USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 822 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 26 LYS NZ :NH3+ 179:sc= 1.97 (180deg=1.02) USER MOD Set 1.2: A 59 THR OG1 : rot -74:sc= 0.833 USER MOD Set 2.1: A 37 CYS SG : rot 171:sc= 0.402 USER MOD Set 2.2: A 40 CYS SG : rot 86:sc= 0.539 USER MOD Set 3.1: A 13 THR OG1 : rot -45:sc= 0.694 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 1.15 USER MOD Single : A 9 THR OG1 : rot -24:sc= 0.102 USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.13) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 69:sc= 1.02 USER MOD Single : A 24 SER OG : rot 180:sc= 0.00543 USER MOD Single : A 25 ASN : amide:sc= 0.927 K(o=0.93,f=-0.068) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 72:sc= 1.04 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 1.54 (180deg=1.41) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.482 K(o=0.48,f=-2.4!) USER MOD Single : A 71 THR OG1 : rot -43:sc= 0.564 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 85:sc= 1.31 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.686 K(o=0.69,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= 3.44 (180deg=3.28) USER MOD Single : A 99 LYS NZ :NH3+ -118:sc= 1.05 (180deg=0.943) USER MOD Single : A 101 LYS NZ :NH3+ -169:sc= 2.44 (180deg=2.26) USER MOD Single : A 109 SER OG : rot 41:sc= 0.877 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 9 2.877 0.395 10.246 1.00 0.00 N ATOM 115 CA THR A 9 1.910 -0.437 9.501 1.00 0.00 C ATOM 116 C THR A 9 0.496 -0.412 10.101 1.00 0.00 C ATOM 117 O THR A 9 0.327 -0.389 11.324 1.00 0.00 O ATOM 118 CB THR A 9 2.383 -1.896 9.370 1.00 0.00 C ATOM 119 OG1 THR A 9 2.731 -2.436 10.629 1.00 0.00 O ATOM 120 CG2 THR A 9 3.599 -2.022 8.453 1.00 0.00 C ATOM 0 HA THR A 9 1.859 0.014 8.510 1.00 0.00 H new ATOM 0 HB THR A 9 1.546 -2.447 8.942 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.962 -1.709 11.244 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.900 -3.068 8.389 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.344 -1.656 7.458 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.422 -1.432 8.857 1.00 0.00 H new ATOM 128 N ILE A 10 -0.528 -0.469 9.237 1.00 0.00 N ATOM 129 CA ILE A 10 -1.962 -0.602 9.583 1.00 0.00 C ATOM 130 C ILE A 10 -2.702 -1.528 8.597 1.00 0.00 C ATOM 131 O ILE A 10 -2.283 -1.679 7.449 1.00 0.00 O ATOM 132 CB ILE A 10 -2.676 0.776 9.661 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.647 1.551 8.322 1.00 0.00 C ATOM 134 CG2 ILE A 10 -2.113 1.630 10.812 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.509 2.818 8.304 1.00 0.00 C ATOM 0 H ILE A 10 -0.378 -0.422 8.229 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.997 -1.055 10.574 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.725 0.566 9.870 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.616 1.825 8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.982 0.887 7.525 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.632 2.588 10.842 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.260 1.108 11.758 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.048 1.799 10.653 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.430 3.298 7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.549 2.553 8.495 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.162 3.505 9.076 1.00 0.00 H new ATOM 147 N LYS A 11 -3.837 -2.107 9.008 1.00 0.00 N ATOM 148 CA LYS A 11 -4.843 -2.708 8.105 1.00 0.00 C ATOM 149 C LYS A 11 -6.020 -1.755 7.875 1.00 0.00 C ATOM 150 O LYS A 11 -6.423 -1.036 8.792 1.00 0.00 O ATOM 151 CB LYS A 11 -5.346 -4.056 8.651 1.00 0.00 C ATOM 152 CG LYS A 11 -4.370 -5.211 8.381 1.00 0.00 C ATOM 153 CD LYS A 11 -4.955 -6.530 8.911 1.00 0.00 C ATOM 154 CE LYS A 11 -4.061 -7.742 8.622 1.00 0.00 C ATOM 155 NZ LYS A 11 -4.050 -8.106 7.182 1.00 0.00 N ATOM 0 H LYS A 11 -4.092 -2.175 9.993 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.355 -2.887 7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.510 -3.969 9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.310 -4.288 8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.178 -5.293 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.413 -5.009 8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.108 -6.447 9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.935 -6.693 8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.043 -7.525 8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.408 -8.594 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.473 -8.960 7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.023 -8.290 6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.646 -7.323 6.629 1.00 0.00 H new ATOM 169 N VAL A 12 -6.587 -1.782 6.668 1.00 0.00 N ATOM 170 CA VAL A 12 -7.800 -1.041 6.276 1.00 0.00 C ATOM 171 C VAL A 12 -8.810 -1.954 5.565 1.00 0.00 C ATOM 172 O VAL A 12 -8.439 -2.949 4.940 1.00 0.00 O ATOM 173 CB VAL A 12 -7.471 0.216 5.437 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.678 1.229 6.268 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.682 -0.075 4.154 1.00 0.00 C ATOM 0 H VAL A 12 -6.205 -2.339 5.904 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.269 -0.688 7.194 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.440 0.619 5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.457 2.106 5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.267 1.529 7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.745 0.775 6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.492 0.858 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.733 -0.547 4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.259 -0.744 3.516 1.00 0.00 H new ATOM 185 N THR A 13 -10.096 -1.621 5.682 1.00 0.00 N ATOM 186 CA THR A 13 -11.240 -2.339 5.087 1.00 0.00 C ATOM 187 C THR A 13 -12.070 -1.399 4.217 1.00 0.00 C ATOM 188 O THR A 13 -11.941 -0.179 4.329 1.00 0.00 O ATOM 189 CB THR A 13 -12.154 -2.954 6.165 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.817 -1.954 6.910 1.00 0.00 O ATOM 191 CG2 THR A 13 -11.418 -3.874 7.139 1.00 0.00 C ATOM 0 H THR A 13 -10.390 -0.805 6.219 1.00 0.00 H new ATOM 0 HA THR A 13 -10.827 -3.143 4.478 1.00 0.00 H new ATOM 0 HB THR A 13 -12.874 -3.556 5.611 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.180 -1.250 7.152 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.124 -4.270 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.964 -4.698 6.589 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.640 -3.310 7.655 1.00 0.00 H new ATOM 199 N ASP A 14 -12.995 -1.918 3.406 1.00 0.00 N ATOM 200 CA ASP A 14 -13.908 -1.069 2.621 1.00 0.00 C ATOM 201 C ASP A 14 -14.785 -0.147 3.506 1.00 0.00 C ATOM 202 O ASP A 14 -15.226 0.915 3.061 1.00 0.00 O ATOM 203 CB ASP A 14 -14.764 -1.945 1.692 1.00 0.00 C ATOM 204 CG ASP A 14 -15.426 -1.106 0.587 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.689 -0.589 -0.286 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.675 -0.984 0.580 1.00 0.00 O ATOM 0 H ASP A 14 -13.135 -2.919 3.273 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.297 -0.400 2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.141 -2.718 1.241 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.532 -2.454 2.274 1.00 0.00 H new ATOM 211 N ALA A 15 -14.997 -0.526 4.774 1.00 0.00 N ATOM 212 CA ALA A 15 -15.708 0.257 5.787 1.00 0.00 C ATOM 213 C ALA A 15 -14.840 1.301 6.535 1.00 0.00 C ATOM 214 O ALA A 15 -15.399 2.168 7.214 1.00 0.00 O ATOM 215 CB ALA A 15 -16.356 -0.735 6.763 1.00 0.00 C ATOM 0 H ALA A 15 -14.664 -1.421 5.133 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.455 0.865 5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.896 -0.186 7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.050 -1.378 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.582 -1.347 7.227 1.00 0.00 H new ATOM 221 N SER A 16 -13.502 1.245 6.436 1.00 0.00 N ATOM 222 CA SER A 16 -12.564 2.091 7.207 1.00 0.00 C ATOM 223 C SER A 16 -11.511 2.837 6.375 1.00 0.00 C ATOM 224 O SER A 16 -10.886 3.772 6.879 1.00 0.00 O ATOM 225 CB SER A 16 -11.882 1.262 8.303 1.00 0.00 C ATOM 226 OG SER A 16 -11.071 0.226 7.766 1.00 0.00 O ATOM 0 H SER A 16 -13.028 0.598 5.806 1.00 0.00 H new ATOM 0 HA SER A 16 -13.185 2.874 7.643 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.269 1.916 8.923 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.641 0.827 8.953 1.00 0.00 H new ATOM 0 HG SER A 16 -10.655 -0.276 8.498 1.00 0.00 H new ATOM 232 N PHE A 17 -11.346 2.497 5.091 1.00 0.00 N ATOM 233 CA PHE A 17 -10.369 3.097 4.175 1.00 0.00 C ATOM 234 C PHE A 17 -10.467 4.627 4.134 1.00 0.00 C ATOM 235 O PHE A 17 -9.451 5.320 4.157 1.00 0.00 O ATOM 236 CB PHE A 17 -10.587 2.508 2.772 1.00 0.00 C ATOM 237 CG PHE A 17 -9.441 2.709 1.801 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.232 3.952 1.174 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.609 1.621 1.483 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.184 4.108 0.251 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.601 1.763 0.517 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.377 3.009 -0.089 1.00 0.00 C ATOM 0 H PHE A 17 -11.908 1.772 4.646 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.368 2.861 4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.776 1.439 2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.486 2.952 2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.878 4.787 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.746 0.674 1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.999 5.073 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.997 0.912 0.239 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.586 3.123 -0.815 1.00 0.00 H new ATOM 252 N ALA A 18 -11.683 5.180 4.123 1.00 0.00 N ATOM 253 CA ALA A 18 -11.871 6.625 4.085 1.00 0.00 C ATOM 254 C ALA A 18 -11.399 7.331 5.370 1.00 0.00 C ATOM 255 O ALA A 18 -10.825 8.416 5.295 1.00 0.00 O ATOM 256 CB ALA A 18 -13.335 6.925 3.754 1.00 0.00 C ATOM 0 H ALA A 18 -12.551 4.644 4.140 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.236 7.036 3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.487 8.004 3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.584 6.495 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.978 6.490 4.519 1.00 0.00 H new ATOM 262 N THR A 19 -11.585 6.718 6.541 1.00 0.00 N ATOM 263 CA THR A 19 -11.185 7.281 7.847 1.00 0.00 C ATOM 264 C THR A 19 -9.688 7.117 8.145 1.00 0.00 C ATOM 265 O THR A 19 -9.118 7.918 8.885 1.00 0.00 O ATOM 266 CB THR A 19 -12.020 6.643 8.977 1.00 0.00 C ATOM 267 OG1 THR A 19 -13.388 6.590 8.615 1.00 0.00 O ATOM 268 CG2 THR A 19 -11.950 7.418 10.295 1.00 0.00 C ATOM 0 H THR A 19 -12.025 5.801 6.617 1.00 0.00 H new ATOM 0 HA THR A 19 -11.379 8.352 7.797 1.00 0.00 H new ATOM 0 HB THR A 19 -11.593 5.650 9.120 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.903 6.181 9.342 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.559 6.915 11.046 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.916 7.462 10.637 1.00 0.00 H new ATOM 0 HG23 THR A 19 -12.325 8.430 10.142 1.00 0.00 H new ATOM 276 N ASP A 20 -9.026 6.109 7.567 1.00 0.00 N ATOM 277 CA ASP A 20 -7.597 5.837 7.796 1.00 0.00 C ATOM 278 C ASP A 20 -6.677 6.353 6.674 1.00 0.00 C ATOM 279 O ASP A 20 -5.585 6.847 6.958 1.00 0.00 O ATOM 280 CB ASP A 20 -7.396 4.334 8.035 1.00 0.00 C ATOM 281 CG ASP A 20 -7.747 3.946 9.482 1.00 0.00 C ATOM 282 OD1 ASP A 20 -6.951 4.263 10.398 1.00 0.00 O ATOM 283 OD2 ASP A 20 -8.809 3.321 9.715 1.00 0.00 O ATOM 0 H ASP A 20 -9.467 5.453 6.922 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.302 6.397 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.019 3.767 7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.361 4.066 7.825 1.00 0.00 H new ATOM 288 N VAL A 21 -7.108 6.266 5.410 1.00 0.00 N ATOM 289 CA VAL A 21 -6.326 6.680 4.230 1.00 0.00 C ATOM 290 C VAL A 21 -6.748 8.070 3.742 1.00 0.00 C ATOM 291 O VAL A 21 -5.934 8.993 3.714 1.00 0.00 O ATOM 292 CB VAL A 21 -6.421 5.642 3.089 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.403 5.936 1.985 1.00 0.00 C ATOM 294 CG2 VAL A 21 -6.176 4.206 3.573 1.00 0.00 C ATOM 0 H VAL A 21 -8.029 5.899 5.170 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.282 6.735 4.539 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.439 5.724 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.495 