 7.260 -0.543 1.00 0.00 H new ATOM 1036 N GLU A 73 2.316 5.978 -4.367 1.00 0.00 N ATOM 1037 CA GLU A 73 1.439 5.744 -5.508 1.00 0.00 C ATOM 1038 C GLU A 73 1.865 4.495 -6.274 1.00 0.00 C ATOM 1039 O GLU A 73 1.029 3.749 -6.784 1.00 0.00 O ATOM 1040 CB GLU A 73 1.445 6.955 -6.442 1.00 0.00 C ATOM 1041 CG GLU A 73 2.672 7.030 -7.334 1.00 0.00 C ATOM 1042 CD GLU A 73 2.499 6.260 -8.630 1.00 0.00 C ATOM 1043 OE1 GLU A 73 1.632 5.363 -8.673 1.00 0.00 O ATOM 1044 OE2 GLU A 73 3.230 6.557 -9.598 1.00 0.00 O ATOM 0 H GLU A 73 2.748 6.902 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 73 0.428 5.591 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.553 6.925 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.385 7.864 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.888 8.074 -7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.534 6.637 -6.794 1.00 0.00 H new ATOM 1051 N LYS A 74 3.173 4.273 -6.352 1.00 0.00 N ATOM 1052 CA LYS A 74 3.714 3.116 -7.055 1.00 0.00 C ATOM 1053 C LYS A 74 3.549 1.849 -6.223 1.00 0.00 C ATOM 1054 O LYS A 74 3.187 0.795 -6.745 1.00 0.00 O ATOM 1055 CB LYS A 74 5.193 3.337 -7.381 1.00 0.00 C ATOM 1056 CG LYS A 74 5.436 4.460 -8.373 1.00 0.00 C ATOM 1057 CD LYS A 74 6.910 4.819 -8.459 1.00 0.00 C ATOM 1058 CE LYS A 74 7.279 5.335 -9.841 1.00 0.00 C ATOM 1059 NZ LYS A 74 8.665 5.877 -9.879 1.00 0.00 N ATOM 0 H LYS A 74 3.879 4.881 -5.936 1.00 0.00 H new ATOM 0 HA LYS A 74 3.158 2.994 -7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.731 3.556 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.610 2.413 -7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.075 4.162 -9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.863 5.339 -8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.145 5.577 -7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.513 3.942 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.185 4.528 -10.567 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.576 6.114 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.878 6.219 -10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.749 6.664 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.338 5.127 -9.621 1.00 0.00 H new ATOM 1073 N ALA A 75 3.815 1.959 -4.926 1.00 0.00 N ATOM 1074 CA ALA A 75 3.693 0.822 -4.022 1.00 0.00 C ATOM 1075 C ALA A 75 2.264 0.291 -3.998 1.00 0.00 C ATOM 1076 O ALA A 75 2.040 -0.919 -3.960 1.00 0.00 O ATOM 1077 CB ALA A 75 4.137 1.213 -2.619 1.00 0.00 C ATOM 0 H ALA A 75 4.116 2.824 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 75 4.342 0.027 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.041 0.354 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.177 1.538 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.511 2.027 -2.253 1.00 0.00 H new ATOM 1083 N LYS A 76 1.298 1.203 -4.019 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.111 0.828 -4.000 1.00 0.00 C ATOM 1085 C LYS A 76 -0.486 0.060 -5.264 1.00 0.00 C ATOM 1086 O LYS A 76 -0.953 -1.078 -5.197 1.00 0.00 O ATOM 1087 CB LYS A 76 -0.990 2.073 -3.867 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.478 1.768 -3.851 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.308 3.029 -4.029 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.769 2.787 -3.683 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.470 4.052 -3.326 1.00 0.00 N ATOM 0 H LYS A 76 1.466 2.209 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.277 0.180 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.725 2.598 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.775 2.749 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.714 1.061 -4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.742 1.288 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.909 3.821 -3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.229 3.375 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.271 2.320 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.834 2.088 -2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.463 3.846 -3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.007 4.485 -2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.430 4.710 -4.130 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.277 0.688 -6.417 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.591 0.064 -7.696 1.00 0.00 C ATOM 1107 C LYS A 77 0.024 -1.329 -7.787 1.00 0.00 C ATOM 1108 O LYS A 77 -0.512 -2.211 -8.458 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.083 0.933 -8.849 1.00 0.00 C ATOM 1110 CG LYS A 77 1.415 0.829 -9.074 1.00 0.00 C ATOM 1111 CD LYS A 77 1.792 1.206 -10.498 1.00 0.00 C ATOM 1112 CE LYS A 77 3.296 1.381 -10.647 1.00 0.00 C ATOM 1113 NZ LYS A 77 3.651 2.047 -11.931 1.00 0.00 N ATOM 0 H LYS A 77 0.109 1.629 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.674 -0.030 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.600 0.646 -9.765 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.341 1.973 -8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.935 1.482 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.745 -0.189 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.444 