USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 171:sc= 0.239 USER MOD Single : A 32 GLN :FLIP amide:sc= -3.22 F(o=-4.3!,f=-3.2) USER MOD Single : A 34 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.21) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 130:sc= 1.66 USER MOD Single : A 61 CYS SG : rot 150:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0753 X(o=-0.075,f=-0.28) USER MOD Single : A 71 MET CE :methyl 146:sc= -0.408 (180deg=-1.64!) USER MOD Single : A 74 ASN : amide:sc= -3.35 K(o=-3.3,f=-7.9!) USER MOD Single : A 78 THR OG1 : rot 62:sc= 1.09 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0782 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0559 K(o=-0.056,f=-0.9) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.0862 F(o=-0.88,f=-0.086) USER MOD Single : A 93 SER OG : rot 48:sc= 1.02 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -24:sc= 0.615 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.116) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.052 -11.915 -2.386 1.00 0.00 N ATOM 133 CA HIS A 13 12.889 -11.077 -1.210 1.00 0.00 C ATOM 134 C HIS A 13 11.979 -9.894 -1.546 1.00 0.00 C ATOM 135 O HIS A 13 11.732 -9.609 -2.717 1.00 0.00 O ATOM 136 CB HIS A 13 14.249 -10.641 -0.661 1.00 0.00 C ATOM 137 CG HIS A 13 15.074 -9.833 -1.634 1.00 0.00 C ATOM 138 ND1 HIS A 13 15.830 -10.414 -2.638 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.254 -8.486 -1.747 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.433 -9.450 -3.318 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.076 -8.256 -2.764 1.00 0.00 N ATOM 0 HA HIS A 13 12.408 -11.648 -0.416 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.093 -10.052 0.243 1.00 0.00 H new ATOM 0 HB3 HIS A 13 14.813 -11.527 -0.371 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.804 -7.734 -1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.092 -9.586 -4.163 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.389 -7.338 -3.079 1.00 0.00 H new ATOM 149 N THR A 14 11.504 -9.237 -0.498 1.00 0.00 N ATOM 150 CA THR A 14 10.626 -8.092 -0.667 1.00 0.00 C ATOM 151 C THR A 14 11.115 -6.916 0.181 1.00 0.00 C ATOM 152 O THR A 14 11.603 -7.108 1.294 1.00 0.00 O ATOM 153 CB THR A 14 9.201 -8.534 -0.328 1.00 0.00 C ATOM 154 OG1 THR A 14 9.373 -9.494 0.710 1.00 0.00 O ATOM 155 CG2 THR A 14 8.549 -9.326 -1.463 1.00 0.00 C ATOM 0 H THR A 14 11.711 -9.476 0.472 1.00 0.00 H new ATOM 0 HA THR A 14 10.635 -7.736 -1.697 1.00 0.00 H new ATOM 0 HB THR A 14 8.594 -7.658 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.497 -9.832 0.991 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.539 -9.616 -1.171 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.504 -8.707 -2.359 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.138 -10.220 -1.668 1.00 0.00 H new ATOM 163 N GLU A 15 10.967 -5.723 -0.377 1.00 0.00 N ATOM 164 CA GLU A 15 11.387 -4.516 0.314 1.00 0.00 C ATOM 165 C GLU A 15 10.195 -3.578 0.515 1.00 0.00 C ATOM 166 O GLU A 15 9.233 -3.617 -0.251 1.00 0.00 O ATOM 167 CB GLU A 15 12.515 -3.814 -0.445 1.00 0.00 C ATOM 168 CG GLU A 15 13.845 -4.544 -0.247 1.00 0.00 C ATOM 169 CD GLU A 15 15.027 -3.630 -0.582 1.00 0.00 C ATOM 170 OE1 GLU A 15 15.081 -2.532 0.013 1.00 0.00 O ATOM 171 OE2 GLU A 15 15.848 -4.051 -1.424 1.00 0.00 O ATOM 0 H GLU A 15 10.562 -5.567 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 15 11.773 -4.797 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.273 -3.773 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.606 -2.785 -0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.926 -4.886 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.875 -5.431 -0.880 1.00 0.00 H new ATOM 178 N THR A 16 10.298 -2.756 1.550 1.00 0.00 N ATOM 179 CA THR A 16 9.241 -1.809 1.862 1.00 0.00 C ATOM 180 C THR A 16 9.690 -0.383 1.538 1.00 0.00 C ATOM 181 O THR A 16 10.878 -0.073 1.604 1.00 0.00 O ATOM 182 CB THR A 16 8.847 -2.005 3.327 1.00 0.00 C ATOM 183 OG1 THR A 16 9.987 -2.630 3.912 1.00 0.00 O ATOM 184 CG2 THR A 16 7.728 -3.034 3.501 1.00 0.00 C ATOM 0 H THR A 16 11.097 -2.727 2.183 1.00 0.00 H new ATOM 0 HA THR A 16 8.358 -1.985 1.248 1.00 0.00 H new ATOM 0 HB THR A 16 8.531 -1.051 3.748 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.819 -2.792 4.864 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.487 -3.134 4.559 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.843 -2.704 2.957 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.056 -3.997 3.111 1.00 0.00 H new ATOM 192 N THR A 17 8.715 0.447 1.196 1.00 0.00 N ATOM 193 CA THR A 17 8.995 1.833 0.863 1.00 0.00 C ATOM 194 C THR A 17 8.092 2.768 1.669 1.00 0.00 C ATOM 195 O THR A 17 6.985 2.391 2.051 1.00 0.00 O ATOM 196 CB THR A 17 8.842 1.995 -0.651 1.00 0.00 C ATOM 197 OG1 THR A 17 9.123 3.373 -0.882 1.00 0.00 O ATOM 198 CG2 THR A 17 7.394 1.828 -1.114 1.00 0.00 C ATOM 0 H THR A 17 7.730 0.186 1.142 1.00 0.00 H new ATOM 0 HA THR A 17 10.015 2.107 1.132 1.00 0.00 H new ATOM 0 HB THR A 17 9.472 1.266 -1.160 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.048 3.566 -1.840 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.341 1.952 -2.196 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.039 0.833 -0.845 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.769 2.579 -0.631 1.00 0.00 H new ATOM 206 N GLU A 18 8.597 3.971 1.903 1.00 0.00 N ATOM 207 CA GLU A 18 7.850 4.963 2.656 1.00 0.00 C ATOM 208 C GLU A 18 7.275 6.023 1.714 1.00 0.00 C ATOM 209 O GLU A 18 8.011 6.639 0.945 1.00 0.00 O ATOM 210 CB GLU A 18 8.724 5.604 3.736 1.00 0.00 C ATOM 211 CG GLU A 18 8.113 6.919 4.226 1.00 0.00 C ATOM 212 CD GLU A 18 8.907 7.486 5.405 1.00 0.00 C ATOM 213 OE1 GLU A 18 9.462 6.663 6.164 1.00 0.00 O ATOM 214 OE2 GLU A 18 8.941 8.731 5.519 1.00 0.00 O ATOM 0 H GLU A 18 9.515 4.280 1.584 1.00 0.00 H new ATOM 0 HA GLU A 18 7.021 4.462 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.836 4.916 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.722 5.788 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.098 7.643 3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.078 6.754 4.525 1.00 0.00 H new ATOM 221 N VAL A 19 5.966 6.203 1.806 1.00 0.00 N ATOM 222 CA VAL A 19 5.284 7.178 0.971 1.00 0.00 C ATOM 223 C VAL A 19 4.703 8.283 1.856 1.00 0.00 C ATOM 224 O VAL A 19 3.892 8.012 2.739 1.00 0.00 O ATOM 225 CB VAL A 19 4.227 6.482 0.111 1.00 0.00 C ATOM 226 CG1 VAL A 19 3.770 7.388 -1.035 1.00 0.00 C ATOM 227 CG2 VAL A 19 4.746 5.145 -0.421 1.00 0.00 C ATOM 0 H VAL A 19 5.359 5.690 2.446 1.00 0.00 H new ATOM 0 HA VAL A 19 5.985 7.649 0.282 1.00 0.00 H new ATOM 0 HB VAL A 19 3.362 6.278 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.019 6.870 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.341 8.303 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.624 7.637 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.975 4.671 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.634 5.316 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.999 4.494 0.416 1.00 0.00 H new ATOM 237 N VAL A 20 5.141 9.504 1.587 1.00 0.00 N ATOM 238 CA VAL A 20 4.675 10.651 2.347 1.00 0.00 C ATOM 239 C VAL A 20 3.713 11.472 1.485 1.00 0.00 C ATOM 240 O VAL A 20 4.112 12.031 0.465 1.00 0.00 O ATOM 241 CB VAL A 20 5.868 11.464 2.853 1.00 0.00 C ATOM 242 CG1 VAL A 20 6.508 12.262 1.715 1.00 0.00 C ATOM 243 CG2 VAL A 20 5.456 12.384 4.004 1.00 0.00 C ATOM 0 H VAL A 20 5.814 9.724 0.853 1.00 0.00 H new ATOM 0 HA VAL A 20 4.124 10.326 3.229 1.00 0.00 H new ATOM 0 HB VAL A 20 6.613 10.765 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.354 12.831 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.854 11.578 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.773 12.946 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.323 12.950 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.684 13.073 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.067 11.785 4.827 1.00 0.00 H new ATOM 253 N LEU A 21 2.465 11.518 1.928 1.00 0.00 N ATOM 254 CA LEU A 21 1.444 12.261 1.210 1.00 0.00 C ATOM 255 C LEU A 21 0.980 13.441 2.067 1.00 0.00 C ATOM 256 O LEU A 21 0.810 13.304 3.277 1.00 0.00 O ATOM 257 CB LEU A 21 0.308 11.331 0.778 1.00 0.00 C ATOM 258 CG LEU A 21 0.715 10.128 -0.076 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.413 9.097 -0.143 1.00 0.00 C ATOM 260 CD2 LEU A 21 1.168 10.573 -1.469 1.00 0.00 C ATOM 0 H LEU A 21 2.138 11.053 2.775 1.00 0.00 H new ATOM 0 HA LEU A 21 1.853 12.676 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.194 10.963 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.423 11.917 0.220 1.00 0.00 H new ATOM 0 HG LEU A 21 1.567 9.643 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.098 8.252 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.647 8.748 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.299 9.555 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.452 9.699 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.351 11.095 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.024 11.242 -1.377 1.00 0.00 H new ATOM 272 N THR A 22 0.789 14.573 1.405 1.00 0.00 N ATOM 273 CA THR A 22 0.348 15.775 2.091 1.00 0.00 C ATOM 274 C THR A 22 -1.134 16.034 1.814 1.00 0.00 C ATOM 275 O THR A 22 -1.505 16.408 0.703 1.00 0.00 O ATOM 276 CB THR A 22 1.258 16.927 1.658 1.00 0.00 C ATOM 277 OG1 THR A 22 2.559 16.346 1.620 1.00 0.00 O ATOM 278 CG2 THR A 22 1.368 18.019 2.724 1.00 0.00 C ATOM 0 H THR A 22 0.932 14.683 0.401 1.00 