5.189 1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.592 6.926 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.396 5.903 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.255 3.519 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.179 4.134 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.920 3.944 4.325 1.00 0.00 H new ATOM 304 N LEU A 22 -8.028 8.249 3.390 1.00 0.00 N ATOM 305 CA LEU A 22 -8.517 9.478 2.735 1.00 0.00 C ATOM 306 C LEU A 22 -8.668 10.671 3.697 1.00 0.00 C ATOM 307 O LEU A 22 -8.626 11.824 3.266 1.00 0.00 O ATOM 308 CB LEU A 22 -9.819 9.213 1.957 1.00 0.00 C ATOM 309 CG LEU A 22 -9.768 8.016 0.989 1.00 0.00 C ATOM 310 CD1 LEU A 22 -11.134 7.815 0.333 1.00 0.00 C ATOM 311 CD2 LEU A 22 -8.730 8.163 -0.123 1.00 0.00 C ATOM 0 H LEU A 22 -8.755 7.551 3.549 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.744 9.769 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.625 9.048 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.074 10.108 1.390 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.482 7.159 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.088 6.967 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.882 7.622 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.407 8.713 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.755 7.281 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.956 9.049 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.738 8.265 0.317 1.00 0.00 H new ATOM 323 N SER A 23 -8.800 10.407 4.999 1.00 0.00 N ATOM 324 CA SER A 23 -8.858 11.432 6.052 1.00 0.00 C ATOM 325 C SER A 23 -7.472 11.952 6.476 1.00 0.00 C ATOM 326 O SER A 23 -7.387 12.938 7.211 1.00 0.00 O ATOM 327 CB SER A 23 -9.620 10.913 7.272 1.00 0.00 C ATOM 328 OG SER A 23 -10.976 10.682 6.932 1.00 0.00 O ATOM 0 H SER A 23 -8.871 9.456 5.361 1.00 0.00 H new ATOM 0 HA SER A 23 -9.392 12.278 5.620 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.164 9.990 7.631 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.558 11.636 8.085 1.00 0.00 H new ATOM 0 HG SER A 23 -11.035 9.917 6.323 1.00 0.00 H new ATOM 334 N SER A 24 -6.380 11.301 6.048 1.00 0.00 N ATOM 335 CA SER A 24 -5.015 11.628 6.483 1.00 0.00 C ATOM 336 C SER A 24 -4.382 12.770 5.679 1.00 0.00 C ATOM 337 O SER A 24 -4.389 12.765 4.445 1.00 0.00 O ATOM 338 CB SER A 24 -4.115 10.392 6.443 1.00 0.00 C ATOM 339 OG SER A 24 -2.894 10.700 7.095 1.00 0.00 O ATOM 0 H SER A 24 -6.420 10.527 5.385 1.00 0.00 H new ATOM 0 HA SER A 24 -5.103 11.976 7.512 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.605 9.551 6.935 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.928 10.093 5.412 1.00 0.00 H new ATOM 0 HG SER A 24 -2.307 9.915 7.078 1.00 0.00 H new ATOM 345 N ASN A 25 -3.781 13.727 6.394 1.00 0.00 N ATOM 346 CA ASN A 25 -2.971 14.815 5.832 1.00 0.00 C ATOM 347 C ASN A 25 -1.470 14.456 5.719 1.00 0.00 C ATOM 348 O ASN A 25 -0.685 15.216 5.147 1.00 0.00 O ATOM 349 CB ASN A 25 -3.259 16.083 6.657 1.00 0.00 C ATOM 350 CG ASN A 25 -2.546 17.332 6.155 1.00 0.00 C ATOM 351 OD1 ASN A 25 -1.759 17.948 6.863 1.00 0.00 O ATOM 352 ND2 ASN A 25 -2.810 17.773 4.947 1.00 0.00 N ATOM 0 H ASN A 25 -3.846 13.768 7.411 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.254 14.998 4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.333 16.267 6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.967 15.903 7.692 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.361 18.622 4.605 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.464 17.266 4.351 1.00 0.00 H new ATOM 359 N LYS A 26 -1.067 13.279 6.221 1.00 0.00 N ATOM 360 CA LYS A 26 0.261 12.679 6.013 1.00 0.00 C ATOM 361 C LYS A 26 0.231 11.794 4.751 1.00 0.00 C ATOM 362 O LYS A 26 -0.777 11.115 4.531 1.00 0.00 O ATOM 363 CB LYS A 26 0.636 11.859 7.263 1.00 0.00 C ATOM 364 CG LYS A 26 2.077 11.322 7.239 1.00 0.00 C ATOM 365 CD LYS A 26 2.310 10.321 8.376 1.00 0.00 C ATOM 366 CE LYS A 26 3.734 9.760 8.303 1.00 0.00 C ATOM 367 NZ LYS A 26 3.921 8.639 9.259 1.00 0.00 N ATOM 0 H LYS A 26 -1.674 12.700 6.801 1.00 0.00 H new ATOM 0 HA LYS A 26 1.013 13.454 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.504 12.481 8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.054 11.020 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.274 10.841 6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.779 12.151 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.152 10.809 9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.587 9.508 8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.940 9.415 7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.451 10.551 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.889 8.269 9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.764 8.980 10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.241 7.882 9.044 1.00 0.00 H new ATOM 381 N PRO A 27 1.312 11.728 3.950 1.00 0.00 N ATOM 382 CA PRO A 27 1.440 10.725 2.896 1.00 0.00 C ATOM 383 C PRO A 27 1.254 9.297 3.438 1.00 0.00 C ATOM 384 O PRO A 27 1.838 8.912 4.456 1.00 0.00 O ATOM 385 CB PRO A 27 2.824 10.951 2.282 1.00 0.00 C ATOM 386 CG PRO A 27 3.076 12.436 2.537 1.00 0.00 C ATOM 387 CD PRO A 27 2.436 12.650 3.907 1.00 0.00 C ATOM 0 HA PRO A 27 0.660 10.830 2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.582 10.326 2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.836 10.717 1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.140 12.671 2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.617 13.063 1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.145 12.445 4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.105 13.681 4.030 1.00 0.00 H new ATOM 395 N VAL A 28 0.411 8.511 2.769 1.00 0.00 N ATOM 396 CA VAL A 28 -0.026 7.181 3.211 1.00 0.00 C ATOM 397 C VAL A 28 -0.076 6.222 2.021 1.00 0.00 C ATOM 398 O VAL A 28 -0.612 6.545 0.961 1.00 0.00 O ATOM 399 CB VAL A 28 -1.341 7.263 4.017 1.00 0.00 C ATOM 400 CG1 VAL A 28 -2.488 7.948 3.269 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.819 5.884 4.493 1.00 0.00 C ATOM 0 H VAL A 28 -0.001 8.788 1.878 1.00 0.00 H new ATOM 0 HA VAL A 28 0.705 6.767 3.906 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.084 7.882 4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.376 7.966 3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.200 8.969 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.706 7.397 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.747 5.994 5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.992 5.241 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.059 5.436 5.133 1.00 0.00 H new ATOM 411 N LEU A 29 0.539 5.051 2.182 1.00 0.00 N ATOM 412 CA LEU A 29 0.869 4.138 1.091 1.00 0.00 C ATOM 413 C LEU A 29 0.174 2.791 1.319 1.00 0.00 C ATOM 414 O LEU A 29 0.518 2.069 2.251 1.00 0.00 O ATOM 415 CB LEU A 29 2.405 4.050 1.035 1.00 0.00 C ATOM 416 CG LEU A 29 2.995 3.492 -0.270 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.516 3.561 -0.192 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.610 2.041 -0.551 1.00 0.00 C ATOM 0 H LEU A 29 0.828 4.704 3.097 1.00 0.00 H new ATOM 0 HA LEU A 29 0.510 4.488 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.814 5.047 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.745 3.426 1.862 1.00 0.00 H new ATOM 0 HG LEU A 29 2.588 4.102 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.946 3.167 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.827 4.597 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.864 2.968 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.064 1.719 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.965 1.407 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.526 1.960 -0.627 1.00 0.00 H new ATOM 430 N VAL A 30 -0.801 2.446 0.478 1.00 0.00 N ATOM 431 CA VAL A 30 -1.646 1.255 0.643 1.00 0.00 C ATOM 432 C VAL A 30 -1.220 0.139 -0.308 1.00 0.00 C ATOM 433 O VAL A 30 -1.199 0.325 -1.523 1.00 0.00 O ATOM 434 CB VAL A 30 -3.144 1.559 0.454 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.963 0.390 1.022 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.615 2.855 1.128 1.00 0.00 C ATOM 0 H VAL A 30 -1.033 2.993 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.504 0.923 1.671 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.297 1.690 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.026 0.594 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.703 -0.527 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.742 0.272 2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.681 2.993 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.435 2.793 2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.064 3.700 0.716 1.00 0.00 H new ATOM 446 N ASP A 31 -0.927 -1.036 0.240 1.00 0.00 N ATOM 447 CA ASP A 31 -0.657 -2.274 -0.488 1.00 0.00 C ATOM 448 C ASP A 31 -1.922 -3.150 -0.565 1.00 0.00 C ATOM 449 O ASP A 31 -2.417 -3.657 0.446 1.00 0.00 O ATOM 450 CB ASP A 31 0.521 -2.987 0.188 1.00 0.00 C ATOM 451 CG ASP A 31 0.781 -4.386 -0.386 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.720 -4.553 -1.625 1.00 0.00 O ATOM 453 OD2 ASP A 31 1.062 -5.304 0.420 1.00 0.00 O ATOM 0 H ASP A 31 -0.868 -1.158 1.251 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.381 -2.058 -1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.420 -2.381 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.324 -3.069 1.257 1.00 0.00 H new ATOM 458 N PHE A 32 -2.444 -3.315 -1.780 1.00 0.00 N ATOM 459 CA PHE A 32 -3.555 -4.197 -2.131 1.00 0.00 C ATOM 460 C PHE A 32 -2.993 -5.592 -2.440 1.00 0.00 C ATOM 461 O PHE A 32 -2.290 -5.782 -3.439 1.00 0.00 O ATOM 462 CB PHE A 32 -4.331 -3.604 -3.318 1.00 0.00 C ATOM 463 CG PHE A 32 -5.050 -2.295 -3.024 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.339 -1.079 -2.951 1.00 0.00 C ATOM 465 CD2 PHE A 32 -6.447 -2.288 -2.854 1.00 0.00 C ATOM 466 CE1 PHE A 32 -5.017 0.127 -2.700 1.00 0.00 C ATOM 467 CE2 PHE A 32 -7.125 -1.080 -2.612 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.412 0.128 -2.532 1.00 0.00 C ATOM 0 H PHE A 32 -2.083 -2.809 -2.589 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.257 -4.288 -1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.637 -3.443 -4.143 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.064 -4.336 -3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.268 -1.074 -3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.000 -3.214 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.465 1.053 -2.636 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.198 -1.081 -2.487 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.934 1.054 -2.342 1.00 0.00 H new ATOM 478 N TRP A 33 -3.258 -6.551 -1.548 1.00 0.00 N ATOM 479 CA TRP A 33 -2.536 -7.828 -1.471 1.00 0.00 C ATOM 480 C TRP A 33 -3.404 -8.989 -0.952 1.00 0.00 C ATOM 481 O TRP A 33 -4.504 -8.773 -0.438 1.00 0.00 O ATOM 482 CB TRP A 33 -1.323 -7.637 -0.539 1.00 0.00 C ATOM 483 CG TRP A 33 -1.587 -7.918 0.912 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.552 -7.330 1.653 1.00 0.00 C ATOM 485 CD2 TRP A 33 -0.988 -8.931 1.779 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.639 -7.949 2.880 1.00 0.00 N ATOM 487 CE2 TRP A 33 -1.678 -8.922 3.028 1.00 0.00 C ATOM 488 CE3 TRP A 33 0.061 -9.866 1.639 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -1.339 -9.782 4.082 1.00 0.00 C ATOM 490 CZ3 TRP A 33 0.405 -10.743 2.685 1.00 0.00 C ATOM 491 CH2 TRP A 33 -0.285 -10.693 3.909 1.00 0.00 C ATOM 0 H TRP A 33 -3.993 -6.462 -0.846 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.231 -8.100 -2.482 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.517 -8.287 -0.879 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.967 -6.611 -0.636 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.163 -6.500 1.331 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.331 -7.715 3.592 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.611 -9.909 0.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.882 -9.744 5.