0.434 -11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.287 2.131 -10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.678 1.971 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.782 0.407 -10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.684 2.148 -11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.309 1.471 -12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.208 2.987 -11.968 1.00 0.00 H new ATOM 1127 N GLN A 78 1.150 -1.520 -7.106 1.00 0.00 N ATOM 1128 CA GLN A 78 1.836 -2.806 -7.110 1.00 0.00 C ATOM 1129 C GLN A 78 1.105 -3.816 -6.230 1.00 0.00 C ATOM 1130 O GLN A 78 0.934 -4.976 -6.608 1.00 0.00 O ATOM 1131 CB GLN A 78 3.277 -2.641 -6.629 1.00 0.00 C ATOM 1132 CG GLN A 78 4.224 -2.136 -7.704 1.00 0.00 C ATOM 1133 CD GLN A 78 5.679 -2.200 -7.279 1.00 0.00 C ATOM 1134 OE1 GLN A 78 6.413 -3.108 -7.672 1.00 0.00 O ATOM 1135 NE2 GLN A 78 6.103 -1.235 -6.472 1.00 0.00 N ATOM 0 H GLN A 78 1.606 -0.800 -6.545 1.00 0.00 H new ATOM 0 HA GLN A 78 1.844 -3.182 -8.133 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.293 -1.948 -5.788 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.639 -3.600 -6.259 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.088 -2.727 -8.609 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.968 -1.107 -7.954 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.460 -0.502 -6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.072 -1.226 -6.153 1.00 0.00 H new ATOM 1144 N LEU A 79 0.675 -3.367 -5.057 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.037 -4.232 -4.121 1.00 0.00 C ATOM 1146 C LEU A 79 -1.395 -4.640 -4.685 1.00 0.00 C ATOM 1147 O LEU A 79 -1.784 -5.807 -4.609 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.221 -3.521 -2.779 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.264 -4.421 -1.544 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.134 -4.618 -0.978 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.191 -3.836 -0.489 1.00 0.00 C ATOM 0 H LEU A 79 0.806 -2.410 -4.730 1.00 0.00 H new ATOM 0 HA LEU A 79 0.558 -5.132 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.592 -2.806 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.147 -2.947 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.654 -5.394 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.084 -5.261 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.770 -5.083 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.552 -3.652 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.209 -4.490 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.831 -2.850 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.198 -3.748 -0.898 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.110 -3.674 -5.249 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.424 -3.934 -5.829 1.00 0.00 C ATOM 1165 C LEU A 80 -3.319 -4.898 -7.005 1.00 0.00 C ATOM 1166 O LEU A 80 -4.101 -5.843 -7.119 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.070 -2.624 -6.282 1.00 0.00 C ATOM 1168 CG LEU A 80 -4.934 -1.906 -5.245 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.060 -1.180 -4.234 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -5.887 -0.934 -5.924 1.00 0.00 C ATOM 0 H LEU A 80 -1.803 -2.704 -5.318 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.049 -4.394 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.280 -1.944 -6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.685 -2.830 -7.158 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.526 -2.652 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.692 -0.675 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.419 -1.899 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.442 -0.445 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.494 -0.433 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.314 -0.192 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.537 -1.480 -6.608 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.348 -4.654 -7.880 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.140 -5.502 -9.047 1.00 0.00 C ATOM 1184 C HIS A 81 -1.918 -6.954 -8.632 1.00 0.00 C ATOM 1185 O HIS A 81 -2.602 -7.859 -9.112 1.00 0.00 O ATOM 1186 CB HIS A 81 -0.944 -5.005 -9.859 1.00 0.00 C ATOM 1187 CG HIS A 81 -0.964 -5.449 -11.289 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.027 -5.217 -12.135 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.040 -6.116 -12.022 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.758 -5.722 -13.326 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.558 -6.274 -13.283 1.00 0.00 N ATOM 0 H HIS A 81 -1.693 -3.876 -7.802 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.036 -5.451 -9.665 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -0.920 -3.916 -9.826 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.025 -5.358 -9.390 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.924 -6.459 -11.678 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.408 -5.689 -14.188 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.092 -6.742 -14.061 1.00 0.00 H new ATOM 1199 N LEU A 82 -0.960 -7.169 -7.738 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.647 -8.510 -7.258 1.00 0.00 C ATOM 1201 C LEU A 82 -1.846 -9.125 -6.543 1.00 0.00 C ATOM 1202 O LEU A 82 -2.381 -10.147 -6.973 1.00 0.00 O ATOM 1203 CB LEU A 82 0.558 -8.468 -6.316 1.00 0.00 C ATOM 1204 CG LEU A 82 1.833 -7.849 -6.885 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.814 -7.524 -5.769 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.472 -8.783 -7.904 1.00 0.00 C ATOM 0 H LEU A 82 -0.386 -6.431 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.404 -9.131 -8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.276 -7.912 -5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.782 -9.487 -6.000 1.00 0.00 H new ATOM 0 HG LEU A 82 1.568 -6.920 -7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.716 -7.084 -6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.357 -6.817 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.073 -8.438 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.379 -8.325 -8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.722 -9.729 -7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.773 -8.964 -8.720 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.264 -8.495 -5.450 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.402 -8.978 -4.678 1.00 0.00 C ATOM 1220 C ALA A 83 -4.467 -9.578 -5.588 1.00 0.00 C ATOM 1221 O ALA A 83 -4.887 -10.720 -5.398 1.00 0.00 O ATOM 1222 CB ALA A 83 -3.991 -7.849 -3.844 1.00 0.00 C ATOM 0 H ALA A 83 -1.831 -7.649 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.050 -9.763 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.840 -8.224 -3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.233 -7.468 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.323 -7.046 -4.502 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.902 -8.802 -6.576 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.921 -9.259 -7.514 1.00 0.00 C ATOM 1230 C GLU A 84 -5.403 -10.421 -8.356 1.00 0.00 C ATOM 1231 O GLU A 84 -6.104 -11.411 -8.564 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.358 -8.110 -8.425 1.00 0.00 C ATOM 1233 CG GLU A 84 -7.117 -7.012 -7.698 1.00 0.00 C ATOM 1234 CD GLU A 84 -8.483 -7.466 -7.221 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -9.371 -7.676 -8.073 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -8.664 -7.610 -5.993 1.00 0.00 O ATOM 0 H GLU A 84 -4.565 -7.855 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.780 -9.604 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.477 -7.678 -8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.986 -8.508 -9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.531 -6.675 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.234 -6.155 -8.362 1.00 0.00 H new ATOM 1243 N GLU A 85 -4.171 -10.292 -8.839 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.560 -11.332 -9.659 1.00 0.00 C ATOM 1245 C GLU A 85 -3.584 -12.677 -8.940 1.00 0.00 C ATOM 1246 O GLU A 85 -4.096 -13.666 -9.465 1.00 0.00 O ATOM 1247 CB GLU A 85 -2.119 -10.954 -10.010 1.00 0.00 C ATOM 1248 CG GLU A 85 -1.995 -10.157 -11.298 1.00 0.00 C ATOM 1249 CD GLU A 85 -2.795 -10.761 -12.437 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -2.964 -11.999 -12.451 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -3.249 -9.997 -13.314 1.00 0.00 O ATOM 0 H GLU A 85 -3.577 -9.479 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.139 -11.421 -10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.695 -10.373 -9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.525 -11.864 -10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.333 -9.136 -11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.945 -10.100 -11.586 1.00 0.00 H new ATOM 1258 N LYS A 86 -3.024 -12.707 -7.735 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.981 -13.930 -6.942 1.00 0.00 C ATOM 1260 C LYS A 86 -4.280 -14.715 -7.082 1.00 0.00 C ATOM 1261 O LYS A 86 -4.263 -15.931 -7.275 1.00 0.00 O ATOM 1262 CB LYS A 86 -2.729 -13.598 -5.469 1.00 0.00 C ATOM 1263 CG LYS A 86 -1.361 -12.993 -5.207 1.00 0.00 C ATOM 1264 CD LYS A 86 -0.250 -14.002 -5.445 1.00 0.00 C ATOM 1265 CE LYS A 86 1.123 -13.356 -5.335 1.00 0.00 C ATOM 1266 NZ LYS A 86 1.532 -13.158 -3.916 1.00 0.00 N ATOM 0 H LYS A 86 -2.594 -11.898 -7.286 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.163 -14.547 -7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.496 -12.904 -5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.834 -14.507 -4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.214 -12.129 -5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.312 -12.633 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.331 -14.812 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.366 -14.446 -6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.859 -13.980 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.114 -12.394 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.473 -12.716 -3.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.843 -12.542 -3.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.566 -14.078 -3.433 1.00 0.00 H new