USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 851 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 62 ASN : amide:sc= -10! K(o=-12!,f=0.18) USER MOD Set 1.2: A 86 THR OG1 : rot -170:sc= -2.43! USER MOD Single : A 18 SER OG : rot 180:sc= 0.0569 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -49:sc= 0.0446! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -26! C(o=-26!,f=-25!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -2.28! USER MOD Single : A 40 SER OG : rot 20:sc= 0.532! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.009) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : A 68 SER OG : rot 77:sc= -0.925! USER MOD Single : A 69 TYR OH : rot -120:sc= -2.59! USER MOD Single : A 79 ASN : amide:sc= -13.1! C(o=-13!,f=-20!) USER MOD Single : A 88 TYR OH : rot 180:sc= -1.9! USER MOD Single : A 90 SER OG : rot 100:sc= -1.83 USER MOD Single : A 91 LYS NZ :NH3+ -173:sc= -4.8! (180deg=-5.56!) USER MOD Single : A 95 THR OG1 : rot -118:sc= 0.315 USER MOD Single : A 97 TYR OH : rot 95:sc= 0.289 USER MOD Single : A 98 SER OG : rot 85:sc= 0.91 USER MOD Single : A 99 ASN : amide:sc= -2.95! K(o=-2.9!,f=-1.5) USER MOD Single : A 104 THR OG1 : rot -50:sc= -1.96! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 60:sc= -0.92 USER MOD Single : A 118 GLN : amide:sc= -2.94! K(o=-2.9!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 9 6.048 11.183 3.298 1.00 0.00 N ATOM 133 CA LEU A 9 4.983 10.412 2.604 1.00 0.00 C ATOM 134 C LEU A 9 5.593 9.408 1.613 1.00 0.00 C ATOM 135 O LEU A 9 6.240 9.771 0.636 1.00 0.00 O ATOM 136 CB LEU A 9 4.145 11.472 1.887 1.00 0.00 C ATOM 137 CG LEU A 9 2.661 11.133 2.028 1.00 0.00 C ATOM 138 CD1 LEU A 9 2.059 11.969 3.158 1.00 0.00 C ATOM 139 CD2 LEU A 9 1.938 11.452 0.718 1.00 0.00 C ATOM 0 HA LEU A 9 4.381 9.818 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.345 12.456 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.420 11.516 0.833 1.00 0.00 H new ATOM 0 HG LEU A 9 2.548 10.073 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.000 11.731 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.575 11.745 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.171 13.028 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.880 11.210 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.048 12.512 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.370 10.861 -0.089 1.00 0.00 H new ATOM 151 N ARG A 10 5.390 8.140 1.869 1.00 0.00 N ATOM 152 CA ARG A 10 5.943 7.084 0.975 1.00 0.00 C ATOM 153 C ARG A 10 4.929 5.958 0.802 1.00 0.00 C ATOM 154 O ARG A 10 4.139 5.677 1.681 1.00 0.00 O ATOM 155 CB ARG A 10 7.178 6.562 1.703 1.00 0.00 C ATOM 156 CG ARG A 10 8.006 7.740 2.198 1.00 0.00 C ATOM 157 CD ARG A 10 8.533 8.521 0.998 1.00 0.00 C ATOM 158 NE ARG A 10 10.012 8.375 1.088 1.00 0.00 N ATOM 159 CZ ARG A 10 10.698 9.084 1.949 1.00 0.00 C ATOM 160 NH1 ARG A 10 10.119 10.033 2.635 1.00 0.00 N ATOM 161 NH2 ARG A 10 11.967 8.841 2.125 1.00 0.00 N ATOM 0 H ARG A 10 4.860 7.791 2.667 1.00 0.00 H new ATOM 0 HA ARG A 10 6.176 7.467 -0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.881 5.933 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.773 5.940 1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.398 8.387 2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.836 7.386 2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.149 8.118 0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.233 9.568 1.041 1.00 0.00 H new ATOM 0 HE ARG A 10 10.494 7.718 0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.126 10.226 2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.660 10.581 3.304 1.00 0.00 H new ATOM 0 HH21 ARG A 10 12.423 8.100 1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.504 9.392 2.795 1.00 0.00 H new ATOM 175 N VAL A 11 4.947 5.301 -0.319 1.00 0.00 N ATOM 176 CA VAL A 11 3.983 4.189 -0.532 1.00 0.00 C ATOM 177 C VAL A 11 4.693 2.969 -1.116 1.00 0.00 C ATOM 178 O VAL A 11 5.202 2.996 -2.220 1.00 0.00 O ATOM 179 CB VAL A 11 2.948 4.738 -1.510 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.251 5.945 -0.883 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.640 5.162 -2.809 1.00 0.00 C ATOM 0 H VAL A 11 5.584 5.483 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 11 3.522 3.862 0.400 1.00 0.00 H new ATOM 0 HB VAL A 11 2.212 3.966 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.511 6.340 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.756 5.641 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.988 6.716 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.898 5.554 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.378 5.934 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.137 4.300 -3.255 1.00 0.00 H new ATOM 191 N LEU A 12 4.723 1.894 -0.382 1.00 0.00 N ATOM 192 CA LEU A 12 5.388 0.669 -0.893 1.00 0.00 C ATOM 193 C LEU A 12 4.320 -0.284 -1.443 1.00 0.00 C ATOM 