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 1.203 -11.458 2.547 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.004 -11.355 4.715 1.00 0.00 H new ATOM 502 N ALA A 34 -2.870 -10.214 -0.993 1.00 0.00 N ATOM 503 CA ALA A 34 -3.355 -11.333 -0.179 1.00 0.00 C ATOM 504 C ALA A 34 -2.223 -12.275 0.266 1.00 0.00 C ATOM 505 O ALA A 34 -1.216 -12.438 -0.427 1.00 0.00 O ATOM 506 CB ALA A 34 -4.426 -12.108 -0.955 1.00 0.00 C ATOM 0 H ALA A 34 -2.084 -10.458 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.788 -10.915 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.785 -12.939 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.258 -11.444 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.998 -12.493 -1.880 1.00 0.00 H new ATOM 512 N THR A 35 -2.440 -12.959 1.394 1.00 0.00 N ATOM 513 CA THR A 35 -1.556 -14.006 1.949 1.00 0.00 C ATOM 514 C THR A 35 -1.325 -15.175 0.987 1.00 0.00 C ATOM 515 O THR A 35 -0.262 -15.797 1.013 1.00 0.00 O ATOM 516 CB THR A 35 -2.163 -14.593 3.236 1.00 0.00 C ATOM 517 OG1 THR A 35 -3.525 -14.918 3.029 1.00 0.00 O ATOM 518 CG2 THR A 35 -2.100 -13.621 4.412 1.00 0.00 C ATOM 0 H THR A 35 -3.265 -12.798 1.972 1.00 0.00 H new ATOM 0 HA THR A 35 -0.603 -13.512 2.139 1.00 0.00 H new ATOM 0 HB THR A 35 -1.572 -15.477 3.474 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.901 -15.292 3.853 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.542 -14.087 5.293 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.060 -13.367 4.619 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.653 -12.715 4.165 1.00 0.00 H new ATOM 526 N TRP A 36 -2.299 -15.466 0.118 1.00 0.00 N ATOM 527 CA TRP A 36 -2.252 -16.562 -0.856 1.00 0.00 C ATOM 528 C TRP A 36 -1.451 -16.249 -2.133 1.00 0.00 C ATOM 529 O TRP A 36 -1.244 -17.146 -2.955 1.00 0.00 O ATOM 530 CB TRP A 36 -3.684 -17.035 -1.154 1.00 0.00 C ATOM 531 CG TRP A 36 -4.714 -16.014 -1.567 1.00 0.00 C ATOM 532 CD1 TRP A 36 -5.760 -15.623 -0.801 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.877 -15.294 -2.836 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.590 -14.792 -1.519 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.080 -14.523 -2.766 1.00 0.00 C ATOM 536 CE3 TRP A 36 -4.142 -15.210 -4.040 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.533 -13.722 -3.824 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.568 -14.381 -5.097 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.765 -13.649 -4.997 1.00 0.00 C ATOM 0 H TRP A 36 -3.166 -14.931 0.071 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.690 -17.377 -0.400 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.627 -17.784 -1.944 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.058 -17.539 -0.263 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.920 -15.920 0.225 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.474 -14.422 -1.169 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.238 -15.791 -4.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.457 -13.170 -3.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.969 -14.307 -5.993 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.093 -13.032 -5.821 1.00 0.00 H new ATOM 550 N CYS A 37 -0.986 -15.008 -2.320 1.00 0.00 N ATOM 551 CA CYS A 37 -0.275 -14.571 -3.525 1.00 0.00 C ATOM 552 C CYS A 37 1.246 -14.497 -3.280 1.00 0.00 C ATOM 553 O CYS A 37 1.717 -13.686 -2.480 1.00 0.00 O ATOM 554 CB CYS A 37 -0.894 -13.240 -3.966 1.00 0.00 C ATOM 555 SG CYS A 37 -0.173 -12.682 -5.536 1.00 0.00 S ATOM 0 H CYS A 37 -1.096 -14.268 -1.626 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.388 -15.293 -4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.972 -13.354 -4.076 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.730 -12.485 -3.197 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.843 -11.662 -5.983 1.00 0.00 H new ATOM 561 N GLY A 38 2.030 -15.322 -3.985 1.00 0.00 N ATOM 562 CA GLY A 38 3.493 -15.383 -3.831 1.00 0.00 C ATOM 563 C GLY A 38 4.211 -14.057 -4.137 1.00 0.00 C ATOM 564 O GLY A 38 4.999 -13.612 -3.306 1.00 0.00 O ATOM 0 H GLY A 38 1.667 -15.971 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.728 -15.684 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.885 -16.157 -4.490 1.00 0.00 H new ATOM 568 N PRO A 39 3.908 -13.347 -5.241 1.00 0.00 N ATOM 569 CA PRO A 39 4.454 -12.009 -5.492 1.00 0.00 C ATOM 570 C PRO A 39 4.089 -10.965 -4.422 1.00 0.00 C ATOM 571 O PRO A 39 4.908 -10.099 -4.111 1.00 0.00 O ATOM 572 CB PRO A 39 3.929 -11.614 -6.873 1.00 0.00 C ATOM 573 CG PRO A 39 3.730 -12.956 -7.575 1.00 0.00 C ATOM 574 CD PRO A 39 3.265 -13.865 -6.440 1.00 0.00 C ATOM 0 HA PRO A 39 5.543 -12.037 -5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.996 -11.055 -6.803 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.639 -10.983 -7.407 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.988 -12.890 -8.371 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.653 -13.316 -8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.180 -13.847 -6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.552 -14.900 -6.623 1.00 0.00 H new ATOM 582 N CYS A 40 2.905 -11.060 -3.797 1.00 0.00 N ATOM 583 CA CYS A 40 2.558 -10.220 -2.642 1.00 0.00 C ATOM 584 C CYS A 40 3.461 -10.539 -1.439 1.00 0.00 C ATOM 585 O CYS A 40 4.055 -9.638 -0.852 1.00 0.00 O ATOM 586 CB CYS A 40 1.084 -10.398 -2.255 1.00 0.00 C ATOM 587 SG CYS A 40 -0.049 -9.791 -3.533 1.00 0.00 S ATOM 0 H CYS A 40 2.171 -11.712 -4.074 1.00 0.00 H new ATOM 0 HA CYS A 40 2.717 -9.181 -2.931 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.885 -11.454 -2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.891 -9.869 -1.322 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.247 -10.724 -4.416 1.00 0.00 H new ATOM 593 N LYS A 41 3.626 -11.829 -1.125 1.00 0.00 N ATOM 594 CA LYS A 41 4.556 -12.361 -0.113 1.00 0.00 C ATOM 595 C LYS A 41 6.020 -11.953 -0.378 1.00 0.00 C ATOM 596 O LYS A 41 6.760 -11.715 0.574 1.00 0.00 O ATOM 597 CB LYS A 41 4.317 -13.888 -0.061 1.00 0.00 C ATOM 598 CG LYS A 41 5.435 -14.774 0.504 1.00 0.00 C ATOM 599 CD LYS A 41 5.651 -14.620 2.011 1.00 0.00 C ATOM 600 CE LYS A 41 6.769 -15.586 2.414 1.00 0.00 C ATOM 601 NZ LYS A 41 7.031 -15.551 3.876 1.00 0.00 N ATOM 0 H LYS A 41 3.093 -12.566 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 41 4.361 -11.930 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.419 -14.065 0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.103 -14.227 -1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.204 -15.816 0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.366 -14.539 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.923 -13.594 2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.734 -14.846 2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.497 -16.599 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.681 -15.330 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.794 -16.219 4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.315 -14.590 4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.168 -15.820 4.390 1.00 0.00 H new ATOM 615 N MET A 42 6.431 -11.806 -1.641 1.00 0.00 N ATOM 616 CA MET A 42 7.775 -11.345 -2.032 1.00 0.00 C ATOM 617 C MET A 42 7.993 -9.843 -1.786 1.00 0.00 C ATOM 618 O MET A 42 9.057 -9.467 -1.290 1.00 0.00 O ATOM 619 CB MET A 42 8.046 -11.677 -3.508 1.00 0.00 C ATOM 620 CG MET A 42 8.231 -13.178 -3.752 1.00 0.00 C ATOM 621 SD MET A 42 8.215 -13.631 -5.508 1.00 0.00 S ATOM 622 CE MET A 42 8.273 -15.436 -5.348 1.00 0.00 C ATOM 0 H MET A 42 5.829 -12.007 -2.440 1.00 0.00 H new ATOM 0 HA MET A 42 8.481 -11.878 -1.396 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.217 -11.314 -4.116 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.940 -11.147 -3.837 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.176 -13.496 -3.311 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.439 -13.722 -3.237 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.270 -15.889 -6.339 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.181 -15.725 -4.819 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.403 -15.780 -4.789 1.00 0.00 H new ATOM 632 N VAL A 43 7.015 -8.977 -2.095 1.00 0.00 N ATOM 633 CA VAL A 43 7.148 -7.516 -1.872 1.00 0.00 C ATOM 634 C VAL A 43 6.802 -7.071 -0.445 1.00 0.00 C ATOM 635 O VAL A 43 7.316 -6.050 0.009 1.00 0.00 O ATOM 636 CB VAL A 43 6.380 -6.724 -2.947 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.862 -6.739 -2.756 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.863 -5.272 -3.058 1.00 0.00 C ATOM 0 H VAL A 43 6.121 -9.256 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 43 8.207 -7.281 -1.979 1.00 0.00 H new ATOM 0 HB VAL A 43 6.602 -7.248 -3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.390 -6.161 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.501 -7.767 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.612 -6.300 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.291 -4.756 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.721 -4.767 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.921 -5.259 -3.322 1.00 0.00 H new ATOM 648 N ALA A 44 6.003 -7.848 0.297 1.00 0.00 N ATOM 649 CA ALA A 44 5.622 -7.580 1.688 1.00 0.00 C ATOM 650 C ALA A 44 6.794 -7.194 2.623 1.00 0.00 C ATOM 651 O ALA A 44 6.691 -6.144 3.260 1.00 0.00 O ATOM 652 CB ALA A 44 4.826 -8.778 2.228 1.00 0.00 C ATOM 0 H ALA A 44 5.591 -8.708 -0.066 1.00 0.00 H new ATOM 0 HA ALA A 44 4.997 -6.687 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.538 -8.587 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.931 -8.922 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.443 -9.675 2.182 1.00 0.00 H new ATOM 658 N PRO A 45 7.923 -7.933 2.700 1.00 0.00 N ATOM 659 CA PRO A 45 9.059 -7.525 3.531 1.00 0.00 C ATOM 660 C PRO A 45 9.726 -6.228 3.046 1.00 0.00 C ATOM 661 O PRO A 45 10.227 -5.461 3.866 1.00 0.00 O ATOM 662 CB PRO A 45 10.035 -8.708 3.507 1.00 0.00 C ATOM 663 CG PRO A 45 9.710 -9.417 2.194 1.00 0.00 C ATOM 664 CD PRO A 45 8.201 -9.226 2.088 1.00 0.00 C ATOM 0 HA PRO A 45 8.727 -7.293 4.543 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.072 -8.373 3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.889 -9.365 4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.237 -8.972 1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.986 -10.471 2.222 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.876 -9.245 1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.668 -10.025 2.603 1.00 0.00 H new ATOM 672 N VAL A 46 9.703 -5.932 1.741 1.00 0.00 N ATOM 673 CA VAL A 46 10.318 -4.716 1.177 1.00 0.00 C ATOM 674 C VAL A 46 9.483 -3.475 1.515 1.00 0.00 C ATOM 675 O VAL A 46 10.022 -2.467 1.981 1.00 0.00 O ATOM 676 CB VAL A 46 10.550 -4.843 -0.344 1.00 0.00 C ATOM 677 CG1 VAL A 46 11.413 -3.695 -0.847 1.00 0.00 C ATOM 678 CG2 VAL A 46 11.259 -6.155 -0.712 1.00 0.00 C ATOM 0 H VAL A 46 9.258 -6.527 1.042 1.00 0.00 H new ATOM 0 HA VAL A 46 11.298 -4.598 1.639 1.00 0.00 H new ATOM 0 HB VAL A 46 9.565 -4.823 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.567 -3.799 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.914 -2.748 -0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.377 -3.715 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.401 -6.201 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.229 -6.196 -0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.651 -7.000 -0.390 1.00 0.00 H new ATOM 688 N LEU A 47 8.157 -3.551 1.364 1.00 0.00 N ATOM 689 CA LEU A 47 7.258 -2.463 1.766 1.00 0.00 C ATOM 690 C LEU A 47 7.112 -2.336 3.293 1.00 0.00 C ATOM 691 O LEU A 47 6.860 -1.240 3.782 1.00 0.00 O ATOM 692 CB LEU A 47 5.943 -2.506 0.970 1.00 0.00 C ATOM 693 CG LEU A 47 5.028 -3.714 1.228 1.00 0.00 C ATOM 694 CD1 LEU A 47 4.064 -3.496 2.396 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.196 -3.988 -0.021 1.00 0.00 C ATOM 0 H LEU A 47 7.680 -4.359 0.964 1.00 0.00 H new ATOM 0 HA LEU A 47 7.723 -1.517 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.381 -1.598 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.186 -2.482 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 47 5.678 -4.553 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.445 -4.384 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.633 -3.311 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.426 -2.637 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.545 -4.844 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.589 -3.113 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.858 -4.203 -0.859 1.00 0.00 H new ATOM 707 N GLU A 48 7.345 -3.407 4.062 1.00 0.00 N ATOM 708 CA GLU A 48 7.481 -3.347 5.525 1.00 0.00 C ATOM 709 C GLU A 48 8.805 -2.685 5.967 1.00 0.00 C ATOM 710 O GLU A 48 8.818 -1.907 6.923 