0.00 H new ATOM 0 HA THR A 22 0.430 15.666 3.172 1.00 0.00 H new ATOM 0 HB THR A 22 0.879 17.361 0.733 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.212 17.024 1.346 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.025 18.812 2.366 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.379 18.431 2.927 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.778 17.593 3.640 1.00 0.00 H new ATOM 286 N ALA A 23 -1.941 15.826 2.844 1.00 0.00 N ATOM 287 CA ALA A 23 -3.374 16.033 2.726 1.00 0.00 C ATOM 288 C ALA A 23 -3.636 17.323 1.946 1.00 0.00 C ATOM 289 O ALA A 23 -3.606 18.413 2.515 1.00 0.00 O ATOM 290 CB ALA A 23 -4.003 16.056 4.121 1.00 0.00 C ATOM 0 H ALA A 23 -1.629 15.516 3.764 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.836 15.215 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.078 16.211 4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.813 15.106 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.566 16.867 4.704 1.00 0.00 H new ATOM 296 N ASP A 24 -3.888 17.156 0.656 1.00 0.00 N ATOM 297 CA ASP A 24 -4.155 18.293 -0.207 1.00 0.00 C ATOM 298 C ASP A 24 -5.240 19.166 0.427 1.00 0.00 C ATOM 299 O ASP A 24 -5.874 18.764 1.401 1.00 0.00 O ATOM 300 CB ASP A 24 -4.656 17.838 -1.579 1.00 0.00 C ATOM 301 CG ASP A 24 -3.816 18.313 -2.765 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.574 18.313 -2.617 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.433 18.665 -3.794 1.00 0.00 O ATOM 0 H ASP A 24 -3.913 16.250 0.188 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.225 18.849 -0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.693 16.749 -1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.678 18.193 -1.712 1.00 0.00 H new ATOM 308 N PRO A 25 -5.426 20.375 -0.167 1.00 0.00 N ATOM 309 CA PRO A 25 -6.424 21.307 0.329 1.00 0.00 C ATOM 310 C PRO A 25 -7.834 20.860 -0.061 1.00 0.00 C ATOM 311 O PRO A 25 -8.820 21.374 0.466 1.00 0.00 O ATOM 312 CB PRO A 25 -6.039 22.650 -0.270 1.00 0.00 C ATOM 313 CG PRO A 25 -5.124 22.337 -1.442 1.00 0.00 C ATOM 314 CD PRO A 25 -4.694 20.885 -1.323 1.00 0.00 C ATOM 0 HA PRO A 25 -6.444 21.362 1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.922 23.198 -0.599 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.532 23.275 0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.642 22.505 -2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.255 22.994 -1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.938 20.324 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.617 20.802 -1.178 1.00 0.00 H new ATOM 322 N VAL A 26 -7.885 19.908 -0.980 1.00 0.00 N ATOM 323 CA VAL A 26 -9.158 19.386 -1.447 1.00 0.00 C ATOM 324 C VAL A 26 -9.135 17.858 -1.376 1.00 0.00 C ATOM 325 O VAL A 26 -9.944 17.253 -0.674 1.00 0.00 O ATOM 326 CB VAL A 26 -9.458 19.915 -2.851 1.00 0.00 C ATOM 327 CG1 VAL A 26 -10.533 19.070 -3.538 1.00 0.00 C ATOM 328 CG2 VAL A 26 -9.864 21.389 -2.807 1.00 0.00 C ATOM 0 H VAL A 26 -7.065 19.484 -1.414 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.969 19.729 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.544 19.837 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.727 19.468 -4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.188 18.039 -3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.450 19.100 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.072 21.740 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.758 21.502 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.053 21.977 -2.378 1.00 0.00 H new ATOM 338 N THR A 27 -8.199 17.277 -2.113 1.00 0.00 N ATOM 339 CA THR A 27 -8.060 15.831 -2.142 1.00 0.00 C ATOM 340 C THR A 27 -6.937 15.384 -1.204 1.00 0.00 C ATOM 341 O THR A 27 -5.889 14.928 -1.657 1.00 0.00 O ATOM 342 CB THR A 27 -7.842 15.407 -3.596 1.00 0.00 C ATOM 343 OG1 THR A 27 -6.794 16.258 -4.052 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.029 15.762 -4.494 1.00 0.00 C ATOM 0 H THR A 27 -7.530 17.782 -2.694 1.00 0.00 H new ATOM 0 HA THR A 27 -8.961 15.339 -1.776 1.00 0.00 H new ATOM 0 HB THR A 27 -7.665 14.332 -3.638 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.489 15.958 -4.934 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.822 15.439 -5.514 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.925 15.259 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.187 16.840 -4.479 1.00 0.00 H new ATOM 352 N GLY A 28 -7.195 15.531 0.088 1.00 0.00 N ATOM 353 CA GLY A 28 -6.220 15.149 1.094 1.00 0.00 C ATOM 354 C GLY A 28 -5.233 14.120 0.538 1.00 0.00 C ATOM 355 O GLY A 28 -4.197 14.485 -0.016 1.00 0.00 O ATOM 0 H GLY A 28 -8.066 15.910 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.678 16.031 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.732 14.735 1.963 1.00 0.00 H new ATOM 359 N PHE A 29 -5.589 12.855 0.704 1.00 0.00 N ATOM 360 CA PHE A 29 -4.747 11.771 0.226 1.00 0.00 C ATOM 361 C PHE A 29 -5.443 10.989 -0.890 1.00 0.00 C ATOM 362 O PHE A 29 -4.786 10.327 -1.692 1.00 0.00 O ATOM 363 CB PHE A 29 -4.503 10.837 1.412 1.00 0.00 C ATOM 364 CG PHE A 29 -4.057 11.554 2.688 1.00 0.00 C ATOM 365 CD1 PHE A 29 -2.918 12.298 2.687 1.00 0.00 C ATOM 366 CD2 PHE A 29 -4.799 11.448 3.823 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.504 12.964 3.870 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.384 12.114 5.007 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.246 12.858 5.005 1.00 0.00 C ATOM 0 H PHE A 29 -6.449 12.556 1.163 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.815 12.172 -0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.419 10.284 1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.744 10.105 1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.329 12.382 1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.703 10.858 3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.600 13.555 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.972 12.029 5.909 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.931 13.365 5.905 1.00 0.00 H new ATOM 379 N GLY A 30 -6.764 11.091 -0.906 1.00 0.00 N ATOM 380 CA GLY A 30 -7.556 10.401 -1.910 1.00 0.00 C ATOM 381 C GLY A 30 -7.114 8.943 -2.050 1.00 0.00 C ATOM 382 O GLY A 30 -6.523 8.564 -3.060 1.00 0.00 O ATOM 0 H GLY A 30 -7.306 11.641 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.610 10.440 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.456 10.909 -2.869 1.00 0.00 H new ATOM 386 N ILE A 31 -7.418 8.165 -1.022 1.00 0.00 N ATOM 387 CA ILE A 31 -7.059 6.757 -1.017 1.00 0.00 C ATOM 388 C ILE A 31 -8.256 5.932 -0.539 1.00 0.00 C ATOM 389 O ILE A 31 -8.997 6.361 0.344 1.00 0.00 O ATOM 390 CB ILE A 31 -5.788 6.530 -0.196 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.735 7.594 -0.511 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.249 5.113 -0.401 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.528 7.464 0.420 1.00 0.00 C ATOM 0 H ILE A 31 -7.909 8.483 -0.186 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.822 6.421 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.041 6.629 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.412 7.495 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.173 8.587 -0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.345 4.978 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.001 4.389 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.016 4.961 -1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.795 8.232 0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.851 7.588 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.077 6.479 0.296 1.00 0.00 H new ATOM 405 N GLN A 32 -8.407 4.762 -1.142 1.00 0.00 N ATOM 406 CA GLN A 32 -9.500 3.873 -0.788 1.00 0.00 C ATOM 407 C GLN A 32 -8.957 2.513 -0.344 1.00 0.00 C ATOM 408 O GLN A 32 -8.058 1.963 -0.979 1.00 0.00 O ATOM 409 CB GLN A 32 -10.480 3.718 -1.953 1.00 0.00 C ATOM 410 CG GLN A 32 -11.669 4.668 -1.800 1.00 0.00 C ATOM 411 CD GLN A 32 -11.206 6.063 -1.374 1.00 0.00 C ATOM 412 OE1 GLN A 32 -10.334 6.621 -2.208 1.00 0.00 O flip ATOM 413 NE2 GLN A 32 -11.614 6.596 -0.355 1.00 0.00 N flip ATOM 0 H GLN A 32 -7.790 4.409 -1.874 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.045 4.314 0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -9.967 3.920 -2.893 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.836 2.689 -1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -12.211 4.733 -2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.364 4.270 -1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.284 6.111 0.241 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.285 7.527 -0.099 1.00 0.00 H new ATOM 422 N LEU A 33 -9.525 2.011 0.742 1.00 0.00 N ATOM 423 CA LEU A 33 -9.109 0.726 1.278 1.00 0.00 C ATOM 424 C LEU A 33 -10.255 -0.277 1.135 1.00 0.00 C ATOM 425 O LEU A 33 -11.418 0.113 1.039 1.00 0.00 O ATOM 426 CB LEU A 33 -8.605 0.883 2.715 1.00 0.00 C ATOM 427 CG LEU A 33 -7.758 2.125 2.997 1.00 0.00 C ATOM 428 CD1 LEU A 33 -7.868 2.543 4.464 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.305 1.906 2.571 1.00 0.00 C ATOM 0 H LEU A 33 -10.270 2.471 1.266 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.267 0.331 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.467 0.897 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.018 0.001 2.971 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.149 2.948 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.256 3.428 4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.908 2.769 