194 O LEU A 12 3.594 -0.909 -0.703 1.00 0.00 O ATOM 195 CB LEU A 12 6.099 0.049 0.320 1.00 0.00 C ATOM 196 CG LEU A 12 6.741 1.128 1.215 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.218 2.317 0.374 1.00 0.00 C ATOM 198 CD2 LEU A 12 5.722 1.606 2.250 1.00 0.00 C ATOM 0 H LEU A 12 4.315 1.812 0.549 1.00 0.00 H new ATOM 0 HA LEU A 12 6.095 0.876 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.384 -0.531 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.867 -0.644 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 12 7.603 0.694 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.668 3.066 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.957 1.976 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.369 2.755 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.176 2.369 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.855 2.026 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.407 0.764 2.866 1.00 0.00 H new ATOM 210 N VAL A 13 4.219 -0.406 -2.734 1.00 0.00 N ATOM 211 CA VAL A 13 3.194 -1.322 -3.313 1.00 0.00 C ATOM 212 C VAL A 13 3.910 -2.445 -4.035 1.00 0.00 C ATOM 213 O VAL A 13 4.717 -2.214 -4.908 1.00 0.00 O ATOM 214 CB VAL A 13 2.389 -0.463 -4.288 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.109 -1.198 -4.684 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.023 0.860 -3.616 1.00 0.00 C ATOM 0 H VAL A 13 4.798 0.086 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 13 2.541 -1.770 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 13 2.988 -0.270 -5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.537 -0.584 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.365 -2.144 -5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.511 -1.392 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.449 1.474 -4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.425 0.663 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.933 1.388 -3.332 1.00 0.00 H new ATOM 226 N VAL A 14 3.671 -3.659 -3.658 1.00 0.00 N ATOM 227 CA VAL A 14 4.413 -4.749 -4.321 1.00 0.00 C ATOM 228 C VAL A 14 3.540 -5.952 -4.661 1.00 0.00 C ATOM 229 O VAL A 14 2.485 -6.178 -4.093 1.00 0.00 O ATOM 230 CB VAL A 14 5.466 -5.145 -3.302 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.395 -3.964 -3.037 1.00 0.00 C ATOM 232 CG2 VAL A 14 4.781 -5.567 -2.004 1.00 0.00 C ATOM 0 H VAL A 14 3.009 -3.941 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 14 4.819 -4.418 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 14 6.052 -5.979 -3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.150 -4.252 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.884 -3.670 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.816 -3.125 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.535 -5.852 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.193 -4.735 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.125 -6.416 -2.198 1.00 0.00 H new ATOM 242 N GLU A 15 4.021 -6.730 -5.583 1.00 0.00 N ATOM 243 CA GLU A 15 3.315 -7.963 -6.018 1.00 0.00 C ATOM 244 C GLU A 15 4.235 -8.741 -6.958 1.00 0.00 C ATOM 245 O GLU A 15 5.227 -8.232 -7.425 1.00 0.00 O ATOM 246 CB GLU A 15 2.044 -7.501 -6.740 1.00 0.00 C ATOM 247 CG GLU A 15 2.382 -7.055 -8.161 1.00 0.00 C ATOM 248 CD GLU A 15 1.091 -6.749 -8.923 1.00 0.00 C ATOM 249 OE1 GLU A 15 0.231 -6.097 -8.353 1.00 0.00 O ATOM 250 OE2 GLU A 15 0.984 -7.171 -10.062 1.00 0.00 O ATOM 0 H GLU A 15 4.901 -6.558 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 15 3.055 -8.616 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.317 -8.312 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.583 -6.679 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.019 -6.171 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.943 -7.836 -8.674 1.00 0.00 H new ATOM 257 N ASP A 16 3.926 -9.966 -7.218 1.00 0.00 N ATOM 258 CA ASP A 16 4.794 -10.798 -8.109 1.00 0.00 C ATOM 259 C ASP A 16 5.453 -9.982 -9.237 1.00 0.00 C ATOM 260 O ASP A 16 6.518 -9.422 -9.066 1.00 0.00 O ATOM 261 CB ASP A 16 3.874 -11.864 -8.704 1.00 0.00 C ATOM 262 CG ASP A 16 2.474 -11.288 -8.942 1.00 0.00 C ATOM 263 OD1 ASP A 16 2.377 -10.094 -9.173 1.00 0.00 O ATOM 264 OD2 ASP A 16 1.523 -12.051 -8.883 1.00 0.00 O ATOM 0 H ASP A 16 3.102 -10.444 -6.853 1.00 0.00 H new ATOM 0 HA ASP A 16 5.617 -11.222 -7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.289 -12.228 -9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.813 -12.718 -8.030 1.00 0.00 H new ATOM 269 N GLU A 17 4.856 -9.956 -10.403 1.00 0.00 N ATOM 270 CA GLU A 17 5.484 -9.229 -11.553 1.00 0.00 C ATOM 271 C GLU A 17 5.461 -7.696 -11.372 1.00 0.00 C ATOM 272 O GLU A 17 5.068 -7.183 -10.344 1.00 0.00 O ATOM 273 CB GLU A 17 4.717 -9.702 -12.800 1.00 0.00 C ATOM 274 CG GLU A 17 3.355 -9.013 -12.939 1.00 0.00 C ATOM 275 CD GLU A 17 2.619 -8.984 -11.596 1.00 0.00 C ATOM 276 OE1 GLU A 17 3.059 -8.269 -10.713 