1.00 0.00 O ATOM 711 CB GLU A 48 7.324 -4.760 6.108 1.00 0.00 C ATOM 712 CG GLU A 48 7.222 -4.763 7.636 1.00 0.00 C ATOM 713 CD GLU A 48 6.991 -6.193 8.162 1.00 0.00 C ATOM 714 OE1 GLU A 48 7.983 -6.913 8.437 1.00 0.00 O ATOM 715 OE2 GLU A 48 5.816 -6.610 8.306 1.00 0.00 O ATOM 0 H GLU A 48 7.446 -4.349 3.684 1.00 0.00 H new ATOM 0 HA GLU A 48 6.689 -2.711 5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.432 -5.224 5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.174 -5.370 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.136 -4.354 8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.403 -4.117 7.952 1.00 0.00 H new ATOM 722 N GLU A 49 9.911 -2.895 5.247 1.00 0.00 N ATOM 723 CA GLU A 49 11.127 -2.092 5.434 1.00 0.00 C ATOM 724 C GLU A 49 10.869 -0.610 5.123 1.00 0.00 C ATOM 725 O GLU A 49 11.257 0.241 5.916 1.00 0.00 O ATOM 726 CB GLU A 49 12.294 -2.632 4.595 1.00 0.00 C ATOM 727 CG GLU A 49 12.932 -3.877 5.225 1.00 0.00 C ATOM 728 CD GLU A 49 14.084 -4.431 4.362 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.926 -3.630 3.884 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.173 -5.669 4.176 1.00 0.00 O ATOM 0 H GLU A 49 9.991 -3.614 4.528 1.00 0.00 H new ATOM 0 HA GLU A 49 11.409 -2.172 6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.938 -2.875 3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.050 -1.855 4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.308 -3.629 6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.173 -4.648 5.355 1.00 0.00 H new ATOM 737 N ILE A 50 10.136 -0.278 4.051 1.00 0.00 N ATOM 738 CA ILE A 50 9.679 1.106 3.802 1.00 0.00 C ATOM 739 C ILE A 50 8.781 1.621 4.946 1.00 0.00 C ATOM 740 O ILE A 50 8.982 2.742 5.410 1.00 0.00 O ATOM 741 CB ILE A 50 9.029 1.203 2.397 1.00 0.00 C ATOM 742 CG1 ILE A 50 10.034 1.620 1.300 1.00 0.00 C ATOM 743 CG2 ILE A 50 7.838 2.175 2.298 1.00 0.00 C ATOM 744 CD1 ILE A 50 11.350 0.843 1.240 1.00 0.00 C ATOM 0 H ILE A 50 9.844 -0.947 3.338 1.00 0.00 H new ATOM 0 HA ILE A 50 10.539 1.776 3.797 1.00 0.00 H new ATOM 0 HB ILE A 50 8.670 0.186 2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 50 9.540 1.527 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.269 2.676 1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.451 2.174 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.053 1.859 2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.166 3.181 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.966 1.232 0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.882 0.955 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.142 -0.212 1.063 1.00 0.00 H new ATOM 756 N ALA A 51 7.857 0.808 5.471 1.00 0.00 N ATOM 757 CA ALA A 51 6.993 1.173 6.599 1.00 0.00 C ATOM 758 C ALA A 51 7.782 1.520 7.869 1.00 0.00 C ATOM 759 O ALA A 51 7.409 2.415 8.626 1.00 0.00 O ATOM 760 CB ALA A 51 6.056 -0.001 6.903 1.00 0.00 C ATOM 0 H ALA A 51 7.686 -0.134 5.120 1.00 0.00 H new ATOM 0 HA ALA A 51 6.437 2.065 6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.408 0.258 7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.446 -0.217 6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.646 -0.881 7.160 1.00 0.00 H new ATOM 766 N THR A 52 8.869 0.793 8.114 1.00 0.00 N ATOM 767 CA THR A 52 9.724 0.966 9.297 1.00 0.00 C ATOM 768 C THR A 52 10.728 2.109 9.120 1.00 0.00 C ATOM 769 O THR A 52 10.879 2.954 10.000 1.00 0.00 O ATOM 770 CB THR A 52 10.460 -0.347 9.625 1.00 0.00 C ATOM 771 OG1 THR A 52 9.568 -1.443 9.593 1.00 0.00 O ATOM 772 CG2 THR A 52 11.083 -0.336 11.019 1.00 0.00 C ATOM 0 H THR A 52 9.190 0.054 7.489 1.00 0.00 H new ATOM 0 HA THR A 52 9.074 1.230 10.131 1.00 0.00 H new ATOM 0 HB THR A 52 11.241 -0.441 8.870 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.321 -1.636 8.665 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.589 -1.285 11.199 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.804 0.479 11.089 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.302 -0.194 11.766 1.00 0.00 H new ATOM 780 N GLU A 53 11.418 2.158 7.978 1.00 0.00 N ATOM 781 CA GLU A 53 12.531 3.082 7.721 1.00 0.00 C ATOM 782 C GLU A 53 12.100 4.457 7.199 1.00 0.00 C ATOM 783 O GLU A 53 12.834 5.432 7.373 1.00 0.00 O ATOM 784 CB GLU A 53 13.535 2.439 6.752 1.00 0.00 C ATOM 785 CG GLU A 53 14.153 1.151 7.317 1.00 0.00 C ATOM 786 CD GLU A 53 15.416 0.754 6.534 1.00 0.00 C ATOM 787 OE1 GLU A 53 15.304 0.385 5.340 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.532 0.806 7.107 1.00 0.00 O ATOM 0 H GLU A 53 11.216 1.545 7.188 1.00 0.00 H new ATOM 0 HA GLU A 53 12.999 3.265 8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.034 2.215 5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.329 3.152 6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.403 1.294 8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.423 0.343 7.270 1.00 0.00 H new ATOM 795 N ARG A 54 10.935 4.571 6.544 1.00 0.00 N ATOM 796 CA ARG A 54 10.358 5.840 6.042 1.00 0.00 C ATOM 797 C ARG A 54 9.192 6.337 6.908 1.00 0.00 C ATOM 798 O ARG A 54 8.444 7.210 6.476 1.00 0.00 O ATOM 799 CB ARG A 54 9.973 5.729 4.547 1.00 0.00 C ATOM 800 CG ARG A 54 11.029 5.139 3.586 1.00 0.00 C ATOM 801 CD ARG A 54 12.268 6.017 3.344 1.00 0.00 C ATOM 802 NE ARG A 54 13.095 6.156 4.555 1.00 0.00 N ATOM 803 CZ ARG A 54 14.254 6.767 4.694 1.00 0.00 C ATOM 804 NH1 ARG A 54 14.878 7.343 3.712 1.00 0.00 N ATOM 805 NH2 ARG A 54 14.808 6.808 5.866 1.00 0.00 N ATOM 0 H ARG A 54 10.347 3.763 6.340 1.00 0.00 H new ATOM 0 HA ARG A 54 11.136 6.600 6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.073 5.119 4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.712 6.726 4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.358 4.178 3.981 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.552 4.942 2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.868 5.584 2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.952 7.004 3.006 1.00 0.00 H new ATOM 0 HE ARG A 54 12.721 5.721 5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.472 7.337 2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.774 7.802 3.876 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.347 6.371 6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.705 7.277 5.990 1.00 0.00 H new ATOM 819 N ALA A 55 9.057 5.823 8.135 1.00 0.00 N ATOM 820 CA ALA A 55 7.978 6.131 9.083 1.00 0.00 C ATOM 821 C ALA A 55 7.773 7.639 9.355 1.00 0.00 C ATOM 822 O ALA A 55 6.660 8.072 9.663 1.00 0.00 O ATOM 823 CB ALA A 55 8.291 5.396 10.392 1.00 0.00 C ATOM 0 H ALA A 55 9.726 5.151 8.512 1.00 0.00 H new ATOM 0 HA ALA A 55 7.041 5.798 8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.508 5.603 11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.338 4.323 10.205 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.249 5.739 10.782 1.00 0.00 H new ATOM 829 N THR A 56 8.828 8.450 9.227 1.00 0.00 N ATOM 830 CA THR A 56 8.802 9.917 9.385 1.00 0.00 C ATOM 831 C THR A 56 8.112 10.660 8.232 1.00 0.00 C ATOM 832 O THR A 56 7.672 11.795 8.421 1.00 0.00 O ATOM 833 CB THR A 56 10.233 10.458 9.538 1.00 0.00 C ATOM 834 OG1 THR A 56 11.057 9.950 8.506 1.00 0.00 O ATOM 835 CG2 THR A 56 10.856 10.042 10.872 1.00 0.00 C ATOM 0 H THR A 56 9.758 8.096 9.003 1.00 0.00 H new ATOM 0 HA THR A 56 8.212 10.104 10.282 1.00 0.00 H new ATOM 0 HB THR A 56 10.168 11.545 9.490 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.966 10.301 8.610 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.867 10.444 10.942 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.253 10.431 11.692 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.893 8.954 10.933 1.00 0.00 H new ATOM 843 N ASP A 57 7.976 10.036 7.056 1.00 0.00 N ATOM 844 CA ASP A 57 7.329 10.609 5.863 1.00 0.00 C ATOM 845 C ASP A 57 6.056 9.849 5.451 1.00 0.00 C ATOM 846 O ASP A 57 5.048 10.465 5.106 1.00 0.00 O ATOM 847 CB ASP A 57 8.335 10.617 4.705 1.00 0.00 C ATOM 848 CG ASP A 57 7.800 11.446 3.527 1.00 0.00 C ATOM 849 OD1 ASP A 57 7.926 12.694 3.568 1.00 0.00 O ATOM 850 OD2 ASP A 57 7.255 10.851 2.570 1.00 0.00 O ATOM 0 H ASP A 57 8.323 9.089 6.900 1.00 0.00 H new ATOM 0 HA ASP A 57 7.019 11.625 6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.285 11.030 5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.530 9.595 4.379 1.00 0.00 H new ATOM 855 N LEU A 58 6.085 8.517 5.553 1.00 0.00 N ATOM 856 CA LEU A 58 5.033 7.590 5.135 1.00 0.00 C ATOM 857 C LEU A 58 4.412 6.873 6.340 1.00 0.00 C ATOM 858 O LEU A 58 5.097 6.544 7.309 1.00 0.00 O ATOM 859 CB LEU A 58 5.625 6.540 4.168 1.00 0.00 C ATOM 860 CG LEU A 58 6.100 7.060 2.802 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.800 5.937 2.035 1.00 0.00 C ATOM 862 CD2 LEU A 58 4.935 7.554 1.948 1.00 0.00 C ATOM 0 H LEU A 58 6.888 8.031 5.952 1.00 0.00 H new ATOM 0 HA LEU A 58 4.253 8.165 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.468 6.058 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.873 5.770 3.998 1.00 0.00 H new ATOM 0 HG LEU A 58 6.781 7.890 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.135 6.311 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.660 5.587 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.105 5.111 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.312 7.913 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.236 6.735 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.424 8.366 2.465 1.00 0.00 H new ATOM 874 N THR A 59 3.125 6.555 6.238 1.00 0.00 N ATOM 875 CA THR A 59 2.510 5.422 6.950 1.00 0.00 C ATOM 876 C THR A 59 2.103 4.384 5.908 1.00 0.00 C ATOM 877 O THR A 59 1.539 4.742 4.873 1.00 0.00 O ATOM 878 CB THR A 59 1.314 5.863 7.807 1.00 0.00 C ATOM 879 OG1 THR A 59 1.753 6.798 8.774 1.00 0.00 O ATOM 880 CG2 THR A 59 0.678 4.708 8.582 1.00 0.00 C ATOM 0 H THR A 59 2.468 7.076 5.656 1.00 0.00 H new ATOM 0 HA THR A 59 3.229 4.991 7.647 1.00 0.00 H new ATOM 0 HB THR A 59 0.580 6.279 7.117 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.253 6.332 9.476 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.161 5.082 9.169 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.323 3.952 7.882 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.418 4.266 9.249 1.00 0.00 H new ATOM 888 N VAL A 60 2.397 3.107 6.144 1.00 0.00 N ATOM 889 CA VAL A 60 2.074 2.011 5.220 1.00 0.00 C ATOM 890 C VAL A 60 0.803 1.292 5.681 1.00 0.00 C ATOM 891 O VAL A 60 0.608 1.043 6.869 1.00 0.00 O ATOM 892 CB VAL A 60 3.276 1.066 5.040 1.00 0.00 C ATOM 893 CG1 VAL A 60 2.933 -0.234 4.299 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.371 1.773 4.231 1.00 0.00 C ATOM 0 H VAL A 60 2.872 2.796 6.991 1.00 0.00 H new ATOM 0 HA VAL A 60 1.867 2.421 4.232 1.00 0.00 H new ATOM 0 HB VAL A 60 3.604 0.809 6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.828 -0.849 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.172 -0.780 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.555 0.003 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.221 1.102 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.979 2.050 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.692 2.670 4.760 1.00 0.00 H new ATOM 904 N ALA A 61 -0.073 0.951 4.742 1.00 0.00 N ATOM 905 CA ALA A 61 -1.361 0.313 4.983 1.00 0.00 C ATOM 906 C ALA A 61 -1.541 -0.959 4.137 1.00 0.00 C ATOM 907 O ALA A 61 -0.942 -1.104 3.071 1.00 0.00 O ATOM 908 CB ALA A 61 -2.459 1.346 4.716 1.00 0.00 C ATOM 0 H ALA A 61 0.103 1.119 3.751 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.419 -0.020 6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.435 0.893 4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.329 2.196 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.395 1.686 3.682 1.00 0.00 H new ATOM 914 N LYS A 62 -2.402 -1.867 4.601 1.00 0.00 N ATOM 915 CA LYS A 62 -2.755 -3.136 3.950 1.00 0.00 C ATOM 916 C LYS A 62 -4.253 -3.191 3.647 1.00 0.00 C ATOM 917 O LYS A 62 -5.058 -3.077 4.573 1.00 0.00 O ATOM 918 CB LYS A 62 -2.355 -4.296 4.881 1.00 0.00 C ATOM 919 CG LYS A 62 -0.843 -4.555 4.978 1.00 0.00 C ATOM 920 CD LYS A 62 -0.314 -5.240 3.713 1.00 0.00 C ATOM 921 CE LYS A 62 1.113 -5.757 3.898 1.00 0.00 C ATOM 922 NZ LYS A 62 1.491 -6.646 2.771 1.00 0.00 N ATOM 0 H LYS A 62 -2.897 -1.734 5.483 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.221 -3.219 3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.739 -4.090 5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.843 -5.206 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.319 -3.611 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.634 -5.179 5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.969 -6.070 3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.340 -4.536 2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.806 -4.918 3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.191 -6.300 4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.422 -7.070 2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.782 -7.400 2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.535 -6.092 1.892 1.00 0.00 H new ATOM 936 N LEU A 63 -4.618 -3.415 2.384 1.00 0.00 N ATOM 937 CA LEU A 63 -5.975 -3.792 1.970 1.00 0.00 C ATOM 938 C LEU A 63 -5.952 -5.252 1.513 1.00 0.00 C ATOM 939 O LEU A 63 -5.320 -5.609 0.517 1.00 0.00 O ATOM 940 CB LEU A 63 -6.501 -2.801 0.907 1.00 0.00 C ATOM 941 CG LEU A 63 -7.972 -2.953 0.445 1.00 0.00 C ATOM 942 CD1 LEU A 63 -8.232 -4.235 -0.349 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.962 -2.892 1.610 1.00 0.00 C ATOM 0 H LEU A 63 -3.967 -3.339 1.602 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.680 -3.726 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.375 -1.792 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.863 -2.883 0.027 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.134 -2.100 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.282 -4.276 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.607 -4.243 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.993 -5.100 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.978 -3.004 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.747 -3.697 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.868 -1.932 2.118 1.00 0.00 H new ATOM 955 N ASP A 64 -6.654 -6.092 2.267 1.00 0.00 N ATOM 956 CA ASP A 64 -6.707 -7.536 2.064 1.00 0.00 C ATOM 957 C ASP A 64 -7.740 -7.867 0.969 1.00 0.00 C ATOM 958 O ASP A 64 -8.948 -7.846 1.220 1.00 0.00 O ATOM 959 CB ASP A 64 -7.073 -8.208 3.402 1.00 0.00 C ATOM 960 CG ASP A 64 -6.051 -8.075 4.548 1.00 0.00 C ATOM 961 OD1 ASP A 64 -4.937 -7.531 4.369 1.00 0.00 O ATOM 962 OD2 ASP A 64 -6.352 -8.538 5.673 1.00 0.00 O ATOM 0 H ASP A 64 -7.217 -5.779 3.058 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.739 -7.913 1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.022 -7.793 3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.238 -9.269 3.215 1.00 0.00 H new ATOM 967 N VAL A 65 -7.301 -8.191 -0.255 1.00 0.00 N ATOM 968 CA VAL A 65 -8.225 -8.463 -1.383 1.00 0.00 C ATOM 969 C VAL A 65 -9.057 -9.734 -1.183 1.00 0.00 C ATOM 970 O VAL A 65 -10.093 -9.910 -1.823 1.00 0.00 O ATOM 971 CB VAL A 65 -7.531 -8.490 -2.762 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.707 -7.217 -2.991 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.645 -9.708 -3.040 1.00 0.00 C ATOM 0 H VAL A 65 -6.314 -8.273 -0.497 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.905 -7.611 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.363 -8.555 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.230 -7.264 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.362 -6.347 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.943 -7.134 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.209 -9.621 -4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.848 -9.755 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.246 -10.615 -2.985 1.00 0.00 H new ATOM 983 N ASP A 66 -8.629 -10.605 -0.267 1.00 0.00 N ATOM 984 CA ASP A 66 -9.339 -11.824 0.124 1.00 0.00 C ATOM 985 C ASP A 66 -10.609 -11.545 0.955 1.00 0.00 C ATOM 986 O ASP A 66 -11.526 -12.370 0.961 1.00 0.00 O ATOM 987 CB ASP A 66 -8.363 -12.718 0.898 1.00 0.00 C ATOM 988 CG ASP A 66 -8.912 -14.144 1.048 1.00 0.00 C ATOM 989 OD1 ASP A 66 -9.055 -14.828 0.007 1.00 0.00 O ATOM 990 OD2 ASP A 66 -9.163 -14.590 2.193 1.00 0.00 O ATOM 0 H ASP A 66 -7.752 -10.477 0.238 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.687 -12.325 -0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.405 -12.748 0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.179 -12.291 1.884 1.00 0.00 H new ATOM 995 N THR A 67 -10.687 -10.388 1.628 1.00 0.00 N ATOM 996 CA THR A 67 -11.844 -9.981 2.453 1.00 0.00 C ATOM 997 C THR A 67 -12.531 -8.700 1.972 1.00 0.00 C ATOM 998 O THR A 67 -13.734 -8.557 2.199 1.00 0.00 O ATOM 999 CB THR A 67 -11.471 -9.835 3.936 1.00 0.00 C ATOM 1000 OG1 THR A 67 -10.460 -8.866 4.100 1.00 0.00 O ATOM 1001 CG2 THR A 67 -10.967 -11.146 4.546 1.00 0.00 C ATOM 0 H THR A 67 -9.939 -9.695 1.617 1.00 0.00 H new ATOM 0 HA THR A 67 -12.560 -10.795 2.337 1.00 0.00 H new ATOM 0 HB THR A 67 -12.385 -9.535 4.449 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.236 -8.785 5.051 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.717 -10.987 5.595 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.745 -11.906 4.469 1.00 0.00 H new ATOM 0 HG23 THR A 67 -10.079 -11.480 4.008 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.834 -7.806 1.253 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.437 -6.676 0.540 1.00 0.00 C ATOM 1011 C ASN A 68 -11.978 -6.559 -0.930 1.00 0.00 C ATOM 1012 O ASN A 68 -11.156 -5.697 -1.260 1.00 0.00 O ATOM 1013 CB ASN A 68 -12.247 -5.365 1.326 1.00 0.00 C ATOM 1014 CG ASN A 68 -13.224 -5.224 2.477 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -12.845 -4.999 3.616 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -14.511 -5.277 2.215 1.00 0.00 N ATOM 0 H ASN A 68 -10.820 -7.851 1.151 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.507 -6.877 0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.229 -5.323 1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.366 -4.520 0.648 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.190 -5.130 2.962 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.831 -5.465 1.265 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.542 -7.359 -1.855 1.00 0.00 N ATOM 1024 CA PRO A 69 -12.382 -7.124 -3.292 1.00 0.00 C ATOM 1025 C PRO A 69 -13.073 -5.830 -3.770 1.00 0.00 C ATOM 1026 O PRO A 69 -12.747 -5.333 -4.850 1.00 0.00 O ATOM 1027 CB PRO A 69 -12.971 -8.369 -3.961 1.00 0.00 C ATOM 1028 CG PRO A 69 -14.043 -8.829 -2.974 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.422 -8.497 -1.619 1.00 0.00 C ATOM 0 HA PRO A 69 -11.334 -6.974 -3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.397 -8.137 -4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.214 -9.137 -4.118 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.985 -8.303 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.253 -9.894 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.191 -8.252 -0.886 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.865 -9.347 -1.225 1.00 0.00 H new ATOM 1037 N GLU A 70 -13.990 -5.239 -2.988 1.00 0.00 N ATOM 1038 CA GLU A 70 -14.696 -4.004 -3.362 1.00 0.00 C ATOM 1039 C GLU A 70 -13.730 -2.816 -3.469 1.00 0.00 C ATOM 1040 O GLU A 70 -13.788 -2.049 -4.429 1.00 0.00 O ATOM 1041 CB GLU A 70 -15.806 -3.654 -2.352 1.00 0.00 C ATOM 1042 CG GLU A 70 -16.853 -4.755 -2.111 1.00 0.00 C ATOM 1043 CD GLU A 70 -16.397 -5.874 -1.150 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -15.347 -5.726 -0.478 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -17.095 -6.913 -1.067 1.00 0.00 O ATOM 0 H GLU A 70 -14.263 -5.605 -2.076 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.147 -4.191 -4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.340 -3.405 -1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.320 -2.758 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.758 -4.297 -1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.118 -5.202 -3.069 1.00 0.00 H new ATOM 1052 N THR A 71 -12.792 -2.698 -2.525 1.00 0.00 N ATOM 1053 CA THR A 71 -11.795 -1.615 -2.486 1.00 0.00 C ATOM 1054 C THR A 71 -10.758 -1.769 -3.601 1.00 0.00 C ATOM 1055 O THR A 71 -10.365 -0.780 -4.220 1.00 0.00 O ATOM 1056 CB THR A 71 -11.114 -1.543 -1.115 1.00 0.00 C ATOM 1057 OG1 THR A 71 -12.021 -1.862 -0.086 1.00 0.00 O ATOM 1058 CG2 THR A 71 -10.580 -0.151 -0.800 1.00 0.00 C ATOM 0 H THR A 71 -12.699 -3.359 -1.754 1.00 0.00 H new ATOM 0 HA THR A 71 -12.324 -0.677 -2.652 1.00 0.00 H new ATOM 0 HB THR A 71 -10.291 -2.256 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.878 -1.419 -0.257 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.108 -0.156 0.182 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.847 0.137 -1.554 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.403 0.564 -0.803 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.379 -3.010 -3.928 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.532 -3.320 -5.082 1.00 0.00 C ATOM 1068 C ALA A 72 -10.183 -2.901 -6.409 1.00 0.00 C ATOM 1069 O ALA A 72 -9.513 -2.341 -7.280 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.182 -4.812 -5.044 1.00 0.00 C ATOM 0 H ALA A 72 -10.655 -3.834 -3.393 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.612 -2.739 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.551 -5.060 -5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.648 -5.037 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.098 -5.402 -5.087 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.502 -3.095 -6.547 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.263 -2.647 -7.721 1.00 0.00 C ATOM 1078 C ARG A 73 -12.458 -1.127 -7.755 1.00 0.00 C ATOM 1079 O ARG A 73 -12.303 -0.523 -8.815 1.00 0.00 O ATOM 1080 CB ARG A 73 -13.589 -3.427 -7.777 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.360 -3.182 -9.082 1.00 0.00 C ATOM 1082 CD ARG A 73 -15.628 -4.044 -9.132 1.00 0.00 C ATOM 1083 NE ARG A 73 -16.386 -3.811 -10.376 1.00 0.00 N ATOM 1084 CZ ARG A 73 -17.527 -4.381 -10.723 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -18.127 -5.255 -9.962 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -18.096 -4.081 -11.855 1.00 0.00 N ATOM 0 H ARG A 73 -12.072 -3.568 -5.846 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.690 -2.866 -8.622 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.385 -4.493 -7.674 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.213 -3.139 -6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.627 -2.128 -9.160 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.723 -3.413 -9.936 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.357 -5.097 -9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.258 -3.818 -8.272 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.989 -3.142 -11.036 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.716 -5.519 -9.066 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.007 -5.674 -10.263 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.661 -3.402 -12.480 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.976 -4.525 -12.117 1.00 0.00 H new ATOM 1100 N ASN A 74 -12.731 -0.497 -6.611 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.049 0.934 -6.509 1.00 0.00 C ATOM 1102 C ASN A 74 -11.906 1.862 -6.978 1.00 0.00 C ATOM 1103 O ASN A 74 -12.176 2.897 -7.590 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.461 1.235 -5.058 1.00 0.00 C ATOM 1105 CG ASN A 74 -13.974 2.656 -4.888 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -13.283 3.544 -4.411 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -15.200 2.923 -5.283 1.00 0.00 N ATOM 0 H ASN A 74 -12.738 -0.974 -5.710 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.872 1.146 -7.191 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.235 0.532 -4.749 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.606 1.078 -4.400 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.571 3.869 -5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.780 2.184 -5.682 1.00 0.00 H new ATOM 1114 N PHE A 75 -10.643 1.477 -6.749 1.00 0.00 N ATOM 1115 CA PHE A 75 -9.457 2.214 -7.222 1.00 0.00 C ATOM 1116 C PHE A 75 -8.868 1.668 -8.540 1.00 0.00 C ATOM 1117 O PHE A 75 -7.863 2.187 -9.025 1.00 0.00 O ATOM 1118 CB PHE A 75 -8.417 2.287 -6.089 1.00 0.00 C ATOM 1119 CG PHE A 75 -8.855 3.132 -4.907 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -8.840 4.538 -5.004 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -9.289 2.521 -3.716 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -9.268 5.326 -3.920 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -9.720 3.308 -2.634 1.00 0.00 C ATOM 1124 