4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.519 1.730 5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.725 2.804 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.887 1.065 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.267 1.693 1.503 1.00 0.00 H new ATOM 441 N GLN A 34 -9.887 -1.550 1.125 1.00 0.00 N ATOM 442 CA GLN A 34 -10.870 -2.612 0.994 1.00 0.00 C ATOM 443 C GLN A 34 -10.832 -3.524 2.222 1.00 0.00 C ATOM 444 O GLN A 34 -9.841 -3.551 2.949 1.00 0.00 O ATOM 445 CB GLN A 34 -10.646 -3.412 -0.290 1.00 0.00 C ATOM 446 CG GLN A 34 -9.267 -4.074 -0.290 1.00 0.00 C ATOM 447 CD GLN A 34 -9.386 -5.591 -0.454 1.00 0.00 C ATOM 448 OE1 GLN A 34 -9.308 -6.352 0.496 1.00 0.00 O ATOM 449 NE2 GLN A 34 -9.580 -5.985 -1.709 1.00 0.00 N ATOM 0 H GLN A 34 -8.922 -1.870 1.205 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.859 -2.159 0.932 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.419 -4.174 -0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.737 -2.753 -1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.663 -3.664 -1.099 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.750 -3.845 0.642 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.636 -5.294 -2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.673 -6.978 -1.923 1.00 0.00 H new ATOM 620 N PRO A 47 -4.747 -3.944 4.109 1.00 0.00 N ATOM 621 CA PRO A 47 -5.696 -3.120 3.380 1.00 0.00 C ATOM 622 C PRO A 47 -5.195 -2.829 1.964 1.00 0.00 C ATOM 623 O PRO A 47 -4.245 -2.069 1.782 1.00 0.00 O ATOM 624 CB PRO A 47 -5.857 -1.866 4.223 1.00 0.00 C ATOM 625 CG PRO A 47 -4.651 -1.827 5.147 1.00 0.00 C ATOM 626 CD PRO A 47 -3.987 -3.193 5.104 1.00 0.00 C ATOM 0 HA PRO A 47 -6.658 -3.613 3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.897 -0.976 3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.785 -1.895 4.794 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.952 -1.053 4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.957 -1.583 6.164 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.937 -3.114 4.823 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.021 -3.680 6.078 1.00 0.00 H new ATOM 634 N LEU A 48 -5.856 -3.449 0.998 1.00 0.00 N ATOM 635 CA LEU A 48 -5.490 -3.266 -0.397 1.00 0.00 C ATOM 636 C LEU A 48 -6.112 -1.969 -0.917 1.00 0.00 C ATOM 637 O LEU A 48 -7.299 -1.721 -0.714 1.00 0.00 O ATOM 638 CB LEU A 48 -5.868 -4.502 -1.216 1.00 0.00 C ATOM 639 CG LEU A 48 -5.115 -5.789 -0.875 1.00 0.00 C ATOM 640 CD1 LEU A 48 -5.794 -7.006 -1.508 1.00 0.00 C ATOM 641 CD2 LEU A 48 -3.641 -5.685 -1.272 1.00 0.00 C ATOM 0 H LEU A 48 -6.643 -4.079 1.153 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.409 -3.164 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.935 -4.685 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.706 -4.278 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.148 -5.927 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.239 -7.908 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.814 -7.089 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.813 -6.889 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.129 -6.613 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.565 -5.510 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.177 -4.857 -0.736 1.00 0.00 H new ATOM 653 N ILE A 49 -5.282 -1.176 -1.578 1.00 0.00 N ATOM 654 CA ILE A 49 -5.735 0.090 -2.129 1.00 0.00 C ATOM 655 C ILE A 49 -6.874 -0.168 -3.117 1.00 0.00 C ATOM 656 O ILE A 49 -6.632 -0.482 -4.282 1.00 0.00 O ATOM 657 CB ILE A 49 -4.561 0.863 -2.732 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.510 1.182 -1.668 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.046 2.122 -3.454 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.387 2.045 -2.247 1.00 0.00 C ATOM 0 H ILE A 49 -4.298 -1.386 -1.745 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.134 0.728 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.082 0.229 -3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.979 1.702 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.094 0.255 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.191 2.653 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.728 1.841 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.564 2.770 -2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.653 2.257 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.904 1.512 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.803 2.982 -2.619 1.00 0.00 H new ATOM 672 N SER A 50 -8.093 -0.027 -2.617 1.00 0.00 N ATOM 673 CA SER A 50 -9.270 -0.241 -3.441 1.00 0.00 C ATOM 674 C SER A 50 -9.237 0.693 -4.653 1.00 0.00 C ATOM 675 O SER A 50 -9.358 0.243 -5.791 1.00 0.00 O ATOM 676 CB SER A 50 -10.553 -0.021 -2.637 1.00 0.00 C ATOM 677 OG SER A 50 -11.644 0.365 -3.468 1.00 0.00 O ATOM 0 H SER A 50 -8.291 0.233 -1.651 1.00 0.00 H new ATOM 0 HA SER A 50 -9.262 -1.275 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.809 -0.937 -2.105 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.381 0.748 -1.884 1.00 0.00 H new ATOM 0 HG SER A 50 -12.445 0.494 -2.918 1.00 0.00 H new ATOM 683 N TYR A 51 -9.073 1.976 -4.367 1.00 0.00 N ATOM 684 CA TYR A 51 -9.023 2.977 -5.419 1.00 0.00 C ATOM 685 C TYR A 51 -8.165 4.172 -4.998 1.00 0.00 C ATOM 686 O TYR A 51 -7.966 4.409 -3.808 1.00 0.00 O ATOM 687 CB TYR A 51 -10.465 3.447 -5.623 1.00 0.00 C ATOM 688 CG TYR A 51 -10.622 4.521 -6.701 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.558 4.175 -8.035 1.00 0.00 C ATOM 690 CD2 TYR A 51 -10.828 5.837 -6.338 1.00 0.00 C ATOM 691 CE1 TYR A 51 -10.706 5.187 -9.050 1.00 0.00 C ATOM 692 CE2 TYR A 51 -10.976 6.849 -7.352 1.00 0.00 C ATOM 693 CZ TYR A 51 -10.908 6.474 -8.658 1.00 0.00 C ATOM 694 OH TYR A 51 -11.048 7.429 -9.616 1.00 0.00 O ATOM 0 H TYR A 51 -8.973 2.346 -3.422 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.587 2.559 -6.326 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.082 2.588 -5.887 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.847 3.836 -4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.397 3.145 -8.319 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.878 6.108 -5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.658 4.930 -10.098 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.137 7.882 -7.082 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.187 8.301 -9.191 1.00 0.00 H new ATOM 704 N ILE A 52 -7.681 4.894 -5.998 1.00 0.00 N ATOM 705 CA ILE A 52 -6.849 6.058 -5.747 1.00 0.00 C ATOM 706 C ILE A 52 -7.481 7.284 -6.409 1.00 0.00 C ATOM 707 O ILE A 52 -7.518 7.382 -7.635 1.00 0.00 O ATOM 708 CB ILE A 52 -5.409 5.794 -6.191 1.00 0.00 C ATOM 709 CG1 ILE A 52 -4.837 4.560 -5.490 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.534 7.031 -5.979 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.662 3.977 -6.278 1.00 0.00 C ATOM 0 H ILE A 52 -7.849 4.695 -6.984 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.796 6.264 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.414 5.583 -7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.509 4.827 -4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.616 3.806 -5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.516 6.816 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.932 7.862 -6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.530 7.297 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.274 3.101 -5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.999 3.688 -7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.875 4.726 -6.365 1.00 0.00 H new ATOM 723 N GLU A 53 -7.964 8.187 -5.569 1.00 0.00 N ATOM 724 CA GLU A 53 -8.593 9.403 -6.058 1.00 0.00 C ATOM 725 C GLU A 53 -7.693 10.089 -7.087 1.00 0.00 C ATOM 726 O GLU A 53 -6.472 9.953 -7.038 1.00 0.00 O ATOM 727 CB GLU A 53 -8.927 10.350 -4.903 1.00 0.00 C ATOM 728 CG GLU A 53 -10.355 10.884 -5.028 1.00 0.00 C ATOM 729 CD GLU A 53 -10.389 12.404 -4.855 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.528 12.839 -3.692 1.00 0.00 O ATOM 731 OE2 GLU A 53 -10.276 13.095 -5.890 1.00 0.00 O ATOM 0 H GLU A 53 -7.933 8.102 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.530 9.134 -6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.812 9.826 -3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.223 11.182 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.763 10.616 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.990 10.415 -4.276 1.00 0.00 H new ATOM 738 N ALA A 54 -8.332 10.812 -7.996 1.00 0.00 N ATOM 739 CA ALA A 54 -7.605 11.520 -9.035 1.00 0.00 C ATOM 740 C ALA A 54 -7.235 12.917 -8.532 1.00 0.00 C ATOM 741 O ALA A 54 -7.848 13.425 -7.595 1.00 0.00 O ATOM 742 CB ALA A 54 -8.450 11.564 -10.310 1.00 0.00 C ATOM 0 H ALA A 54 -9.345 10.922 -8.034 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.678 11.001 -9.276 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.905 12.095 -11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.660 10.547 -10.642 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.388 12.081 -10.107 1.00 0.00 H new ATOM 748 N ASP A 55 -6.234 13.497 -9.177 1.00 0.00 N ATOM 749 CA ASP A 55 -5.775 14.825 -8.806 1.00 0.00 C ATOM 750 C ASP A 55 -5.368 14.827 -7.332 1.00 0.00 C ATOM 751 O ASP A 55 -5.282 15.884 -6.708 1.00 0.00 O ATOM 752 CB ASP A 55 -6.884 15.863 -8.991 1.00 0.00 C ATOM 753 CG ASP A 55 -6.495 17.082 -9.830 1.00 0.00 C ATOM 754 OD1 ASP A 55 -5.287 17.206 -10.125 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.415 17.863 -10.156 1.00 