1.00 0.00 O ATOM 277 OE2 GLU A 17 1.623 -9.678 -11.478 1.00 0.00 O ATOM 0 H GLU A 17 3.964 -10.405 -10.609 1.00 0.00 H new ATOM 0 HA GLU A 17 6.546 -9.457 -11.638 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.315 -9.503 -13.689 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.573 -10.781 -12.748 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.493 -7.996 -13.305 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.751 -9.538 -13.678 1.00 0.00 H new ATOM 284 N SER A 18 5.948 -6.973 -12.355 1.00 0.00 N ATOM 285 CA SER A 18 6.036 -5.477 -12.250 1.00 0.00 C ATOM 286 C SER A 18 4.720 -4.766 -12.586 1.00 0.00 C ATOM 287 O SER A 18 4.663 -3.553 -12.597 1.00 0.00 O ATOM 288 CB SER A 18 7.104 -5.083 -13.266 1.00 0.00 C ATOM 289 OG SER A 18 6.791 -5.671 -14.522 1.00 0.00 O ATOM 0 H SER A 18 6.292 -7.359 -13.235 1.00 0.00 H new ATOM 0 HA SER A 18 6.269 -5.183 -11.226 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.151 -3.998 -13.360 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.085 -5.417 -12.929 1.00 0.00 H new ATOM 0 HG SER A 18 7.473 -5.420 -15.180 1.00 0.00 H new ATOM 295 N MET A 19 3.667 -5.478 -12.852 1.00 0.00 N ATOM 296 CA MET A 19 2.384 -4.787 -13.168 1.00 0.00 C ATOM 297 C MET A 19 2.144 -3.692 -12.127 1.00 0.00 C ATOM 298 O MET A 19 1.468 -2.712 -12.373 1.00 0.00 O ATOM 299 CB MET A 19 1.306 -5.868 -13.088 1.00 0.00 C ATOM 300 CG MET A 19 0.323 -5.683 -14.246 1.00 0.00 C ATOM 301 SD MET A 19 1.114 -6.192 -15.793 1.00 0.00 S ATOM 302 CE MET A 19 0.307 -4.987 -16.876 1.00 0.00 C ATOM 0 H MET A 19 3.634 -6.497 -12.866 1.00 0.00 H new ATOM 0 HA MET A 19 2.386 -4.314 -14.150 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.761 -6.857 -13.136 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.780 -5.805 -12.135 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.576 -6.275 -14.073 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.011 -4.641 -14.310 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.657 -5.125 -17.899 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.773 -5.131 -16.840 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.550 -3.978 -16.543 1.00 0.00 H new ATOM 312 N ILE A 20 2.716 -3.859 -10.968 1.00 0.00 N ATOM 313 CA ILE A 20 2.565 -2.849 -9.886 1.00 0.00 C ATOM 314 C ILE A 20 3.687 -1.814 -9.995 1.00 0.00 C ATOM 315 O ILE A 20 3.567 -0.693 -9.541 1.00 0.00 O ATOM 316 CB ILE A 20 2.716 -3.664 -8.606 1.00 0.00 C ATOM 317 CG1 ILE A 20 2.522 -2.767 -7.389 1.00 0.00 C ATOM 318 CG2 ILE A 20 4.114 -4.272 -8.559 1.00 0.00 C ATOM 319 CD1 ILE A 20 1.548 -3.439 -6.424 1.00 0.00 C ATOM 0 H ILE A 20 3.290 -4.665 -10.722 1.00 0.00 H new ATOM 0 HA ILE A 20 1.621 -2.306 -9.927 1.00 0.00 H new ATOM 0 HB ILE A 20 1.964 -4.453 -8.595 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.478 -2.590 -6.896 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.137 -1.795 -7.696 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.226 -4.856 -7.645 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.258 -4.920 -9.424 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.858 -3.475 -8.575 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.404 -2.803 -5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.591 -3.593 -6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.953 -4.401 -6.110 1.00 0.00 H new ATOM 331 N ALA A 21 4.780 -2.198 -10.594 1.00 0.00 N ATOM 332 CA ALA A 21 5.933 -1.269 -10.747 1.00 0.00 C ATOM 333 C ALA A 21 5.471 0.066 -11.340 1.00 0.00 C ATOM 334 O ALA A 21 5.153 0.997 -10.626 1.00 0.00 O ATOM 335 CB ALA A 21 6.876 -1.988 -11.710 1.00 0.00 C ATOM 0 H ALA A 21 4.924 -3.127 -10.989 1.00 0.00 H new ATOM 0 HA ALA A 21 6.410 -1.037 -9.795 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.759 -1.373 -11.882 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.177 -2.943 -11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.365 -2.162 -12.657 1.00 0.00 H new ATOM 341 N MET A 22 5.431 0.171 -12.644 1.00 0.00 N ATOM 342 CA MET A 22 4.986 1.449 -13.270 1.00 0.00 C ATOM 343 C MET A 22 3.632 1.852 -12.702 1.00 0.00 C ATOM 344 O MET A 22 3.272 3.011 -12.690 1.00 0.00 O ATOM 345 CB MET A 22 4.886 1.162 -14.768 1.00 0.00 C ATOM 346 CG MET A 22 4.404 2.419 -15.494 1.00 0.00 C ATOM 347 SD MET A 22 3.564 1.949 -17.026 1.00 0.00 S ATOM 348 CE MET A 22 1.867 2.144 -16.427 1.00 0.00 C ATOM 0 H MET A 22 5.686 -0.569 -13.298 1.00 0.00 H new ATOM 0 HA MET A 22 5.676 2.269 -13.073 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.857 0.854 -15.156 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.195 0.338 -14.946 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.726 2.984 -14.854 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.250 3.070 -15.716 1.00 0.00 H new ATOM 0 HE1 MET A 22 1.168 1.900 -17.227 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.700 1.475 -15.583 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.709 