CZ PHE A 75 -9.712 4.710 -2.737 1.00 0.00 C ATOM 0 H PHE A 75 -10.410 0.634 -6.223 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.774 3.225 -7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.201 1.277 -5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.487 2.692 -6.488 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.499 5.012 -5.913 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.291 1.444 -3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.255 6.403 -3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.057 2.835 -1.723 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.047 5.314 -1.907 1.00 0.00 H new ATOM 1134 N GLN A 76 -9.481 0.631 -9.130 1.00 0.00 N ATOM 1135 CA GLN A 76 -8.967 -0.138 -10.274 1.00 0.00 C ATOM 1136 C GLN A 76 -7.529 -0.653 -10.044 1.00 0.00 C ATOM 1137 O GLN A 76 -6.592 -0.388 -10.802 1.00 0.00 O ATOM 1138 CB GLN A 76 -9.193 0.627 -11.590 1.00 0.00 C ATOM 1139 CG GLN A 76 -9.050 -0.289 -12.817 1.00 0.00 C ATOM 1140 CD GLN A 76 -9.427 0.429 -14.112 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -10.492 0.228 -14.683 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -8.581 1.298 -14.628 1.00 0.00 N ATOM 0 H GLN A 76 -10.387 0.291 -8.809 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.548 -1.055 -10.369 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.187 1.074 -11.584 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.476 1.445 -11.662 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.022 -0.646 -12.886 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.684 -1.166 -12.691 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.690 1.478 -14.166 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.818 1.791 -15.489 1.00 0.00 H new ATOM 1151 N VAL A 77 -7.368 -1.401 -8.951 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.125 -2.022 -8.479 1.00 0.00 C ATOM 1153 C VAL A 77 -6.330 -3.521 -8.199 1.00 0.00 C ATOM 1154 O VAL A 77 -5.799 -4.085 -7.243 1.00 0.00 O ATOM 1155 CB VAL A 77 -5.564 -1.249 -7.274 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.171 0.182 -7.649 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -6.512 -1.182 -6.077 1.00 0.00 C ATOM 0 H VAL A 77 -8.152 -1.603 -8.331 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.373 -1.963 -9.266 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.686 -1.823 -6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.779 0.694 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.406 0.158 -8.425 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.047 0.715 -8.019 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.041 -0.620 -5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.437 -0.686 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.736 -2.192 -5.733 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.148 -4.169 -9.036 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.530 -5.589 -8.905 1.00 0.00 C ATOM 1169 C VAL A 78 -6.389 -6.564 -9.241 1.00 0.00 C ATOM 1170 O VAL A 78 -6.395 -7.702 -8.766 1.00 0.00 O ATOM 1171 CB VAL A 78 -8.782 -5.914 -9.745 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -10.008 -5.156 -9.226 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -8.615 -5.602 -11.239 1.00 0.00 C ATOM 0 H VAL A 78 -7.575 -3.715 -9.843 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.764 -5.734 -7.850 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.924 -6.989 -9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.875 -5.405 -9.837 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.200 -5.440 -8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.822 -4.083 -9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.534 -5.855 -11.768 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.403 -4.541 -11.368 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.790 -6.189 -11.643 1.00 0.00 H new ATOM 1183 N SER A 79 -5.391 -6.125 -10.016 1.00 0.00 N ATOM 1184 CA SER A 79 -4.111 -6.829 -10.201 1.00 0.00 C ATOM 1185 C SER A 79 -3.267 -6.755 -8.922 1.00 0.00 C ATOM 1186 O SER A 79 -3.303 -5.745 -8.216 1.00 0.00 O ATOM 1187 CB SER A 79 -3.321 -6.227 -11.369 1.00 0.00 C ATOM 1188 OG SER A 79 -4.075 -6.306 -12.571 1.00 0.00 O ATOM 0 H SER A 79 -5.449 -5.254 -10.544 1.00 0.00 H new ATOM 0 HA SER A 79 -4.334 -7.872 -10.425 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.077 -5.187 -11.153 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.377 -6.758 -11.489 1.00 0.00 H new ATOM 0 HG SER A 79 -3.559 -5.916 -13.307 1.00 0.00 H new ATOM 1194 N ILE A 80 -2.496 -7.802 -8.610 1.00 0.00 N ATOM 1195 CA ILE A 80 -1.823 -7.946 -7.306 1.00 0.00 C ATOM 1196 C ILE A 80 -0.366 -8.449 -7.407 1.00 0.00 C ATOM 1197 O ILE A 80 -0.071 -9.281 -8.271 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.651 -8.840 -6.347 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -3.079 -10.167 -7.009 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -3.859 -8.059 -5.802 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.725 -11.149 -6.034 1.00 0.00 C ATOM 0 H ILE A 80 -2.318 -8.575 -9.251 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.764 -6.940 -6.892 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.011 -9.112 -5.508 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.780 -9.953 -7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.206 -10.637 -7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.432 -8.698 -5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.510 -7.181 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.492 -7.744 -6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.002 -12.060 -6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.018 -11.392 -5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.617 -10.697 -5.600 1.00 0.00 H new ATOM 1213 N PRO A 81 0.542 -7.989 -6.518 1.00 0.00 N ATOM 1214 CA PRO A 81 0.368 -6.859 -5.596 1.00 0.00 C ATOM 1215 C PRO A 81 0.224 -5.530 -6.353 1.00 0.00 C ATOM 1216 O PRO A 81 0.822 -5.347 -7.416 1.00 0.00 O ATOM 1217 CB PRO A 81 1.627 -6.831 -4.721 1.00 0.00 C ATOM 1218 CG PRO A 81 2.687 -7.458 -5.625 1.00 0.00 C ATOM 1219 CD PRO A 81 1.897 -8.503 -6.407 1.00 0.00 C ATOM 0 HA PRO A 81 -0.540 -6.981 -5.006 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.894 -5.815 -4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.492 -7.401 -3.802 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.143 -6.720 -6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.493 -7.910 -5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.334 -8.664 -7.392 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.908 -9.464 -5.893 1.00 0.00 H new ATOM 1227 N THR A 82 -0.536 -4.594 -5.786 1.00 0.00 N ATOM 1228 CA THR A 82 -0.571 -3.195 -6.239 1.00 0.00 C ATOM 1229 C THR A 82 -0.428 -2.258 -5.048 1.00 0.00 C ATOM 1230 O THR A 82 -1.220 -2.299 -4.110 1.00 0.00 O ATOM 1231 CB THR A 82 -1.840 -2.855 -7.033 1.00 0.00 C ATOM 1232 OG1 THR A 82 -1.818 -3.513 -8.278 1.00 0.00 O ATOM 1233 CG2 THR A 82 -1.925 -1.360 -7.359 1.00 0.00 C ATOM 0 H THR A 82 -1.151 -4.782 -4.994 1.00 0.00 H new ATOM 0 HA THR A 82 0.270 -3.060 -6.919 1.00 0.00 H new ATOM 0 HB THR A 82 -2.682 -3.162 -6.413 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.170 -4.422 -8.174 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.837 -1.162 -7.921 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.938 -0.786 -6.433 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.061 -1.068 -7.955 1.00 0.00 H new ATOM 1241 N LEU A 83 0.568 -1.382 -5.106 1.00 0.00 N ATOM 1242 CA LEU A 83 0.815 -0.319 -4.145 1.00 0.00 C ATOM 1243 C LEU A 83 0.263 0.996 -4.715 1.00 0.00 C ATOM 1244 O LEU A 83 0.552 1.344 -5.861 1.00 0.00 O ATOM 1245 CB LEU A 83 2.326 -0.220 -3.855 1.00 0.00 C ATOM 1246 CG LEU A 83 2.947 -1.342 -2.993 1.00 0.00 C ATOM 1247 CD1 LEU A 83 2.943 -2.727 -3.650 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.415 -1.000 -2.725 1.00 0.00 C ATOM 0 H LEU A 83 1.256 -1.396 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 83 0.311 -0.531 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.853 -0.193 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.515 0.732 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 83 2.333 -1.393 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.397 -3.452 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.917 -3.025 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.512 -2.691 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.866 -1.784 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.949 -0.922 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.476 -0.050 -2.195 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.488 1.746 -3.909 1.00 0.00 N ATOM 1261 CA ILE A 84 -0.902 3.128 -4.191 1.00 0.00 C ATOM 1262 C ILE A 84 -0.276 4.047 -3.155 1.00 0.00 C ATOM 1263 O ILE A 84 -0.406 3.798 -1.957 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.441 3.288 -4.183 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -3.119 2.539 -5.348 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -2.859 4.774 -4.214 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -2.916 3.217 -6.708 1.00 0.00 C ATOM 0 H ILE A 84 -0.837 1.402 -3.014 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.559 3.392 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.781 2.841 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.726 1.523 -5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.187 2.459 -5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.947 4.846 -4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.456 5.284 -3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.470 5.243 -5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.419 2.637 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.334 4.223 -6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.851 3.273 -6.931 1.00 0.00 H new ATOM 1279 N LEU A 85 0.325 5.150 -3.602 1.00 0.00 N ATOM 1280 CA LEU A 85 0.644 6.272 -2.727 1.00 0.00 C ATOM 1281 C LEU A 85 -0.447 7.343 -2.804 1.00 0.00 C ATOM 1282 O LEU A 85 -0.731 7.857 -3.886 1.00 0.00 O ATOM 1283 CB LEU A 85 2.047 6.814 -3.050 1.00 0.00 C ATOM 1284 CG LEU A 85 2.497 7.957 -2.121 1.00 0.00 C ATOM 1285 CD1 LEU A 85 2.633 7.523 -0.662 1.00 0.00 C ATOM 1286 CD2 LEU A 85 3.855 8.487 -2.575 1.00 0.00 C ATOM 0 H LEU A 85 0.602 5.288 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 85 0.667 5.932 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.767 5.998 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.062 7.168 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 85 1.723 8.722 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.953 8.372 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.671 7.161 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.372 6.726 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.169 9.295 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.590 7.683 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.777 8.862 -3.596 1.00 0.00 H new ATOM 1298 N PHE A 86 -1.003 7.713 -1.651 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.797 8.926 -1.449 1.00 0.00 C ATOM 1300 C PHE A 86 -0.931 9.977 -0.736 1.00 0.00 C ATOM 1301 O PHE A 86 -0.196 9.633 0.192 1.00 0.00 O ATOM 1302 CB PHE A 86 -3.062 8.623 -0.624 1.00 0.00 C ATOM 1303 CG PHE A 86 -4.017 7.579 -1.184 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -3.750 6.207 -1.015 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -5.209 7.973 -1.822 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.648 5.242 -1.507 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -6.104 7.010 -2.321 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.821 5.643 -2.169 1.00 0.00 C ATOM 0 H PHE A 86 -0.910 7.157 -0.801 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.117 9.310 -2.418 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.750 8.299 0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.614 9.554 -0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.851 5.894 -0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.438 9.023 -1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.435 4.191 -1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.009 7.322 -2.821 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.503 4.902 -2.560 1.00 0.00 H new ATOM 1318 N LYS A 87 -1.015 11.256 -1.125 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.185 