0.00 O ATOM 0 H ASP A 55 -5.728 13.072 -9.954 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.931 15.080 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.741 15.378 -9.458 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.208 16.205 -8.008 1.00 0.00 H new ATOM 760 N SER A 56 -5.127 13.630 -6.816 1.00 0.00 N ATOM 761 CA SER A 56 -4.730 13.480 -5.426 1.00 0.00 C ATOM 762 C SER A 56 -3.219 13.259 -5.334 1.00 0.00 C ATOM 763 O SER A 56 -2.575 12.927 -6.328 1.00 0.00 O ATOM 764 CB SER A 56 -5.478 12.321 -4.763 1.00 0.00 C ATOM 765 OG SER A 56 -4.588 11.312 -4.293 1.00 0.00 O ATOM 0 H SER A 56 -5.199 12.755 -7.336 1.00 0.00 H new ATOM 0 HA SER A 56 -4.989 14.396 -4.895 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.069 12.700 -3.929 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.177 11.885 -5.477 1.00 0.00 H new ATOM 0 HG SER A 56 -4.804 11.093 -3.363 1.00 0.00 H new ATOM 771 N PRO A 57 -2.684 13.457 -4.100 1.00 0.00 N ATOM 772 CA PRO A 57 -1.260 13.283 -3.865 1.00 0.00 C ATOM 773 C PRO A 57 -0.888 11.800 -3.826 1.00 0.00 C ATOM 774 O PRO A 57 0.277 11.443 -3.996 1.00 0.00 O ATOM 775 CB PRO A 57 -0.988 13.998 -2.552 1.00 0.00 C ATOM 776 CG PRO A 57 -2.338 14.145 -1.869 1.00 0.00 C ATOM 777 CD PRO A 57 -3.416 13.851 -2.900 1.00 0.00 C ATOM 0 HA PRO A 57 -0.648 13.700 -4.665 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.297 13.427 -1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.530 14.972 -2.725 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.417 13.457 -1.027 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.456 15.152 -1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.080 13.055 -2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.037 14.728 -3.085 1.00 0.00 H new ATOM 785 N ALA A 58 -1.900 10.974 -3.601 1.00 0.00 N ATOM 786 CA ALA A 58 -1.694 9.537 -3.537 1.00 0.00 C ATOM 787 C ALA A 58 -1.492 8.993 -4.953 1.00 0.00 C ATOM 788 O ALA A 58 -0.855 7.957 -5.138 1.00 0.00 O ATOM 789 CB ALA A 58 -2.879 8.883 -2.824 1.00 0.00 C ATOM 0 H ALA A 58 -2.865 11.273 -3.461 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.798 9.302 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.725 7.805 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.962 9.283 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.796 9.094 -3.374 1.00 0.00 H new ATOM 795 N GLU A 59 -2.046 9.715 -5.915 1.00 0.00 N ATOM 796 CA GLU A 59 -1.934 9.317 -7.308 1.00 0.00 C ATOM 797 C GLU A 59 -0.742 10.014 -7.966 1.00 0.00 C ATOM 798 O GLU A 59 -0.208 9.531 -8.963 1.00 0.00 O ATOM 799 CB GLU A 59 -3.229 9.612 -8.068 1.00 0.00 C ATOM 800 CG GLU A 59 -3.208 8.969 -9.457 1.00 0.00 C ATOM 801 CD GLU A 59 -3.395 7.454 -9.362 1.00 0.00 C ATOM 802 OE1 GLU A 59 -2.409 6.782 -8.989 1.00 0.00 O ATOM 803 OE2 GLU A 59 -4.520 7.000 -9.666 1.00 0.00 O ATOM 0 H GLU A 59 -2.574 10.573 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.766 8.241 -7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.081 9.236 -7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.361 10.690 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.998 9.399 -10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.262 9.192 -9.951 1.00 0.00 H new ATOM 810 N ARG A 60 -0.359 11.139 -7.380 1.00 0.00 N ATOM 811 CA ARG A 60 0.761 11.908 -7.897 1.00 0.00 C ATOM 812 C ARG A 60 2.062 11.117 -7.745 1.00 0.00 C ATOM 813 O ARG A 60 2.887 11.092 -8.657 1.00 0.00 O ATOM 814 CB ARG A 60 0.896 13.244 -7.164 1.00 0.00 C ATOM 815 CG ARG A 60 0.161 14.357 -7.914 1.00 0.00 C ATOM 816 CD ARG A 60 0.938 15.673 -7.843 1.00 0.00 C ATOM 817 NE ARG A 60 0.034 16.811 -8.124 1.00 0.00 N ATOM 818 CZ ARG A 60 -0.930 17.227 -7.293 1.00 0.00 C ATOM 819 NH1 ARG A 60 -1.122 16.603 -6.123 1.00 0.00 N ATOM 820 NH2 ARG A 60 -1.702 18.269 -7.631 1.00 0.00 N ATOM 0 H ARG A 60 -0.804 11.536 -6.553 1.00 0.00 H new ATOM 0 HA ARG A 60 0.571 12.103 -8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.493 13.152 -6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.950 13.503 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.023 14.068 -8.956 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.832 14.494 -7.487 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.385 15.788 -6.855 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.756 15.661 -8.563 1.00 0.00 H new ATOM 0 HE ARG A 60 0.153 17.309 -9.006 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.534 15.811 -5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.856 16.920 -5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.555 18.745 -8.521 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.436 18.586 -6.998 1.00 0.00 H new ATOM 834 N CYS A 61 2.206 10.492 -6.586 1.00 0.00 N ATOM 835 CA CYS A 61 3.393 9.703 -6.303 1.00 0.00 C ATOM 836 C CYS A 61 3.499 8.601 -7.359 1.00 0.00 C ATOM 837 O CYS A 61 4.582 8.337 -7.879 1.00 0.00 O ATOM 838 CB CYS A 61 3.369 9.133 -4.883 1.00 0.00 C ATOM 839 SG CYS A 61 4.938 9.522 -4.026 1.00 0.00 S ATOM 0 H CYS A 61 1.520 10.516 -5.831 1.00 0.00 H new ATOM 0 HA CYS A 61 4.277 10.339 -6.353 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.529 9.551 -4.329 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.222 8.054 -4.918 1.00 0.00 H new ATOM 0 HG CYS A 61 4.718 9.637 -2.750 1.00 0.00 H new ATOM 845 N GLY A 62 2.361 7.985 -7.643 1.00 0.00 N ATOM 846 CA GLY A 62 2.313 6.917 -8.627 1.00 0.00 C ATOM 847 C GLY A 62 2.684 5.574 -7.996 1.00 0.00 C ATOM 848 O GLY A 62 2.014 4.569 -8.227 1.00 0.00 O ATOM 0 H GLY A 62 1.465 8.205 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.313 6.857 -9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.998 7.140 -9.445 1.00 0.00 H new ATOM 852 N VAL A 63 3.752 5.600 -7.212 1.00 0.00 N ATOM 853 CA VAL A 63 4.221 4.396 -6.547 1.00 0.00 C ATOM 854 C VAL A 63 3.026 3.648 -5.954 1.00 0.00 C ATOM 855 O VAL A 63 3.068 2.429 -5.795 1.00 0.00 O ATOM 856 CB VAL A 63 5.280 4.755 -5.502 1.00 0.00 C ATOM 857 CG1 VAL A 63 6.410 5.576 -6.126 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.653 5.494 -4.318 1.00 0.00 C ATOM 0 H VAL A 63 4.306 6.435 -7.022 1.00 0.00 H new ATOM 0 HA VAL A 63 4.701 3.727 -7.261 1.00 0.00 H new ATOM 0 HB VAL A 63 5.710 3.826 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.149 5.818 -5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.884 4.998 -6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.003 6.498 -6.542 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.427 5.738 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.184 6.413 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.901 4.859 -3.850 1.00 0.00 H new ATOM 868 N LEU A 64 1.987 4.409 -5.642 1.00 0.00 N ATOM 869 CA LEU A 64 0.782 3.833 -5.071 1.00 0.00 C ATOM 870 C LEU A 64 -0.075 3.237 -6.190 1.00 0.00 C ATOM 871 O LEU A 64 -0.705 3.970 -6.951 1.00 0.00 O ATOM 872 CB LEU A 64 0.045 4.868 -4.218 1.00 0.00 C ATOM 873 CG LEU A 64 0.915 5.699 -3.272 1.00 0.00 C ATOM 874 CD1 LEU A 64 0.091 6.788 -2.584 1.00 0.00 C ATOM 875 CD2 LEU A 64 1.637 4.803 -2.263 1.00 0.00 C ATOM 0 H LEU A 64 1.955 5.420 -5.774 1.00 0.00 H new ATOM 0 HA LEU A 64 1.035 3.017 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.485 5.549 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.710 4.351 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 64 1.681 6.201 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.733 7.364 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.338 7.450 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.711 6.328 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.248 5.418 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.903 4.255 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.275 4.097 -2.795 1.00 0.00 H new ATOM 887 N GLN A 65 -0.069 1.914 -6.255 1.00 0.00 N ATOM 888 CA GLN A 65 -0.838 1.211 -7.269 1.00 0.00 C ATOM 889 C GLN A 65 -2.166 0.724 -6.686 1.00 0.00 C ATOM 890 O GLN A 65 -2.318 0.637 -5.468 1.00 0.00 O ATOM 891 CB GLN A 65 -0.037 0.047 -7.856 1.00 0.00 C ATOM 892 CG GLN A 65 0.156 -1.063 -6.820 1.00 0.00 C ATOM 893 CD GLN A 65 1.632 -1.444 -6.694 1.00 0.00 C ATOM 894 OE1 GLN A 65 2.490 -0.624 -6.411 1.00 0.00 O ATOM 895 NE2 GLN A 65 1.879 -2.732 -6.919 1.00 0.00 N ATOM 0 H GLN A 65 0.456 1.310 -5.622 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.053 1.906 -8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.554 -0.351 -8.729 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.935 0.405 -8.197 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.222 -0.732 -5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.426 -1.939 -7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 65 1.114 -3.365 -7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.834 -3.086 -6.859 1.00 0.00 H new ATOM 904 N ILE A 66 -3.093 0.420 -7.582 1.00 0.00 N ATOM 905 CA ILE A 66 -4.403 -0.056 -7.172 1.00 0.00 C ATOM 906 C ILE A 66 -4.279 -1.489 -6.650 1.00 0.00 C ATOM 907 O ILE A 66 -3.863 -2.387 -7.381 1.00 0.00 O ATOM 908 CB ILE A 66 -5.410 0.098 -8.312 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.652 1.574 -8.635 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.713 -0.640 -7.997 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.767 2.151 -7.761 1.00 0.00 C ATOM 0 H ILE A 66 -2.963 0.494 -8.591 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.790 0.550 -6.353 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.987 -0.362 -9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.733 2.139 -8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.917 