3.175 -16.110 1.00 0.00 H new ATOM 358 N LEU A 23 2.893 0.909 -12.193 1.00 0.00 N ATOM 359 CA LEU A 23 1.583 1.253 -11.586 1.00 0.00 C ATOM 360 C LEU A 23 1.836 2.183 -10.395 1.00 0.00 C ATOM 361 O LEU A 23 0.931 2.786 -9.855 1.00 0.00 O ATOM 362 CB LEU A 23 0.997 -0.094 -11.140 1.00 0.00 C ATOM 363 CG LEU A 23 -0.202 0.118 -10.208 1.00 0.00 C ATOM 364 CD1 LEU A 23 0.286 0.516 -8.812 1.00 0.00 C ATOM 365 CD2 LEU A 23 -1.107 1.217 -10.771 1.00 0.00 C ATOM 0 H LEU A 23 3.139 -0.081 -12.172 1.00 0.00 H new ATOM 0 HA LEU A 23 0.900 1.768 -12.262 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.688 -0.669 -12.013 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.762 -0.678 -10.629 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.766 -0.812 -10.137 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.571 0.665 -8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.919 -0.275 -8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.858 1.441 -8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.958 1.364 -10.106 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.544 2.147 -10.851 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.465 0.924 -11.758 1.00 0.00 H new ATOM 377 N ILE A 24 3.076 2.296 -9.986 1.00 0.00 N ATOM 378 CA ILE A 24 3.423 3.175 -8.839 1.00 0.00 C ATOM 379 C ILE A 24 4.043 4.483 -9.351 1.00 0.00 C ATOM 380 O ILE A 24 3.675 5.563 -8.932 1.00 0.00 O ATOM 381 CB ILE A 24 4.432 2.345 -8.023 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.190 2.585 -6.532 1.00 0.00 C ATOM 383 CG2 ILE A 24 5.879 2.721 -8.371 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.837 1.462 -5.724 1.00 0.00 C ATOM 0 H ILE A 24 3.867 1.809 -10.406 1.00 0.00 H new ATOM 0 HA ILE A 24 2.561 3.466 -8.238 1.00 0.00 H new ATOM 0 HB ILE A 24 4.287 1.293 -8.267 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.607 3.548 -6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.120 2.624 -6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.565 2.117 -7.777 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.058 2.538 -9.430 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.043 3.776 -8.153 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.665 1.633 -4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.399 0.507 -6.014 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.909 1.444 -5.920 1.00 0.00 H new ATOM 396 N GLU A 25 4.984 4.391 -10.254 1.00 0.00 N ATOM 397 CA GLU A 25 5.626 5.628 -10.785 1.00 0.00 C ATOM 398 C GLU A 25 4.556 6.671 -11.113 1.00 0.00 C ATOM 399 O GLU A 25 4.807 7.860 -11.091 1.00 0.00 O ATOM 400 CB GLU A 25 6.364 5.189 -12.051 1.00 0.00 C ATOM 401 CG GLU A 25 7.620 4.405 -11.660 1.00 0.00 C ATOM 402 CD GLU A 25 8.799 4.858 -12.525 1.00 0.00 C ATOM 403 OE1 GLU A 25 9.109 6.038 -12.498 1.00 0.00 O ATOM 404 OE2 GLU A 25 9.372 4.018 -13.199 1.00 0.00 O ATOM 0 H GLU A 25 5.334 3.516 -10.645 1.00 0.00 H new ATOM 0 HA GLU A 25 6.306 6.084 -10.065 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.713 4.570 -12.669 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.636 6.060 -12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.847 4.565 -10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.449 3.336 -11.791 1.00 0.00 H new ATOM 411 N ASP A 26 3.362 6.235 -11.410 1.00 0.00 N ATOM 412 CA ASP A 26 2.278 7.203 -11.730 1.00 0.00 C ATOM 413 C ASP A 26 1.704 7.770 -10.426 1.00 0.00 C ATOM 414 O ASP A 26 1.361 8.933 -10.338 1.00 0.00 O ATOM 415 CB ASP A 26 1.234 6.386 -12.510 1.00 0.00 C ATOM 416 CG ASP A 26 0.191 5.791 -11.557 1.00 0.00 C ATOM 417 OD1 ASP A 26 0.483 4.773 -10.956 1.00 0.00 O ATOM 418 OD2 ASP A 26 -0.882 6.364 -11.448 1.00 0.00 O ATOM 0 H ASP A 26 3.092 5.252 -11.445 1.00 0.00 H new ATOM 0 HA ASP A 26 2.619 8.056 -12.317 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.741 7.023 -13.245 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.728 5.586 -13.061 1.00 0.00 H new ATOM 423 N THR A 27 1.612 6.953 -9.408 1.00 0.00 N ATOM 424 CA THR A 27 1.078 7.437 -8.106 1.00 0.00 C ATOM 425 C THR A 27 2.018 8.495 -7.529 1.00 0.00 C ATOM 426 O THR A 27 1.608 9.584 -7.182 1.00 0.00 O ATOM 427 CB THR A 27 1.040 6.200 -7.204 1.00 0.00 C ATOM 428 OG1 THR A 27 2.362 5.713 -7.013 1.00 0.00 O ATOM 429 CG2 THR A 27 0.187 5.113 -7.858 1.00 0.00 C ATOM 0 H THR A 27 1.885 5.970 -9.425 1.00 0.00 H new ATOM 0 HA THR A 27 0.093 7.894 -8.201 1.00 0.00 H new ATOM 0 HB THR A 27 0.607 6.468 -6.240 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.813 5.642 -7.880 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.162 4.234 -7.214 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.827 5.485 -8.004 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.617 4.844 -8.823 1.00 0.00 H new ATOM 437 N LEU A 28 3.282 8.184 -7.435 1.00 0.00 N ATOM 438 CA LEU A 28 4.250 9.175 -6.892 1.00 0.00 C ATOM 439 C LEU A 28 4.297 10.395 -7.820 1.00 0.00 