12.329 -0.524 1.00 0.00 C ATOM 1320 C LYS A 87 -0.931 13.157 0.535 1.00 0.00 C ATOM 1321 O LYS A 87 -0.353 13.544 1.546 1.00 0.00 O ATOM 1322 CB LYS A 87 0.376 13.214 -1.653 1.00 0.00 C ATOM 1323 CG LYS A 87 1.700 13.913 -1.298 1.00 0.00 C ATOM 1324 CD LYS A 87 2.911 12.967 -1.425 1.00 0.00 C ATOM 1325 CE LYS A 87 4.238 13.602 -0.978 1.00 0.00 C ATOM 1326 NZ LYS A 87 4.630 14.767 -1.819 1.00 0.00 N ATOM 0 H LYS A 87 -1.649 11.582 -1.855 1.00 0.00 H new ATOM 0 HA LYS A 87 0.636 11.859 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.527 12.600 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.365 13.971 -1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.842 14.772 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.645 14.295 -0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.727 12.073 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.003 12.646 -2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.151 13.922 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.027 12.850 -1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.531 15.157 -1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.741 14.461 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.893 15.499 -1.764 1.00 0.00 H new ATOM 1340 N ASP A 88 -2.225 13.380 0.306 1.00 0.00 N ATOM 1341 CA ASP A 88 -3.151 14.145 1.160 1.00 0.00 C ATOM 1342 C ASP A 88 -4.589 13.620 0.956 1.00 0.00 C ATOM 1343 O ASP A 88 -5.462 14.316 0.429 1.00 0.00 O ATOM 1344 CB ASP A 88 -2.997 15.643 0.828 1.00 0.00 C ATOM 1345 CG ASP A 88 -3.914 16.564 1.656 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -4.068 16.334 2.878 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -4.438 17.557 1.096 1.00 0.00 O ATOM 0 H ASP A 88 -2.687 13.013 -0.526 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.919 14.017 2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.960 15.937 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.207 15.794 -0.231 1.00 0.00 H new ATOM 1352 N GLY A 89 -4.790 12.320 1.215 1.00 0.00 N ATOM 1353 CA GLY A 89 -6.039 11.590 0.944 1.00 0.00 C ATOM 1354 C GLY A 89 -6.423 11.494 -0.541 1.00 0.00 C ATOM 1355 O GLY A 89 -7.577 11.220 -0.866 1.00 0.00 O ATOM 0 H GLY A 89 -4.069 11.730 1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.948 10.581 1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.852 12.076 1.484 1.00 0.00 H new ATOM 1359 N GLN A 90 -5.471 11.759 -1.440 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.622 11.753 -2.898 1.00 0.00 C ATOM 1361 C GLN A 90 -4.442 11.010 -3.555 1.00 0.00 C ATOM 1362 O GLN A 90 -3.298 11.240 -3.143 1.00 0.00 O ATOM 1363 CB GLN A 90 -5.785 13.197 -3.405 1.00 0.00 C ATOM 1364 CG GLN A 90 -4.593 14.129 -3.115 1.00 0.00 C ATOM 1365 CD GLN A 90 -5.025 15.593 -3.072 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -4.929 16.333 -4.044 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -5.528 16.063 -1.950 1.00 0.00 N ATOM 0 H GLN A 90 -4.521 11.997 -1.154 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.523 11.209 -3.181 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.953 13.171 -4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.680 13.626 -2.953 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.138 13.855 -2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.831 13.996 -3.882 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.612 15.455 -1.135 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.833 17.035 -1.896 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.684 10.102 -4.523 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.651 9.240 -5.097 1.00 0.00 C ATOM 1378 C PRO A 91 -2.693 10.019 -6.010 1.00 0.00 C ATOM 1379 O PRO A 91 -3.111 10.891 -6.776 1.00 0.00 O ATOM 1380 CB PRO A 91 -4.405 8.135 -5.845 1.00 0.00 C ATOM 1381 CG PRO A 91 -5.705 8.820 -6.263 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.984 9.765 -5.095 1.00 0.00 C ATOM 0 HA PRO A 91 -3.008 8.819 -4.324 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.843 7.777 -6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.592 7.272 -5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.592 9.361 -7.202 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.513 8.102 -6.404 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.504 10.661 -5.435 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.624 9.288 -4.353 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.401 9.681 -5.941 1.00 0.00 N ATOM 1391 CA VAL A 92 -0.311 10.332 -6.698 1.00 0.00 C ATOM 1392 C VAL A 92 0.611 9.361 -7.448 1.00 0.00 C ATOM 1393 O VAL A 92 1.218 9.766 -8.441 1.00 0.00 O ATOM 1394 CB VAL A 92 0.526 11.259 -5.793 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -0.293 12.469 -5.328 1.00 0.00 C ATOM 1396 CG2 VAL A 92 1.121 10.556 -4.565 1.00 0.00 C ATOM 0 H VAL A 92 -1.069 8.926 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.819 10.922 -7.461 1.00 0.00 H new ATOM 0 HB VAL A 92 1.358 11.585 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.324 13.103 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.625 13.039 -6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.161 12.126 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.696 11.273 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.316 10.149 -3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.775 9.747 -4.890 1.00 0.00 H new ATOM 1406 N LYS A 93 0.709 8.090 -7.027 1.00 0.00 N ATOM 1407 CA LYS A 93 1.491 7.043 -7.718 1.00 0.00 C ATOM 1408 C LYS A 93 0.858 5.655 -7.550 1.00 0.00 C ATOM 1409 O LYS A 93 0.323 5.352 -6.484 1.00 0.00 O ATOM 1410 CB LYS A 93 2.952 7.081 -7.216 1.00 0.00 C ATOM 1411 CG LYS A 93 3.882 6.136 -8.002 1.00 0.00 C ATOM 1412 CD LYS A 93 5.367 6.262 -7.632 1.00 0.00 C ATOM 1413 CE LYS A 93 5.952 7.622 -8.036 1.00 0.00 C ATOM 1414 NZ LYS A 93 7.432 7.613 -7.969 1.00 0.00 N ATOM 0 H LYS A 93 0.242 7.752 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 93 1.486 7.247 -8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.330 8.100 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.975 6.810 -6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.563 5.107 -7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.767 6.334 -9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.485 6.122 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.930 5.467 -8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.633 7.871 -9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.561 8.398 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.793 8.572 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.735 7.300 -7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.808 6.961 -8.687 1.00 0.00 H new ATOM 1428 N ARG A 94 0.973 4.810 -8.582 1.00 0.00 N ATOM 1429 CA ARG A 94 0.639 3.373 -8.578 1.00 0.00 C ATOM 1430 C ARG A 94 1.851 2.537 -9.005 1.00 0.00 C ATOM 1431 O ARG A 94 2.513 2.871 -9.987 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.581 3.114 -9.485 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.075 1.657 -9.381 1.00 0.00 C ATOM 1434 CD ARG A 94 -2.341 1.380 -10.205 1.00 0.00 C ATOM 1435 NE ARG A 94 -2.086 1.433 -11.659 1.00 0.00 N ATOM 1436 CZ ARG A 94 -2.879 0.988 -12.618 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -4.050 0.466 -12.382 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -2.502 1.062 -13.862 1.00 0.00 N ATOM 0 H ARG A 94 1.318 5.122 -9.490 1.00 0.00 H new ATOM 0 HA ARG A 94 0.376 3.069 -7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.389 3.792 -9.209 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.318 3.335 -10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.281 0.988 -9.713 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.273 1.422 -8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.735 0.398 -9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.108 2.110 -9.946 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.206 1.857 -11.953 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.390 0.387 -11.423 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.627 0.136 -13.156 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.594 1.464 -14.097 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.114 0.718 -14.602 1.00 0.00 H new ATOM 1452 N ILE A 95 2.123 1.449 -8.285 1.00 0.00 N ATOM 1453 CA ILE A 95 3.192 0.477 -8.570 1.00 0.00 C ATOM 1454 C ILE A 95 2.615 -0.934 -8.503 1.00 0.00 C ATOM 1455 O ILE A 95 1.944 -1.280 -7.536 1.00 0.00 O ATOM 1456 CB ILE A 95 4.383 0.650 -7.588 1.00 0.00 C ATOM 1457 CG1 ILE A 95 4.869 2.116 -7.460 1.00 0.00 C ATOM 1458 CG2 ILE A 95 5.545 -0.268 -8.007 1.00 0.00 C ATOM 1459 CD1 ILE A 95 5.938 2.333 -6.380 1.00 0.00 C ATOM 0 H ILE A 95 1.586 1.206 -7.452 1.00 0.00 H new ATOM 0 HA ILE A 95 3.581 0.654 -9.573 1.00 0.00 H new ATOM 0 HB ILE A 95 4.020 0.364 -6.601 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.269 2.440 -8.421 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.012 2.753 -7.240 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.377 -0.141 -7.314 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.213 -1.306 -7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.869 -0.008 -9.014 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.223 3.385 -6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.538 2.043 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.814 1.725 -6.607 1.00 0.00 H new ATOM 1471 N VAL A 96 2.859 -1.747 -9.532 1.00 0.00 N ATOM 1472 CA VAL A 96 2.202 -3.041 -9.725 1.00 0.00 C ATOM 1473 C VAL A 96 3.208 -4.179 -9.932 1.00 0.00 C ATOM 1474 O VAL A 96 4.270 -3.981 -10.531 1.00 0.00 O ATOM 1475 CB VAL A 96 1.182 -2.958 -10.870 1.00 0.00 C ATOM 1476 CG1 VAL A 96 0.173 -1.817 -10.693 1.00 0.00 C ATOM 1477 CG2 VAL A 96 1.803 -2.817 -12.265 1.00 0.00 C ATOM 0 H VAL A 96 3.530 -1.521 -10.267 1.00 0.00 H new ATOM 0 HA VAL A 96 1.663 -3.280 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 96 0.676 -3.921 -10.810 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.521 -1.811 -11.534 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.382 -1.962 -9.766 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.703 -0.865 -10.653 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.011 -2.766 -13.012 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.401 -1.907 -12.307 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.439 -3.678 -12.469 1.00 0.00 H new ATOM 1487 N GLY A 97 2.889 -5.368 -9.418 1.00 0.00 N ATOM 1488 CA GLY A 97 3.798 -6.521 -9.371 1.00 0.00 C ATOM 1489 C GLY A 97 4.916 -6.360 -8.331 1.00 0.00 C ATOM 1490 O GLY A 97 5.175 -5.258 -7.837 1.00 0.00 O ATOM 0 H GLY A 97 1.973 -5.563 -9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.225 -7.420 -9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.243 -6.667 -10.355 1.00 0.00 H new ATOM 1494 N ALA A 98 5.597 -7.455 -7.986 1.00 0.00 N ATOM 1495 CA ALA A 98 6.624 -7.456 -6.938 1.00 0.00 C ATOM 1496 C ALA A 98 7.820 -6.531 -7.251 1.00 0.00 C ATOM 1497 O ALA A 98 8.158 -6.292 -8.416 1.00 0.00 O ATOM 1498 CB ALA A 98 7.069 -8.899 -6.669 1.00 0.00 C ATOM 0 H ALA A 98 5.454 -8.365 -8.423 1.00 0.00 H new ATOM 0 HA ALA A 98 6.179 -7.040 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.832 -8.905 -5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.213 -9.489 -6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.479 -9.330 -7.583 1.00 0.00 H new ATOM 1504 N LYS A 99 8.452 -5.996 -6.197 1.00 0.00 N ATOM 1505 CA LYS A 99 9.629 -5.108 -6.247 1.00 0.00 C ATOM 1506 C LYS A 99 10.688 -5.550 -5.234 1.00 0.00 C ATOM 1507 O LYS A 99 10.342 -6.009 -4.144 1.00 0.00 O ATOM 1508 CB LYS A 99 9.214 -3.642 -5.976 1.00 0.00 C ATOM 1509 CG LYS A 99 8.210 -3.047 -6.974 1.00 0.00 C ATOM 1510 CD LYS A 99 8.819 -2.837 -8.370 1.00 0.00 C ATOM 1511 CE LYS A 99 7.757 -2.665 -9.461 1.00 0.00 C ATOM 1512 NZ LYS A 99 6.954 -3.900 -9.656 1.00 0.00 N ATOM 0 H LYS A 99 8.145 -6.177 -5.241 1.00 0.00 H new ATOM 0 HA LYS A 99 10.059 -5.173 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.785 -3.583 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.111 -3.022 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.347 -3.708 -7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.846 -2.093 -6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.461 -1.957 -8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.453 -3.689 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.095 -1.840 -9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.242 -2.396 -10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.089 -4.253 -10.