1.681 -9.687 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.412 -0.514 -8.824 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.505 -1.701 -7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.151 -0.232 -7.086 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.919 3.201 -8.011 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.690 1.599 -7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.488 2.065 -6.711 1.00 0.00 H new ATOM 923 N GLY A 67 -4.648 -1.660 -5.389 1.00 0.00 N ATOM 924 CA GLY A 67 -4.584 -2.968 -4.761 1.00 0.00 C ATOM 925 C GLY A 67 -3.161 -3.284 -4.295 1.00 0.00 C ATOM 926 O GLY A 67 -2.699 -4.417 -4.422 1.00 0.00 O ATOM 0 H GLY A 67 -4.993 -0.914 -4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.265 -3.000 -3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.917 -3.730 -5.465 1.00 0.00 H new ATOM 930 N ASP A 68 -2.506 -2.261 -3.764 1.00 0.00 N ATOM 931 CA ASP A 68 -1.145 -2.415 -3.279 1.00 0.00 C ATOM 932 C ASP A 68 -1.171 -3.107 -1.914 1.00 0.00 C ATOM 933 O ASP A 68 -2.237 -3.458 -1.412 1.00 0.00 O ATOM 934 CB ASP A 68 -0.465 -1.056 -3.107 1.00 0.00 C ATOM 935 CG ASP A 68 1.027 -1.032 -3.446 1.00 0.00 C ATOM 936 OD1 ASP A 68 1.665 -2.092 -3.273 1.00 0.00 O ATOM 937 OD2 ASP A 68 1.494 0.047 -3.872 1.00 0.00 O ATOM 0 H ASP A 68 -2.893 -1.323 -3.659 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.591 -3.005 -4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.977 -0.328 -3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.593 -0.731 -2.075 1.00 0.00 H new ATOM 942 N ARG A 69 0.017 -3.282 -1.353 1.00 0.00 N ATOM 943 CA ARG A 69 0.144 -3.926 -0.057 1.00 0.00 C ATOM 944 C ARG A 69 0.728 -2.949 0.966 1.00 0.00 C ATOM 945 O ARG A 69 1.944 -2.874 1.135 1.00 0.00 O ATOM 946 CB ARG A 69 1.042 -5.162 -0.141 1.00 0.00 C ATOM 947 CG ARG A 69 2.117 -4.986 -1.216 1.00 0.00 C ATOM 948 CD ARG A 69 1.565 -5.320 -2.603 1.00 0.00 C ATOM 949 NE ARG A 69 2.647 -5.845 -3.466 1.00 0.00 N ATOM 950 CZ ARG A 69 3.475 -5.075 -4.184 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.350 -3.742 -4.148 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.428 -5.639 -4.939 1.00 0.00 N ATOM 0 H ARG A 69 0.899 -2.989 -1.772 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.852 -4.236 0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.514 -5.339 0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.438 -6.041 -0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.484 -3.960 -1.204 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.967 -5.631 -0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.767 -6.057 -2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.129 -4.429 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 69 2.770 -6.856 -3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.624 -3.313 -3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.981 -3.156 -4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.522 -6.654 -4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.059 -5.053 -5.486 1.00 0.00 H new ATOM 966 N VAL A 70 -0.167 -2.223 1.621 1.00 0.00 N ATOM 967 CA VAL A 70 0.244 -1.254 2.623 1.00 0.00 C ATOM 968 C VAL A 70 0.371 -1.951 3.979 1.00 0.00 C ATOM 969 O VAL A 70 -0.624 -2.394 4.549 1.00 0.00 O ATOM 970 CB VAL A 70 -0.734 -0.078 2.644 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.061 -0.480 3.291 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.122 1.131 3.355 1.00 0.00 C ATOM 0 H VAL A 70 -1.175 -2.287 1.477 1.00 0.00 H new ATOM 0 HA VAL A 70 1.223 -0.842 2.377 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.937 0.207 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.738 0.374 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.509 -1.297 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.882 -0.804 4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.838 1.953 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.124 0.863 4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.784 1.439 2.834 1.00 0.00 H new ATOM 982 N MET A 71 1.605 -2.027 4.456 1.00 0.00 N ATOM 983 CA MET A 71 1.876 -2.662 5.734 1.00 0.00 C ATOM 984 C MET A 71 1.645 -1.687 6.891 1.00 0.00 C ATOM 985 O MET A 71 1.645 -2.087 8.054 1.00 0.00 O ATOM 986 CB MET A 71 3.324 -3.155 5.763 1.00 0.00 C ATOM 987 CG MET A 71 3.781 -3.596 4.371 1.00 0.00 C ATOM 988 SD MET A 71 5.111 -4.777 4.510 1.00 0.00 S ATOM 989 CE MET A 71 4.248 -6.125 5.300 1.00 0.00 C ATOM 0 H MET A 71 2.428 -1.659 3.980 1.00 0.00 H new ATOM 0 HA MET A 71 1.194 -3.504 5.852 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.975 -2.361 6.129 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.414 -3.988 6.460 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.946 -4.039 3.829 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.111 -2.730 3.797 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.653 -7.073 4.947 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.376 -6.056 6.380 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.187 -6.070 5.056 1.00 0.00 H new ATOM 999 N ALA A 72 1.454 -0.426 6.531 1.00 0.00 N ATOM 1000 CA ALA A 72 1.222 0.608 7.524 1.00 0.00 C ATOM 1001 C ALA A 72 0.641 1.847 6.838 1.00 0.00 C ATOM 1002 O ALA A 72 0.915 2.097 5.665 1.00 0.00 O ATOM 1003 CB ALA A 72 2.529 0.910 8.262 1.00 0.00 C ATOM 0 H ALA A 72 1.455 -0.098 5.565 1.00 0.00 H new ATOM 0 HA ALA A 72 0.498 0.272 8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.355 1.686 9.007 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.885 0.006 8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.279 1.253 7.549 1.00 0.00 H new ATOM 1009 N ILE A 73 -0.150 2.588 7.599 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.772 3.794 7.079 1.00 0.00 C ATOM 1011 C ILE A 73 -0.195 5.013 7.801 1.00 0.00 C ATOM 1012 O ILE A 73 -0.606 6.143 7.546 1.00 0.00 O ATOM 1013 CB ILE A 73 -2.296 3.692 7.168 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -2.859 2.861 6.013 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.936 5.080 7.239 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -4.304 2.443 6.291 1.00 0.00 C ATOM 0 H ILE A 73 -0.375 2.377 8.571 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.544 3.913 6.020 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.549 3.173 8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.815 3.439 5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.243 1.974 5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.019 4.978 7.302 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.569 5.605 8.121 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.676 5.647 6.345 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.680 1.854 5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.341 1.845 7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.922 3.332 6.415 1.00 0.00 H new ATOM 1028 N ASN A 74 0.751 4.741 8.689 1.00 0.00 N ATOM 1029 CA ASN A 74 1.389 5.802 9.450 1.00 0.00 C ATOM 1030 C ASN A 74 2.249 5.184 10.555 1.00 0.00 C ATOM 1031 O ASN A 74 2.229 5.648 11.694 1.00 0.00 O ATOM 1032 CB ASN A 74 0.349 6.708 10.111 1.00 0.00 C ATOM 1033 CG ASN A 74 -0.771 5.884 10.750 1.00 0.00 C ATOM 1034 OD1 ASN A 74 -0.596 4.735 11.122 1.00 0.00 O ATOM 1035 ND2 ASN A 74 -1.927 6.532 10.854 1.00 0.00 N ATOM 0 H ASN A 74 1.090 3.802 8.898 1.00 0.00 H new ATOM 0 HA ASN A 74 1.996 6.392 8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.829 7.325 10.870 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.072 7.386 9.369 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.737 6.068 11.266 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.004 7.493 10.522 1.00 0.00 H new ATOM 1042 N GLY A 75 2.982 4.147 10.180 1.00 0.00 N ATOM 1043 CA GLY A 75 3.847 3.461 11.125 1.00 0.00 C ATOM 1044 C GLY A 75 3.117 2.290 11.786 1.00 0.00 C ATOM 1045 O GLY A 75 3.692 1.218 11.969 1.00 0.00 O ATOM 0 H GLY A 75 2.995 3.765 9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.736 3.096 10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.185 4.161 11.889 1.00 0.00 H new ATOM 1049 N ILE A 76 1.860 2.534 12.127 1.00 0.00 N ATOM 1050 CA ILE A 76 1.045 1.514 12.764 1.00 0.00 C ATOM 1051 C ILE A 76 0.842 0.349 11.792 1.00 0.00 C ATOM 1052 O ILE A 76 0.647 0.561 10.596 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.262 2.117 13.282 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -0.100 2.629 14.715 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -1.415 1.120 13.156 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -1.445 3.073 15.294 1.00 0.00 C ATOM 0 H ILE A 76 1.386 3.424 11.974 1.00 0.00 H new ATOM 0 HA ILE A 76 1.553 1.114 13.641 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.511 2.976 12.659 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.327 1.844 15.339 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.600 3.465 14.730 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.332 1.575 13.531 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.548 0.847 12.109 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.189 0.226 13.738 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.302 3.432 16.313 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.858 3.874 14.681 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.135 2.229 15.301 1.00 0.00 H new ATOM 1068 N PRO A 77 0.895 -0.887 12.357 1.00 0.00 N ATOM 1069 CA PRO A 77 0.719 -2.085 11.554 1.00 0.00 C ATOM 1070 C PRO A 77 -0.751 -2.282 11.178 1.00 0.00 C ATOM 1071 O PRO A 77 -1.570 -2.633 12.025 1.00 0.00 O ATOM 1072 CB PRO A 77 1.271 -3.215 12.407 1.00 0.00 C ATOM 1073 CG PRO A 77 1.307 -2.683 13.831 1.00 0.00 C ATOM 1074 CD PRO A 77 1.123 -1.175 13.770 1.00 0.00 C ATOM 0 HA PRO A 77 1.243 -2.032 10.599 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.640 -4.101 12.337 1.00 0.00 H new ATOM 0 HB3 PRO A 77 2.267 -3.506 12.073 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.519 -3.140 14.429 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.255 -2.933 14.308 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.279 -0.854 14.381 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.004 -0.653 14.144 1.00 0.00 H new ATOM 1082 N THR A 78 -1.040 -2.047 9.906 1.00 0.00 N ATOM 1083 CA THR A 78 -2.397 -2.195 9.408 1.00 0.00 C ATOM 1084 C THR A 78 -2.758 -3.676 9.275 1.00 0.00 C ATOM 1085 O THR A 78 -2.792 -4.214 8.170 1.00 0.00 O ATOM 1086 CB THR A 78 -2.503 -1.423 8.091 1.00 0.00 C ATOM 1087 OG1 THR A 78 -1.643 -2.132 7.203 1.00 0.00 O ATOM 1088 CG2 THR A 78 -1.881 -0.028 8.178 1.00 0.00 C ATOM 0 H THR A 78 -0.358 -1.755 9.206 1.00 0.00 H new ATOM 0 HA THR A 78 -3.123 -1.778 10.106 1.00 0.00 H new ATOM 0 HB THR A 78 -3.551 -1.335 7.805 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.976 -3.046 7.086 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.983 0.477 7.217 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.391 0.551 8.948 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.824 -0.116 8.431 1.00 0.00 H new ATOM 1096 N GLU A 79 -3.019 -4.293 10.418 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.377 -5.701 10.444 1.00 0.00 C ATOM 1098 C GLU A 79 -3.658 -6.151 11.879 1.00 0.00 C ATOM 1099 O GLU A 79 -3.085 -7.132 12.349 1.00 0.00 O ATOM 1100 CB GLU A 79 -2.280 -6.557 9.806 1.00 0.00 C ATOM 1101 CG GLU A 79 -2.874 -7.556 8.812 1.00 0.00 C ATOM 1102 CD GLU A 79 -1.916 -8.724 8.569 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -1.043 -8.568 7.689 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -2.078 -9.746 9.270 1.00 0.00 O ATOM 0 H GLU A 79 -2.990 -3.844 11.333 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.286 -5.836 9.857 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.562 -5.914 9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.733 -7.092 10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.823 -7.933 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.086 -7.053 7.869 1.00 0.00 H new ATOM 1111 N ASP A 80 -4.541 -5.412 12.535 1.00 0.00 N ATOM 1112 CA ASP A 80 -4.906 -5.723 13.906 1.00 0.00 C ATOM 1113 C ASP A 80 -6.286 -5.137 14.208 1.00 0.00 C ATOM 1114 O ASP A 80 -7.194 -5.858 14.620 1.00 0.00 O ATOM 1115 CB ASP A 80 -3.908 -5.113 14.893 1.00 0.00 C ATOM 1116 CG ASP A 80 -3.789 -5.848 16.230 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -3.160 -6.928 16.230 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -4.330 -5.313 17.221 1.00 0.00 O ATOM 0 H ASP A 80 -5.014 -4.598 12.142 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.907 -6.807 14.017 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.925 -5.085 14.422 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.198 -4.080 15.088 1.00 0.00 H new ATOM 1123 N SER A 81 -6.402 -3.835 13.991 1.00 0.00 N ATOM 1124 CA SER A 81 -7.657 -3.145 14.234 1.00 0.00 C ATOM 1125 C SER A 81 -8.651 -3.455 13.113 1.00 0.00 C ATOM 1126 O SER A 81 -8.379 -4.288 12.250 1.00 0.00 O ATOM 1127 CB SER A 81 -7.441 -1.634 14.349 1.00 0.00 C ATOM 1128 OG SER A 81 -6.280 -1.206 13.644 1.00 0.00 O ATOM 0 H SER A 81 -5.647 -3.240 13.650 1.00 0.00 H new ATOM 0 HA SER A 81 -8.065 -3.500 15.180 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.315 -1.112 13.959 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.349 -1.360 15.400 1.00 0.00 H new ATOM 0 HG SER A 81 -6.178 -0.236 13.740 1.00 0.00 H new ATOM 1134 N THR A 82 -9.783 -2.768 13.162 1.00 0.00 N ATOM 1135 CA THR A 82 -10.819 -2.959 12.161 1.00 0.00 C ATOM 1136 C THR A 82 -10.483 -2.177 10.890 1.00 0.00 C ATOM 1137 O THR A 82 -9.657 -1.266 10.917 1.00 0.00 O ATOM 1138 CB THR A 82 -12.158 -2.560 12.784 1.00 0.00 C ATOM 1139 OG1 THR A 82 -12.132 -1.136 12.780 1.00 0.00 O ATOM 1140 CG2 THR A 82 -12.246 -2.927 14.267 1.00 0.00 C ATOM 0 H THR A 82 -10.006 -2.078 13.880 1.00 0.00 H new ATOM 0 HA THR A 82 -10.885 -4.003 11.855 1.00 0.00 H new ATOM 0 HB THR A 82 -12.970 -3.045 12.241 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.965 -0.793 13.166 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.216 -2.622 14.660 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.130 -4.005 14.383 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.455 -2.416 14.816 1.00 0.00 H new ATOM 1148 N PHE A 83 -11.141 -2.562 9.806 1.00 0.00 N ATOM 1149 CA PHE A 83 -10.923 -1.908 8.527 1.00 0.00 C ATOM 1150 C PHE A 83 -11.233 -0.412 8.615 1.00 0.00 C ATOM 1151 O PHE A 83 -10.613 0.396 7.927 1.00 0.00 O ATOM 1152 CB PHE A 83 -11.879 -2.557 7.524 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.273 -1.645 6.360 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -13.216 -0.682 6.540 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -11.679 -1.797 5.146 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.582 0.164 5.460 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.045 -0.951 4.066 1.00 0.00 C ATOM 1158 CZ PHE A 83 -12.988 0.012 4.246 1.00 0.00 C ATOM 0 H PHE A 83 -11.825 -3.318 9.787 1.00 0.00 H new ATOM 0 HA PHE A 83 -9.881 -2.018 8.226 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.413 -3.458 7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.782 -2.870 8.048 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.687 -0.561 7.504 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.929 -2.561 5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.332 0.928 5.603 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -11.574 -1.072 3.102 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.265 0.656 3.425 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.194 -0.090 9.469 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.594 1.294 9.657 1.00 0.00 C ATOM 1170 C GLU A 84 -11.431 2.112 10.222 1.00 0.00 C ATOM 1171 O GLU A 84 -11.272 3.285 9.889 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.823 1.392 10.563 1.00 0.00 C ATOM 1173 CG GLU A 84 -15.112 1.194 9.761 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.481 2.466 8.994 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -15.437 3.543 9.627 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -15.798 2.332 7.793 1.00 0.00 O ATOM 0 H GLU A 84 -12.707 -0.764 10.038 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.865 1.707 8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.761 0.640 11.349 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.841 2.365 11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.986 0.367 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.925 0.922 10.434 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.647 1.459 11.068 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.502 2.111 11.682 1.00 0.00 C ATOM 1185 C GLU A 85 -8.614 2.746 10.611 1.00 0.00 C ATOM 1186 O GLU A 85 -8.309 3.935 10.677 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.707 1.126 12.541 1.00 0.00 C ATOM 1188 CG GLU A 85 -8.545 1.650 13.970 1.00 0.00 C ATOM 1189 CD GLU A 85 -7.382 2.639 14.062 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -6.237 2.158 14.196 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -7.666 3.855 13.997 1.00 0.00 O ATOM 0 H GLU A 85 -10.782 0.486 11.343 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.867 2.902 12.337 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.215 0.162 12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.725 0.961 12.097 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.467 2.136 14.290 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.372 0.816 14.650 1.00 0.00 H new ATOM 1198 N ALA A 86 -8.225 1.924 9.647 1.00 0.00 N ATOM 1199 CA ALA A 86 -7.378 2.390 8.563 1.00 0.00 C ATOM 1200 C ALA A 86 -7.966 3.676 7.979 1.00 0.00 C ATOM 1201 O ALA A 86 -7.292 4.704 7.928 1.00 0.00 O ATOM 1202 CB ALA A 86 -7.236 1.285 7.514 1.00 0.00 C ATOM 0 H ALA A 86 -8.481 0.938 9.595 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.378 2.621 8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.600 1.635 6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.787 0.404 7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.220 1.028 7.121 1.00 0.00 H new ATOM 1208 N ASN A 87 -9.217 3.577 7.552 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.903 4.719 6.974 1.00 0.00 C ATOM 1210 C ASN A 87 -9.790 5.912 7.925 1.00 0.00 C ATOM 1211 O ASN A 87 -9.695 7.056 7.483 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.389 4.421 6.765 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.920 5.129 5.517 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.335 6.071 5.009 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -13.060 4.624 5.052 1.00 0.00 N ATOM 0 H ASN A 87 -9.773 2.723 7.595 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.440 4.938 6.012 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.538 3.346 6.668 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.955 4.744 7.639 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.496 5.027 4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.498 3.834 5.525 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.802 5.604 9.213 