C ATOM 440 O LEU A 28 4.630 11.487 -7.409 1.00 0.00 O ATOM 441 CB LEU A 28 5.594 8.422 -6.837 1.00 0.00 C ATOM 442 CG LEU A 28 6.693 9.193 -7.580 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.065 8.664 -7.159 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.515 8.999 -9.087 1.00 0.00 C ATOM 0 H LEU A 28 3.684 7.288 -7.710 1.00 0.00 H new ATOM 0 HA LEU A 28 3.984 9.554 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.889 8.274 -5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.478 7.433 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 28 6.623 10.253 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.844 9.213 -7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.192 8.797 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.137 7.604 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.294 9.545 -9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.586 7.938 -9.328 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.538 9.375 -9.389 1.00 0.00 H new ATOM 456 N CYS A 29 3.951 10.219 -9.068 1.00 0.00 N ATOM 457 CA CYS A 29 3.959 11.378 -10.005 1.00 0.00 C ATOM 458 C CYS A 29 2.953 12.417 -9.511 1.00 0.00 C ATOM 459 O CYS A 29 3.189 13.608 -9.563 1.00 0.00 O ATOM 460 CB CYS A 29 3.525 10.809 -11.356 1.00 0.00 C ATOM 461 SG CYS A 29 4.847 11.057 -12.568 1.00 0.00 S ATOM 0 H CYS A 29 3.665 9.329 -9.476 1.00 0.00 H new ATOM 0 HA CYS A 29 4.933 11.861 -10.075 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.300 9.747 -11.260 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.612 11.299 -11.693 1.00 0.00 H new ATOM 0 HG CYS A 29 4.479 10.571 -13.716 1.00 0.00 H new ATOM 467 N GLU A 30 1.833 11.960 -9.020 1.00 0.00 N ATOM 468 CA GLU A 30 0.798 12.890 -8.503 1.00 0.00 C ATOM 469 C GLU A 30 1.129 13.282 -7.059 1.00 0.00 C ATOM 470 O GLU A 30 1.151 14.445 -6.710 1.00 0.00 O ATOM 471 CB GLU A 30 -0.508 12.093 -8.569 1.00 0.00 C ATOM 472 CG GLU A 30 -1.566 12.747 -7.675 1.00 0.00 C ATOM 473 CD GLU A 30 -2.882 11.975 -7.800 1.00 0.00 C ATOM 474 OE1 GLU A 30 -2.866 10.908 -8.392 1.00 0.00 O ATOM 475 OE2 GLU A 30 -3.883 12.463 -7.300 1.00 0.00 O ATOM 0 H GLU A 30 1.592 10.971 -8.956 1.00 0.00 H new ATOM 0 HA GLU A 30 0.735 13.816 -9.075 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.866 12.050 -9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.334 11.066 -8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.230 12.751 -6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.712 13.787 -7.966 1.00 0.00 H new ATOM 482 N LEU A 31 1.395 12.313 -6.221 1.00 0.00 N ATOM 483 CA LEU A 31 1.736 12.616 -4.798 1.00 0.00 C ATOM 484 C LEU A 31 3.114 13.260 -4.689 1.00 0.00 C ATOM 485 O LEU A 31 3.340 14.135 -3.877 1.00 0.00 O ATOM 486 CB LEU A 31 1.774 11.259 -4.096 1.00 0.00 C ATOM 487 CG LEU A 31 0.412 10.938 -3.497 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.134 9.442 -3.663 1.00 0.00 C ATOM 489 CD2 LEU A 31 0.431 11.301 -2.008 1.00 0.00 C ATOM 0 H LEU A 31 1.391 11.322 -6.462 1.00 0.00 H new ATOM 0 HA LEU A 31 1.013 13.306 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.059 10.482 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.531 11.268 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.368 11.508 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.840 9.203 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.138 9.186 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.906 8.869 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.540 11.076 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.203 10.722 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.643 12.364 -1.895 1.00 0.00 H new ATOM 501 N GLY A 32 4.050 12.804 -5.469 1.00 0.00 N ATOM 502 CA GLY A 32 5.424 13.358 -5.373 1.00 0.00 C ATOM 503 C GLY A 32 6.180 12.561 -4.306 1.00 0.00 C ATOM 504 O GLY A 32 7.251 12.939 -3.873 1.00 0.00 O ATOM 0 H GLY A 32 3.923 12.072 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.932 13.286 -6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.392 14.415 -5.108 1.00 0.00 H new ATOM 508 N HIS A 33 5.616 11.455 -3.879 1.00 0.00 N ATOM 509 CA HIS A 33 6.276 10.614 -2.839 1.00 0.00 C ATOM 510 C HIS A 33 7.779 10.556 -3.079 1.00 0.00 C ATOM 511 O HIS A 33 8.255 10.862 -4.154 1.00 0.00 O ATOM 512 CB HIS A 33 5.667 9.221 -3.012 1.00 0.00 C ATOM 513 CG HIS A 33 4.336 9.165 -2.319 1.00 0.00 C ATOM 514 ND1 HIS A 33 3.265 8.448 -2.825 1.00 0.00 N ATOM 515 CD2 HIS A 33 3.896 9.722 -1.149 1.00 0.00 C ATOM 516 CE1 HIS A 33 2.241 8.590 -1.963 1.00 0.00 C ATOM 517 NE2 HIS A 33 2.572 9.358 -0.924 1.00 0.00 N ATOM 0 H HIS A 33 4.720 11.100 -4.212 1.00 0.00 H new ATOM 0 HA HIS A 33 6.124 11.013 -1.836 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.547 8.994 -4.071 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.336 8.466 -2.598 1.00 0.00 H new ATOM 0 HD1 HIS A 33 3.254 7.911 -3.692 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.487 