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.262 -4.625 -8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.948 -3.688 -9.502 1.00 0.00 H new ATOM 1526 N GLY A 100 11.966 -5.363 -5.567 1.00 0.00 N ATOM 1527 CA GLY A 100 13.071 -5.386 -4.607 1.00 0.00 C ATOM 1528 C GLY A 100 13.291 -4.000 -3.999 1.00 0.00 C ATOM 1529 O GLY A 100 12.820 -2.995 -4.539 1.00 0.00 O ATOM 0 H GLY A 100 12.267 -5.189 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.857 -6.105 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.983 -5.719 -5.103 1.00 0.00 H new ATOM 1533 N LYS A 101 14.032 -3.928 -2.887 1.00 0.00 N ATOM 1534 CA LYS A 101 14.322 -2.679 -2.147 1.00 0.00 C ATOM 1535 C LYS A 101 14.865 -1.556 -3.021 1.00 0.00 C ATOM 1536 O LYS A 101 14.500 -0.405 -2.823 1.00 0.00 O ATOM 1537 CB LYS A 101 15.312 -2.998 -1.012 1.00 0.00 C ATOM 1538 CG LYS A 101 15.470 -1.892 0.045 1.00 0.00 C ATOM 1539 CD LYS A 101 14.193 -1.674 0.874 1.00 0.00 C ATOM 1540 CE LYS A 101 14.370 -0.634 1.985 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.382 -1.046 2.990 1.00 0.00 N ATOM 0 H LYS A 101 14.459 -4.751 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 101 13.376 -2.310 -1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.988 -3.912 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 101 16.289 -3.203 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.292 -2.149 0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.741 -0.959 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.387 -1.357 0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.888 -2.622 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.666 0.318 1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.414 -0.471 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.335 -0.410 3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.190 -2.021 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.331 -0.996 2.568 1.00 0.00 H new ATOM 1555 N ALA A 102 15.678 -1.891 -4.014 1.00 0.00 N ATOM 1556 CA ALA A 102 16.272 -0.907 -4.925 1.00 0.00 C ATOM 1557 C ALA A 102 15.244 -0.290 -5.899 1.00 0.00 C ATOM 1558 O ALA A 102 15.305 0.906 -6.198 1.00 0.00 O ATOM 1559 CB ALA A 102 17.440 -1.579 -5.657 1.00 0.00 C ATOM 0 H ALA A 102 15.948 -2.854 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 102 16.640 -0.061 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.899 -0.866 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.181 -1.913 -4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.072 -2.437 -6.220 1.00 0.00 H new ATOM 1565 N ALA A 103 14.276 -1.081 -6.373 1.00 0.00 N ATOM 1566 CA ALA A 103 13.183 -0.617 -7.229 1.00 0.00 C ATOM 1567 C ALA A 103 12.123 0.159 -6.421 1.00 0.00 C ATOM 1568 O ALA A 103 11.742 1.279 -6.781 1.00 0.00 O ATOM 1569 CB ALA A 103 12.592 -1.828 -7.960 1.00 0.00 C ATOM 0 H ALA A 103 14.231 -2.079 -6.168 1.00 0.00 H new ATOM 0 HA ALA A 103 13.564 0.089 -7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.775 -1.501 -8.603 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.365 -2.300 -8.566 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.215 -2.545 -7.231 1.00 0.00 H new ATOM 1575 N LEU A 104 11.694 -0.403 -5.283 1.00 0.00 N ATOM 1576 CA LEU A 104 10.715 0.252 -4.420 1.00 0.00 C ATOM 1577 C LEU A 104 11.286 1.553 -3.835 1.00 0.00 C ATOM 1578 O LEU A 104 10.613 2.582 -3.876 1.00 0.00 O ATOM 1579 CB LEU A 104 10.229 -0.719 -3.325 1.00 0.00 C ATOM 1580 CG LEU A 104 9.042 -0.153 -2.517 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.791 0.048 -3.376 1.00 0.00 C ATOM 1582 CD2 LEU A 104 8.671 -1.084 -1.365 1.00 0.00 C ATOM 0 H LEU A 104 12.013 -1.310 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 104 9.846 0.529 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.934 -1.662 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 104 11.054 -0.939 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 104 9.375 0.814 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.986 0.448 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.012 0.748 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.483 -0.908 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.832 -0.662 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.390 -2.060 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.526 -1.196 -0.698 1.00 0.00 H new ATOM 1594 N LEU A 105 12.539 1.549 -3.360 1.00 0.00 N ATOM 1595 CA LEU A 105 13.166 2.765 -2.847 1.00 0.00 C ATOM 1596 C LEU A 105 13.607 3.730 -3.946 1.00 0.00 C ATOM 1597 O LEU A 105 13.585 4.904 -3.642 1.00 0.00 O ATOM 1598 CB LEU A 105 14.284 2.498 -1.822 1.00 0.00 C ATOM 1599 CG LEU A 105 14.753 3.765 -1.055 1.00 0.00 C ATOM 1600 CD1 LEU A 105 13.642 4.470 -0.269 1.00 0.00 C ATOM 1601 CD2 LEU A 105 15.835 3.363 -0.053 1.00 0.00 C ATOM 0 H LEU A 105 13.132 0.720 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 105 12.372 3.272 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.934 1.759 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 105 15.139 2.061 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 105 15.112 4.461 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 105 14.053 5.344 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.855 4.784 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.228 3.784 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 105 16.172 4.245 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 105 15.428 2.636 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 105 16.677 2.921 -0.585 1.00 0.00 H new ATOM 1613 N ARG A 106 13.915 3.378 -5.208 1.00 0.00 N ATOM 1614 CA ARG A 106 14.025 4.462 -6.219 1.00 0.00 C ATOM 1615 C ARG A 106 12.665 5.137 -6.460 1.00 0.00 C ATOM 1616 O ARG A 106 12.564 6.367 -6.395 1.00 0.00 O ATOM 1617 CB ARG A 106 14.790 4.038 -7.486 1.00 0.00 C ATOM 1618 CG ARG A 106 14.031 3.103 -8.436 1.00 0.00 C ATOM 1619 CD ARG A 106 14.921 2.577 -9.567 1.00 0.00 C ATOM 1620 NE ARG A 106 15.978 1.685 -9.049 1.00 0.00 N ATOM 1621 CZ ARG A 106 16.958 1.139 -9.747 1.00 0.00 C ATOM 1622 NH1 ARG A 106 17.067 1.301 -11.036 1.00 0.00 N ATOM 1623 NH2 ARG A 106 17.861 0.412 -9.157 1.00 0.00 N ATOM 0 H ARG A 106 14.082 2.429 -5.542 1.00 0.00 H new ATOM 0 HA ARG A 106 14.663 5.243 -5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 106 15.071 4.936 -8.036 1.00 0.00 H new ATOM 0 HB3 ARG A 106 15.715 3.547 -7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.630 2.262 -7.871 1.00 0.00 H new ATOM 0 HG3 ARG A 106 13.181 3.635 -8.863 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.311 2.038 -10.292 1.00 0.00 H new ATOM 0 HD3 ARG A 106 15.376 3.416 -10.094 1.00 0.00 H new ATOM 0 HE ARG A 106 15.948 1.469 -8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 106 16.382 1.865 -11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.837 0.864 -11.542 1.00 0.00 H new ATOM 0 HH21 ARG A 106 17.815 0.260 -8.149 1.00 0.00 H new ATOM 0 HH22 ARG A 106 18.615 -0.007 -9.702 1.00 0.00 H new ATOM 1637 N GLU A 107 11.595 4.345 -6.594 1.00 0.00 N ATOM 1638 CA GLU A 107 10.239 4.886 -6.789 1.00 0.00 C ATOM 1639 C GLU A 107 9.678 5.671 -5.587 1.00 0.00 C ATOM 1640 O GLU A 107 8.831 6.544 -5.784 1.00 0.00 O ATOM 1641 CB GLU A 107 9.264 3.777 -7.209 1.00 0.00 C ATOM 1642 CG GLU A 107 9.454 3.348 -8.672 1.00 0.00 C ATOM 1643 CD GLU A 107 9.200 4.474 -9.702 1.00 0.00 C ATOM 1644 OE1 GLU A 107 8.504 5.470 -9.386 1.00 0.00 O ATOM 1645 OE2 GLU A 107 9.706 4.364 -10.845 1.00 0.00 O ATOM 0 H GLU A 107 11.639 3.326 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 107 10.338 5.616 -7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.401 2.912 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.241 4.124 -7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.470 2.976 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.781 2.517 -8.885 1.00 0.00 H new ATOM 1652 N LEU A 108 10.136 5.401 -4.360 1.00 0.00 N ATOM 1653 CA LEU A 108 9.751 6.149 -3.149 1.00 0.00 C ATOM 1654 C LEU A 108 10.812 7.137 -2.655 1.00 0.00 C ATOM 1655 O LEU A 108 10.480 8.079 -1.946 1.00 0.00 O ATOM 1656 CB LEU A 108 9.327 5.162 -2.054 1.00 0.00 C ATOM 1657 CG LEU A 108 8.110 4.317 -2.468 1.00 0.00 C ATOM 1658 CD1 LEU A 108 7.824 3.310 -1.365 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.837 5.136 -2.708 1.00 0.00 C ATOM 0 H LEU A 108 10.795 4.645 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 108 8.904 6.781 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.162 4.502 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.091 5.713 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 108 8.367 3.841 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.963 2.702 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.693 2.667 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.611 3.839 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.024 4.469 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.566 5.664 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.014 5.858 -3.505 1.00 0.00 H new ATOM 1671 N SER A 109 12.065 7.011 -3.083 1.00 0.00 N ATOM 1672 CA SER A 109 13.095 8.053 -2.920 1.00 0.00 C ATOM 1673 C SER A 109 12.825 9.235 -3.867 1.00 0.00 C ATOM 1674 O SER A 109 13.173 10.375 -3.569 1.00 0.00 O ATOM 1675 CB SER A 109 14.524 7.531 -3.100 1.00 0.00 C ATOM 1676 OG SER A 109 15.467 8.536 -2.781 1.00 0.00 O ATOM 0 H SER A 109 12.406 6.176 -3.559 1.00 0.00 H new ATOM 0 HA SER A 109 13.023 8.395 -1.887 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.682 6.661 -2.462 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.670 7.202 -4.129 1.00 0.00 H new ATOM 0 HG SER A 109 15.171 9.021 -1.982 1.00 0.00 H new ATOM 1682 N ASP A 110 12.072 9.002 -4.950 1.00 0.00 N ATOM 1683 CA ASP A 110 11.374 10.061 -5.700 1.00 0.00 C ATOM 1684 C ASP A 110 10.483 10.969 -4.805 1.00 0.00 C ATOM 1685 O ASP A 110 10.192 12.108 -5.174 1.00 0.00 O ATOM 1686 CB ASP A 110 10.543 9.367 -6.788 1.00 0.00 C ATOM 1687 CG ASP A 110 9.906 10.319 -7.812 1.00 0.00 C ATOM 1688 OD1 ASP A 110 10.605 11.208 -8.354 1.00 0.00 O ATOM 1689 OD2 ASP A 110 8.709 10.111 -8.131 1.00 0.00 O ATOM 0 H ASP A 110 11.927 8.069 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 110 12.112 10.737 -6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 110 11.181 8.659 -7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.753 8.788 -6.309 1.00 0.00 H new ATOM 1694 N VAL A 111 10.084 10.493 -3.612 1.00 0.00 N ATOM 1695 CA VAL A 111 9.379 11.235 -2.552 1.00 0.00 C ATOM 1696 C VAL A 111 10.293 11.531 -1.342 1.00 0.00 C ATOM 1697 O VAL A 111 10.188 12.604 -0.745 1.00 0.00 O ATOM 1698 CB VAL A 111 8.114 10.441 -2.151 1.00 0.00 C ATOM 1699 CG1 VAL A 111 7.344 11.110 -1.016 1.00 0.00 C ATOM 1700 CG2 VAL A 111 7.158 10.300 -3.345 1.00 0.00 C ATOM 0 H VAL A 111 10.255 9.523 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 111 9.081 12.211 -2.934 1.00 0.00 H new ATOM 0 HB VAL A 111 8.465 9.464 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.465 10.514 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.985 11.188 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.031 12.107 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 111 6.275 9.738 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.857 11.290 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.662 9.772 -4.154 1.00 0.00 H new ATOM 1710 N VAL A 112 11.228 10.628 -1.008 1.00 0.00 N ATOM 1711 CA VAL A 112 12.234 10.737 0.074 1.00 0.00 C ATOM 1712 C VAL A 112 13.658 10.775 -0.512 1.00 0.00 C ATOM 1713 O VAL A 112 14.386 9.778 -0.449 1.00 0.00 O ATOM 1714 CB VAL A 112 12.047 9.620 1.134 1.00 0.00 C ATOM 1715 CG1 VAL A 112 12.897 9.923 2.379 1.00 0.00 C ATOM 1716 CG2 VAL A 112 10.589 9.514 1.607 1.00 0.00 C ATOM 0 H VAL A 112 11.312 9.746 -1.514 1.00 0.00 H new ATOM 0 HA VAL A 112 12.081 11.680 0.598 1.00 0.00 H new ATOM 0 HB VAL A 112 12.350 8.688 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.758 9.132 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.949 9.975 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.588 10.877 2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.504 8.720 2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.281 10.460 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.946 9.287 0.757 1.00 0.00 H new