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.702 6.637 10.231 1.00 0.00 C ATOM 1224 C GLN A 88 -8.294 7.235 10.242 1.00 0.00 C ATOM 1225 O GLN A 88 -8.130 8.441 10.421 1.00 0.00 O ATOM 1226 CB GLN A 88 -10.075 6.087 11.609 1.00 0.00 C ATOM 1227 CG GLN A 88 -11.329 6.775 12.153 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.566 6.380 11.345 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.772 5.067 11.278 1.00 0.00 O flip ATOM 1230 NE2 GLN A 88 -13.286 7.211 10.816 1.00 0.00 N flip ATOM 0 H GLN A 88 -9.879 4.654 9.576 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.411 7.429 9.989 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.246 5.013 11.542 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.246 6.235 12.300 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.472 6.504 13.199 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.198 7.857 12.119 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -13.071 8.204 10.907 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -14.103 6.913 10.283 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.314 6.365 10.049 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.926 6.793 10.034 1.00 0.00 C ATOM 1241 C LEU A 89 -5.763 7.951 9.047 1.00 0.00 C ATOM 1242 O LEU A 89 -5.106 8.945 9.353 1.00 0.00 O ATOM 1243 CB LEU A 89 -5.002 5.607 9.748 1.00 0.00 C ATOM 1244 CG LEU A 89 -5.035 4.470 10.771 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.763 3.623 10.691 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.277 5.008 12.183 1.00 0.00 C ATOM 0 H LEU A 89 -7.454 5.365 9.902 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.633 7.167 11.015 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.260 5.198 8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.979 5.977 9.678 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.873 3.817 10.528 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.812 2.822 11.429 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.675 3.193 9.693 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.895 4.250 10.894 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.296 4.179 12.890 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.476 5.696 12.452 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.232 5.533 12.214 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.373 7.784 7.883 1.00 0.00 N ATOM 1259 CA LEU A 90 -6.305 8.802 6.849 1.00 0.00 C ATOM 1260 C LEU A 90 -7.063 10.047 7.315 1.00 0.00 C ATOM 1261 O LEU A 90 -6.591 11.169 7.135 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.800 8.245 5.513 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.938 7.149 4.883 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.281 6.965 3.403 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.450 7.432 5.096 1.00 0.00 C ATOM 0 H LEU A 90 -6.917 6.958 7.633 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.271 9.102 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.806 7.851 5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.879 9.070 4.805 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.161 6.207 5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.654 6.180 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.330 6.685 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.104 7.899 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.860 6.638 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.192 8.386 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.237 7.473 6.164 1.00 0.00 H new ATOM 1277 N ARG A 91 -8.225 9.808 7.904 1.00 0.00 N ATOM 1278 CA ARG A 91 -9.053 10.896 8.397 1.00 0.00 C ATOM 1279 C ARG A 91 -8.334 11.641 9.523 1.00 0.00 C ATOM 1280 O ARG A 91 -8.537 12.840 9.707 1.00 0.00 O ATOM 1281 CB ARG A 91 -10.395 10.375 8.914 1.00 0.00 C ATOM 1282 CG ARG A 91 -11.292 9.927 7.758 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.489 10.866 7.596 1.00 0.00 C ATOM 1284 NE ARG A 91 -12.673 11.211 6.169 1.00 0.00 N ATOM 1285 CZ ARG A 91 -13.539 12.132 5.724 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -14.306 12.805 6.593 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -13.639 12.379 4.411 1.00 0.00 N ATOM 0 H ARG A 91 -8.613 8.876 8.051 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.237 11.577 7.566 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.227 9.539 9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.896 11.156 9.486 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.715 9.905 6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.644 8.911 7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.390 10.390 7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.332 11.773 8.180 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.105 10.717 5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.230 12.616 7.593 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.965 13.506 6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.056 11.866 3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.298 13.080 4.073 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.509 10.900 10.248 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.759 11.475 11.352 1.00 0.00 C ATOM 1303 C ASP A 92 -5.484 12.125 10.812 1.00 0.00 C ATOM 1304 O ASP A 92 -5.159 13.256 11.171 1.00 0.00 O ATOM 1305 CB ASP A 92 -6.351 10.400 12.361 1.00 0.00 C ATOM 1306 CG ASP A 92 -6.264 10.875 13.812 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -7.343 11.112 14.398 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -5.121 10.991 14.304 1.00 0.00 O ATOM 0 H ASP A 92 -7.343 9.906 10.092 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.396 12.209 11.846 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.067 9.580 12.305 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.382 9.997 12.068 1.00 0.00 H new ATOM 1313 N SER A 93 -4.795 11.383 9.958 1.00 0.00 N ATOM 1314 CA SER A 93 -3.563 11.873 9.365 1.00 0.00 C ATOM 1315 C SER A 93 -3.723 13.340 8.960 1.00 0.00 C ATOM 1316 O SER A 93 -2.814 14.144 9.155 1.00 0.00 O ATOM 1317 CB SER A 93 -3.161 11.029 8.153 1.00 0.00 C ATOM 1318 OG SER A 93 -2.832 9.692 8.519 1.00 0.00 O ATOM 0 H SER A 93 -5.067 10.445 9.662 1.00 0.00 H new ATOM 0 HA SER A 93 -2.771 11.793 10.109 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.979 11.017 7.432 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.306 11.490 7.658 1.00 0.00 H new ATOM 0 HG SER A 93 -3.526 9.335 9.112 1.00 0.00 H new ATOM 1324 N SER A 94 -4.888 13.643 8.405 1.00 0.00 N ATOM 1325 CA SER A 94 -5.179 14.999 7.972 1.00 0.00 C ATOM 1326 C SER A 94 -4.685 16.000 9.018 1.00 0.00 C ATOM 1327 O SER A 94 -4.325 17.128 8.682 1.00 0.00 O ATOM 1328 CB SER A 94 -6.677 15.187 7.722 1.00 0.00 C ATOM 1329 OG SER A 94 -6.950 16.378 6.989 1.00 0.00 O ATOM 0 H SER A 94 -5.640 12.973 8.246 1.00 0.00 H new ATOM 0 HA SER A 94 -4.656 15.178 7.033 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.064 14.328 7.175 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.203 15.220 8.676 1.00 0.00 H new ATOM 0 HG SER A 94 -7.916 16.461 6.848 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.684 15.553 10.265 1.00 0.00 N ATOM 1336 CA ILE A 95 -4.240 16.396 11.362 1.00 0.00 C ATOM 1337 C ILE A 95 -2.858 16.966 11.035 1.00 0.00 C ATOM 1338 O ILE A 95 -2.716 18.167 10.810 1.00 0.00 O ATOM 1339 CB ILE A 95 -4.290 15.626 12.683 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.731 15.479 13.177 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.388 16.278 13.733 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.892 14.218 14.030 1.00 0.00 C ATOM 0 H ILE A 95 -4.984 14.618 10.540 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.914 17.244 11.487 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.905 14.621 12.508 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.010 16.356 13.761 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.409 15.435 12.325 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.442 15.711 14.662 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.359 16.288 13.373 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.719 17.301 13.913 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.925 14.137 14.368 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.635 13.341 13.435 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.231 14.277 14.894 1.00 0.00 H new ATOM 1354 N THR A 96 -1.875 16.077 11.019 1.00 0.00 N ATOM 1355 CA THR A 96 -0.510 16.477 10.723 1.00 0.00 C ATOM 1356 C THR A 96 -0.365 16.822 9.239 1.00 0.00 C ATOM 1357 O THR A 96 0.689 17.284 8.806 1.00 0.00 O ATOM 1358 CB THR A 96 0.421 15.353 11.179 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.727 15.845 10.891 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.295 14.099 10.311 1.00 0.00 C ATOM 0 H THR A 96 -1.997 15.082 11.206 1.00 0.00 H new ATOM 0 HA THR A 96 -0.238 17.384 11.263 1.00 0.00 H new ATOM 0 HB THR A 96 0.202 15.099 12.216 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.674 16.518 10.181 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.977 13.332 10.678 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.728 13.726 10.357 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.546 14.344 9.279 1.00 0.00 H new ATOM 1368 N SER A 97 -1.439 16.583 8.501 1.00 0.00 N ATOM 1369 CA SER A 97 -1.445 16.862 7.075 1.00 0.00 C ATOM 1370 C SER A 97 -0.390 16.007 6.370 1.00 0.00 C ATOM 1371 O SER A 97 0.105 16.377 5.307 1.00 0.00 O ATOM 1372 CB SER A 97 -1.192 18.346 6.803 