10.349 -0.498 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.270 8.137 -2.096 1.00 0.00 H new ATOM 525 N GLU A 34 8.537 10.151 -2.098 1.00 0.00 N ATOM 526 CA GLU A 34 10.012 10.072 -2.317 1.00 0.00 C ATOM 527 C GLU A 34 10.346 8.816 -3.127 1.00 0.00 C ATOM 528 O GLU A 34 10.813 8.894 -4.247 1.00 0.00 O ATOM 529 CB GLU A 34 10.639 9.998 -0.928 1.00 0.00 C ATOM 530 CG GLU A 34 11.825 10.964 -0.854 1.00 0.00 C ATOM 531 CD GLU A 34 11.854 11.635 0.521 1.00 0.00 C ATOM 532 OE1 GLU A 34 11.224 12.669 0.666 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.506 11.101 1.404 1.00 0.00 O ATOM 0 H GLU A 34 8.210 9.876 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 34 10.389 10.930 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.900 10.253 -0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.971 8.981 -0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.757 10.426 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.742 11.718 -1.637 1.00 0.00 H new ATOM 540 N VAL A 35 10.102 7.658 -2.577 1.00 0.00 N ATOM 541 CA VAL A 35 10.398 6.402 -3.325 1.00 0.00 C ATOM 542 C VAL A 35 9.343 5.335 -2.994 1.00 0.00 C ATOM 543 O VAL A 35 9.053 5.072 -1.844 1.00 0.00 O ATOM 544 CB VAL A 35 11.807 5.983 -2.863 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.727 4.940 -1.742 1.00 0.00 C ATOM 546 CG2 VAL A 35 12.572 5.391 -4.049 1.00 0.00 C ATOM 0 H VAL A 35 9.711 7.527 -1.644 1.00 0.00 H new ATOM 0 HA VAL A 35 10.367 6.534 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 35 12.324 6.864 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.734 4.660 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.190 5.360 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.200 4.057 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 35 13.570 5.093 -3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.038 4.520 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.654 6.138 -4.839 1.00 0.00 H new ATOM 556 N ALA A 36 8.765 4.726 -3.991 1.00 0.00 N ATOM 557 CA ALA A 36 7.735 3.691 -3.730 1.00 0.00 C ATOM 558 C ALA A 36 8.351 2.295 -3.831 1.00 0.00 C ATOM 559 O ALA A 36 9.549 2.142 -3.966 1.00 0.00 O ATOM 560 CB ALA A 36 6.686 3.892 -4.823 1.00 0.00 C ATOM 0 H ALA A 36 8.964 4.903 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 36 7.307 3.778 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.887 3.161 -4.699 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.273 4.898 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.149 3.760 -5.801 1.00 0.00 H new ATOM 566 N ALA A 37 7.540 1.275 -3.775 1.00 0.00 N ATOM 567 CA ALA A 37 8.077 -0.112 -3.877 1.00 0.00 C ATOM 568 C ALA A 37 7.433 -0.827 -5.066 1.00 0.00 C ATOM 569 O ALA A 37 6.277 -0.618 -5.370 1.00 0.00 O ATOM 570 CB ALA A 37 7.685 -0.793 -2.564 1.00 0.00 C ATOM 0 H ALA A 37 6.528 1.341 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 37 9.156 -0.131 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.047 -1.821 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.128 -0.253 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.600 -0.791 -2.463 1.00 0.00 H new ATOM 576 N THR A 38 8.183 -1.654 -5.746 1.00 0.00 N ATOM 577 CA THR A 38 7.634 -2.377 -6.928 1.00 0.00 C ATOM 578 C THR A 38 7.828 -3.888 -6.785 1.00 0.00 C ATOM 579 O THR A 38 8.705 -4.355 -6.087 1.00 0.00 O ATOM 580 CB THR A 38 8.432 -1.839 -8.121 1.00 0.00 C ATOM 581 OG1 THR A 38 7.917 -0.572 -8.501 1.00 0.00 O ATOM 582 CG2 THR A 38 8.329 -2.814 -9.299 1.00 0.00 C ATOM 0 H THR A 38 9.159 -1.860 -5.531 1.00 0.00 H new ATOM 0 HA THR A 38 6.562 -2.217 -7.042 1.00 0.00 H new ATOM 0 HB THR A 38 9.479 -1.735 -7.837 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.428 -0.226 -9.263 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.898 -2.426 -10.144 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.731 -3.783 -9.005 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.284 -2.927 -9.587 1.00 0.00 H new ATOM 590 N ALA A 39 6.997 -4.640 -7.458 1.00 0.00 N ATOM 591 CA ALA A 39 7.066 -6.130 -7.403 1.00 0.00 C ATOM 592 C ALA A 39 7.118 -6.606 -5.953 1.00 0.00 C ATOM 593 O ALA A 39 7.377 -5.845 -5.059 1.00 0.00 O ATOM 594 CB ALA A 39 8.336 -6.525 -8.140 1.00 0.00 C ATOM 0 H ALA A 39 6.257 -4.275 -8.057 1.00 0.00 H new ATOM 0 HA ALA A 39 6.187 -6.586 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.439 -7.610 -8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.283 -6.173 -9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.198 -6.075 -7.647 1.00 0.00 H new ATOM 600 N SER A 40 6.851 -7.856 -5.713 1.00 0.00 N ATOM 601 CA SER A 40 6.876 -8.363 -4.310 1.00 0.00 C ATOM 602 C SER A 40 8.316 -8.625 -3.872 1.00 0.00 C ATOM 603 O SER A 40 9.078 -9.273 -4.561 1.00 0.00 O ATOM 604 CB SER A 40 6.067 -9.653 -4.339 1.00 0.00 C ATOM 605 OG SER A 40 6.783 -10.645 -5.060 1.00 0.00 O ATOM 0 H SER A 40 6.617 -8.550 -6.423 1.00 0.00 H new ATOM 0 HA SER A 40 6.460 -7.647 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.873 -9.996 -3.323 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.098 -9.477 -4.806 1.00 0.00 H new ATOM 0 HG SER A 40 7.732 -10.403 -5.095 1.00 0.00 H new ATOM 611 N ARG A 41 8.699 -8.117 -2.733 1.00 0.00 N ATOM 612 CA ARG A 41 10.088 -8.327 -2.261 1.00 0.00 C ATOM 613 C ARG A 41 10.125 -8.459 -0.738 1.00 0.00 C ATOM 614 O ARG A 41 9.760 -7.553 -0.018 1.00 0.00 O ATOM 615 CB ARG A 41 10.842 -7.076 -2.703 1.00 0.00 C ATOM 616 CG ARG A 41 12.302 -7.433 -2.973 1.00 0.00 C ATOM 617 CD ARG A 41 12.373 -8.429 -4.133 1.00 0.00 C ATOM 618 NE ARG A 41 13.019 -7.679 -5.246 1.00 0.00 N ATOM 619 CZ ARG A 41 12.896 -8.102 -6.475 1.00 0.00 C ATOM 620 NH1 ARG A 41 13.414 -9.246 -6.828 1.00 0.00 N ATOM 621 NH2 ARG A 41 12.256 -7.380 -7.354 1.00 0.00 N ATOM 0 H ARG A 41 8.107 -7.566 -2.112 1.00 0.00 H new ATOM 0 HA ARG A 41 10.525 -9.240 -2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.385 -6.661 -3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.780 -6.309 -1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.869 -6.534 -3.215 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.754 -7.864 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.954 -9.310 -3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.380 -8.777 -4.416 1.00 0.00 H new ATOM 0 HE ARG A 41 13.557 -6.835 -5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.916 -9.811 -6.143 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.317 -9.575 -7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.851 -6.484 -7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.160 -7.711 -8.314 1.00 0.00 H new ATOM 635 N MET A 42 10.569 -9.580 -0.243 1.00 0.00 N ATOM 636 CA MET A 42 10.635 -9.766 1.232 1.00 0.00 C ATOM 637 C MET A 42 11.546 -8.707 1.858 1.00 0.00 C ATOM 638 O MET A 42 11.324 -8.257 2.964 1.00 0.00 O ATOM 639 CB MET A 42 11.219 -11.164 1.425 1.00 0.00 C ATOM 640 CG MET A 42 10.255 -12.201 0.847 1.00 0.00 C ATOM 641 SD MET A 42 10.997 -13.847 0.964 1.00 0.00 S ATOM 642 CE MET A 42 11.349 -14.063 -0.798 1.00 0.00 C ATOM 0 H MET A 42 10.889 -10.375 -0.796 1.00 0.00 H new ATOM 0 HA MET A 42 9.660 -9.663 1.708 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.188 -11.237 0.931 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.386 -11.357 2.485 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.310 -12.177 1.390 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.031 -11.965 -0.193 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.819 -15.033 -0.959 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.419 -14.012 -1.364 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.021 -13.274 -1.134 1.00 0.00 H new ATOM 652 N GLN A 43 12.570 -8.305 1.156 1.00 0.00 N ATOM 653 CA GLN A 43 13.495 -7.273 1.707 1.00 0.00 C ATOM 654 C GLN A 43 12.775 -5.925 1.806 1.00 0.00 C ATOM 655 O GLN A 43 12.684 -5.336 2.865 1.00 0.00 O ATOM 656 CB GLN A 43 14.646 -7.199 0.702 1.00 0.00 C ATOM 657 CG GLN A 43 15.812 -6.416 1.310 1.00 0.00 C ATOM 658 CD GLN A 43 16.635 -7.341 2.209 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.567 -7.976 1.755 1.00 0.00 O ATOM 660 NE2 GLN A 43 16.333 -7.442 3.474 1.00 0.00 N ATOM 0 H GLN A 43 12.807 -8.646 0.224 1.00 0.00 H new ATOM 0 HA GLN A 43 13.847 -7.519 2.709 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.971 -8.204 0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.310 -6.716 -0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 43 16.441 -6.007 0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.435 -5.572 1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.551 -6.910 3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.879 -8.053 4.081 1.00 0.00 H new ATOM 669 N GLU A 44 12.260 -5.434 0.711 1.00 0.00 N ATOM 670 CA GLU A 44 11.545 -4.129 0.746 1.00 0.00 C ATOM 671 C GLU A 44 10.198 -4.289 1.453 1.00 0.00 C ATOM 672 O GLU A 44 9.767 -3.425 2.190 1.00 0.00 O ATOM 673 CB GLU A 44 11.339 -3.743 -0.718 1.00 0.00 C ATOM 674 CG GLU A 44 12.562 -2.978 -1.225 1.00 0.00 C ATOM 675 CD GLU A 44 12.946 -3.498 -2.611 1.00 0.00 C ATOM 676 OE1 GLU A 44 12.139 -3.365 -3.516 1.00 0.00 O ATOM 677 OE2 GLU A 44 14.039 -4.025 -2.743 1.00 0.00 O ATOM 0 H GLU A 44 12.304 -5.881 -0.205 1.00 0.00 H new ATOM 0 HA GLU A 44 12.104 -3.367 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.181 -4.637 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.445 -3.128 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.344 -1.911 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.395 -3.103 -0.534 1.00 0.00 H new ATOM 684 N ALA A 45 9.530 -5.391 1.241 1.00 0.00 N ATOM 685 CA ALA A 45 8.216 -5.597 1.913 1.00 0.00 C ATOM 686 C ALA A 45 8.394 -5.459 3.425 1.00 0.00 C ATOM 687 O ALA A 45 7.509 -5.014 4.129 1.00 0.00 O ATOM 688 CB ALA A 45 7.794 -7.018 1.545 1.00 0.00 C ATOM 0 H ALA A 45 9.835 -6.153 0.635 