1.00 0.00 C ATOM 1373 OG SER A 97 -2.401 19.054 6.539 1.00 0.00 O ATOM 0 H SER A 97 -2.311 16.199 8.864 1.00 0.00 H new ATOM 0 HA SER A 97 -2.430 16.611 6.682 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.691 18.792 7.662 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.518 18.449 5.952 1.00 0.00 H new ATOM 0 HG SER A 97 -2.198 19.998 6.372 1.00 0.00 H new ATOM 1379 N LYS A 98 -0.078 14.878 6.991 1.00 0.00 N ATOM 1380 CA LYS A 98 0.909 13.967 6.437 1.00 0.00 C ATOM 1381 C LYS A 98 0.552 12.533 6.832 1.00 0.00 C ATOM 1382 O LYS A 98 -0.091 12.310 7.857 1.00 0.00 O ATOM 1383 CB LYS A 98 2.320 14.387 6.854 1.00 0.00 C ATOM 1384 CG LYS A 98 3.356 13.922 5.828 1.00 0.00 C ATOM 1385 CD LYS A 98 4.524 14.907 5.744 1.00 0.00 C ATOM 1386 CE LYS A 98 4.462 15.720 4.449 1.00 0.00 C ATOM 1387 NZ LYS A 98 5.809 15.839 3.847 1.00 0.00 N ATOM 0 H LYS A 98 -0.492 14.574 7.872 1.00 0.00 H new ATOM 0 HA LYS A 98 0.898 14.010 5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.365 15.471 6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.555 13.965 7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.727 12.935 6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.886 13.825 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.500 15.579 6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.467 14.363 5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.783 15.241 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.060 16.712 4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.811 16.611 3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.505 16.043 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.058 14.946 3.375 1.00 0.00 H new ATOM 1401 N VAL A 99 0.984 11.598 5.999 1.00 0.00 N ATOM 1402 CA VAL A 99 0.718 10.192 6.248 1.00 0.00 C ATOM 1403 C VAL A 99 1.907 9.359 5.768 1.00 0.00 C ATOM 1404 O VAL A 99 2.622 9.762 4.851 1.00 0.00 O ATOM 1405 CB VAL A 99 -0.602 9.784 5.591 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.475 9.774 4.066 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.077 8.426 6.110 1.00 0.00 C ATOM 0 H VAL A 99 1.517 11.787 5.150 1.00 0.00 H new ATOM 0 HA VAL A 99 0.604 10.009 7.316 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.353 10.526 5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.427 9.481 3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.204 10.770 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.297 9.064 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.017 8.160 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.327 7.668 5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.226 8.481 7.188 1.00 0.00 H new ATOM 1417 N THR A 100 2.083 8.212 6.408 1.00 0.00 N ATOM 1418 CA THR A 100 3.174 7.319 6.057 1.00 0.00 C ATOM 1419 C THR A 100 2.630 5.955 5.626 1.00 0.00 C ATOM 1420 O THR A 100 2.328 5.110 6.467 1.00 0.00 O ATOM 1421 CB THR A 100 4.127 7.243 7.252 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.122 8.565 7.783 1.00 0.00 O ATOM 1423 CG2 THR A 100 5.579 7.017 6.829 1.00 0.00 C ATOM 0 H THR A 100 1.488 7.881 7.168 1.00 0.00 H new ATOM 0 HA THR A 100 3.733 7.696 5.201 1.00 0.00 H new ATOM 0 HB THR A 100 3.813 6.438 7.916 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.713 8.606 8.563 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.213 6.971 7.714 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.656 6.079 6.278 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.905 7.839 6.192 1.00 0.00 H new ATOM 1431 N LEU A 101 2.520 5.784 4.317 1.00 0.00 N ATOM 1432 CA LEU A 101 2.017 4.538 3.765 1.00 0.00 C ATOM 1433 C LEU A 101 3.194 3.610 3.456 1.00 0.00 C ATOM 1434 O LEU A 101 3.986 3.886 2.556 1.00 0.00 O ATOM 1435 CB LEU A 101 1.116 4.811 2.559 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.263 5.395 2.872 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -0.166 6.494 3.932 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -0.952 5.887 1.597 1.00 0.00 C ATOM 0 H LEU A 101 2.771 6.488 3.623 1.00 0.00 H new ATOM 0 HA LEU A 101 1.389 4.025 4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.636 5.497 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.978 3.877 2.014 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.884 4.601 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.160 6.892 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.254 6.079 4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.478 7.295 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.930 6.297 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.343 6.661 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.074 5.054 0.905 1.00 0.00 H new ATOM 1450 N GLU A 102 3.271 2.530 4.218 1.00 0.00 N ATOM 1451 CA GLU A 102 4.338 1.560 4.037 1.00 0.00 C ATOM 1452 C GLU A 102 3.912 0.483 3.038 1.00 0.00 C ATOM 1453 O GLU A 102 3.093 -0.378 3.359 1.00 0.00 O ATOM 1454 CB GLU A 102 4.747 0.938 5.374 1.00 0.00 C ATOM 1455 CG GLU A 102 6.068 0.178 5.243 1.00 0.00 C ATOM 1456 CD GLU A 102 7.085 0.664 6.279 1.00 0.00 C ATOM 1457 OE1 GLU A 102 6.742 0.609 7.479 1.00 0.00 O ATOM 1458 OE2 GLU A 102 8.181 1.080 5.846 1.00 0.00 O ATOM 0 H GLU A 102 2.612 2.304 4.963 1.00 0.00 H new ATOM 0 HA GLU A 102 5.209 2.078 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.846 1.719 6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.966 0.260 5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.892 -0.890 5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.472 0.314 4.240 1.00 0.00 H new ATOM 1465 N ILE A 103 4.486 0.565 1.847 1.00 0.00 N ATOM 1466 CA ILE A 103 4.175 -0.393 0.799 1.00 0.00 C ATOM 1467 C ILE A 103 5.270 -1.461 0.749 1.00 0.00 C ATOM 1468 O ILE A 103 6.354 -1.269 1.298 1.00 0.00 O ATOM 1469 CB ILE A 103 3.955 0.325 -0.535 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.858 1.384 -0.413 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.664 -0.676 -1.655 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.470 0.739 -0.423 1.00 0.00 C ATOM 0 H ILE A 103 5.165 1.280 1.584 1.00 0.00 H new ATOM 0 HA ILE A 103 3.238 -0.906 1.017 1.00 0.00 H new ATOM 0 HB ILE A 103 4.876 0.845 -0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.994 1.949 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.939 2.094 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.512 -0.140 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.507 -1.359 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.766 -1.243 -1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.708 1.514 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.328 0.195 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.384 0.048 0.416 1.00 0.00 H new ATOM 1484 N GLU A 104 4.948 -2.562 0.086 1.00 0.00 N ATOM 1485 CA GLU A 104 5.891 -3.660 -0.042 1.00 0.00 C ATOM 1486 C GLU A 104 5.952 -4.140 -1.494 1.00 0.00 C ATOM 1487 O GLU A 104 4.919 -4.328 -2.134 1.00 0.00 O ATOM 1488 CB GLU A 104 5.525 -4.809 0.899 1.00 0.00 C ATOM 1489 CG GLU A 104 6.150 -6.124 0.429 1.00 0.00 C ATOM 1490 CD GLU A 104 6.435 -7.051 1.612 1.00 0.00 C ATOM 1491 OE1 GLU A 104 7.037 -6.555 2.589 1.00 0.00 O ATOM 1492 OE2 GLU A 104 6.043 -8.234 1.514 1.00 0.00 O ATOM 0 H GLU A 104 4.048 -2.717 -0.368 1.00 0.00 H new ATOM 0 HA GLU A 104 6.879 -3.300 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.867 -4.580 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.441 -4.914 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.478 -6.620 -0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.076 -5.919 -0.108 1.00 0.00 H new ATOM 1499 N PHE A 105 7.175 -4.322 -1.972 1.00 0.00 N ATOM 1500 CA PHE A 105 7.385 -4.776 -3.336 1.00 0.00 C ATOM 1501 C PHE A 105 8.429 -5.893 -3.388 1.00 0.00 C ATOM 1502 O PHE A 105 9.022 -6.241 -2.368 1.00 0.00 O ATOM 1503 CB PHE A 105 7.899 -3.575 -4.133 1.00 0.00 C ATOM 1504 CG PHE A 105 9.020 -2.801 -3.436 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.741 -2.032 -2.349 1.00 0.00 C ATOM 1506 CD2 PHE A 105 10.294 -2.881 -3.904 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.781 -1.313 -1.703 1.00 0.00 C ATOM 1508 CE2 PHE A 105 11.334 -2.162 -3.257 1.00 0.00 C ATOM 1509 CZ PHE A 105 11.056 -1.393 -2.171 1.00 0.00 C ATOM 0 H PHE A 105 8.030 -4.163 -1.439 1.00 0.00 H new ATOM 0 HA PHE A 105 6.454 -5.167 -3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.258 -3.922 -5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 105 7.068 -2.897 -4.325 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.729 -1.968 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.515 -3.491 -4.767 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.560 -0.702 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.346 -2.226 -3.628 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.847 -0.846 -1.680 1.00 0.00 H new ATOM 1519 N ASP A 106 8.623 -6.424 -4.586 1.00 0.00 N ATOM 1520 CA ASP A 106 9.585 -7.494 -4.785 1.00 0.00 C ATOM 1521 C ASP A 106 10.828 -6.934 -5.480 1.00 0.00 C ATOM 1522 O ASP A 106 10.767 -5.883 -6.115 1.00 0.00 O ATOM 1523 CB ASP A 106 9.006 -8.599 -5.670 1.00 0.00 C ATOM 1524 CG ASP A 106 7.509 -8.856 -5.487 1.00 0.00 C ATOM 1525 OD1 ASP A 106 7.172 -9.597 -4.538 1.00 0.00 O ATOM 1526 OD2 ASP A 106 6.735 -8.306 -6.300 1.00 0.00 O ATOM 0 H ASP A 106 8.129 -6.133 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 106 9.834 -7.909 -3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.190 -8.342 -6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 106 9.545 -9.525 -5.469 1.00 0.00 H new