1.00 0.00 H new ATOM 0 HA ALA A 45 7.466 -4.868 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.832 -7.243 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.707 -7.103 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.542 -7.724 1.905 1.00 0.00 H new ATOM 694 N LEU A 46 9.540 -5.829 3.924 1.00 0.00 N ATOM 695 CA LEU A 46 9.791 -5.712 5.383 1.00 0.00 C ATOM 696 C LEU A 46 9.870 -4.234 5.772 1.00 0.00 C ATOM 697 O LEU A 46 9.478 -3.842 6.851 1.00 0.00 O ATOM 698 CB LEU A 46 11.138 -6.399 5.604 1.00 0.00 C ATOM 699 CG LEU A 46 11.353 -6.636 7.100 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.224 -7.512 7.647 1.00 0.00 C ATOM 701 CD2 LEU A 46 12.694 -7.343 7.316 1.00 0.00 C ATOM 0 H LEU A 46 10.315 -6.209 3.380 1.00 0.00 H new ATOM 0 HA LEU A 46 9.003 -6.163 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.166 -7.347 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.943 -5.782 5.204 1.00 0.00 H new ATOM 0 HG LEU A 46 11.356 -5.679 7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.378 -7.680 8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.268 -7.012 7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.221 -8.469 7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.848 -7.512 8.382 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.689 -8.300 6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.500 -6.721 6.927 1.00 0.00 H new ATOM 713 N ASP A 47 10.376 -3.415 4.890 1.00 0.00 N ATOM 714 CA ASP A 47 10.486 -1.962 5.189 1.00 0.00 C ATOM 715 C ASP A 47 9.094 -1.330 5.264 1.00 0.00 C ATOM 716 O ASP A 47 8.843 -0.456 6.071 1.00 0.00 O ATOM 717 CB ASP A 47 11.275 -1.378 4.018 1.00 0.00 C ATOM 718 CG ASP A 47 12.747 -1.247 4.409 1.00 0.00 C ATOM 719 OD1 ASP A 47 13.031 -0.494 5.326 1.00 0.00 O ATOM 720 OD2 ASP A 47 13.566 -1.902 3.786 1.00 0.00 O ATOM 0 H ASP A 47 10.719 -3.693 3.971 1.00 0.00 H new ATOM 0 HA ASP A 47 10.973 -1.773 6.146 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.176 -2.020 3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.872 -0.403 3.745 1.00 0.00 H new ATOM 725 N ILE A 48 8.183 -1.768 4.436 1.00 0.00 N ATOM 726 CA ILE A 48 6.811 -1.187 4.478 1.00 0.00 C ATOM 727 C ILE A 48 6.120 -1.627 5.768 1.00 0.00 C ATOM 728 O ILE A 48 5.234 -0.977 6.247 1.00 0.00 O ATOM 729 CB ILE A 48 6.040 -1.702 3.235 1.00 0.00 C ATOM 730 CG1 ILE A 48 5.261 -2.987 3.567 1.00 0.00 C ATOM 731 CG2 ILE A 48 7.004 -1.974 2.085 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.862 -3.707 2.271 1.00 0.00 C ATOM 0 H ILE A 48 8.328 -2.497 3.738 1.00 0.00 H new ATOM 0 HA ILE A 48 6.842 -0.098 4.462 1.00 0.00 H new ATOM 0 HB ILE A 48 5.333 -0.929 2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.873 -3.644 4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.371 -2.743 4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.447 -2.335 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.526 -1.054 1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.730 -2.728 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.311 -4.615 2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.233 -3.051 1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.759 -3.966 1.708 1.00 0.00 H new ATOM 744 N ALA A 49 6.508 -2.741 6.322 1.00 0.00 N ATOM 745 CA ALA A 49 5.847 -3.210 7.570 1.00 0.00 C ATOM 746 C ALA A 49 6.613 -2.745 8.816 1.00 0.00 C ATOM 747 O ALA A 49 6.054 -2.140 9.709 1.00 0.00 O ATOM 748 CB ALA A 49 5.856 -4.735 7.473 1.00 0.00 C ATOM 0 H ALA A 49 7.250 -3.344 5.967 1.00 0.00 H new ATOM 0 HA ALA A 49 4.839 -2.807 7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.384 -5.159 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.306 -5.046 6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.885 -5.089 7.405 1.00 0.00 H new ATOM 754 N ARG A 50 7.881 -3.046 8.894 1.00 0.00 N ATOM 755 CA ARG A 50 8.678 -2.650 10.094 1.00 0.00 C ATOM 756 C ARG A 50 8.697 -1.128 10.285 1.00 0.00 C ATOM 757 O ARG A 50 8.792 -0.641 11.394 1.00 0.00 O ATOM 758 CB ARG A 50 10.090 -3.168 9.816 1.00 0.00 C ATOM 759 CG ARG A 50 10.368 -4.391 10.694 1.00 0.00 C ATOM 760 CD ARG A 50 9.963 -5.661 9.943 1.00 0.00 C ATOM 761 NE ARG A 50 9.331 -6.534 10.972 1.00 0.00 N ATOM 762 CZ ARG A 50 8.124 -6.998 10.783 1.00 0.00 C ATOM 763 NH1 ARG A 50 7.092 -6.203 10.886 1.00 0.00 N ATOM 764 NH2 ARG A 50 7.949 -8.258 10.488 1.00 0.00 N ATOM 0 H ARG A 50 8.402 -3.551 8.177 1.00 0.00 H new ATOM 0 HA ARG A 50 8.251 -3.063 11.008 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.191 -3.432 8.763 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.822 -2.387 10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.426 -4.432 10.955 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.812 -4.315 11.628 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.267 -5.436 9.135 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.829 -6.146 9.492 1.00 0.00 H new ATOM 0 HE ARG A 50 9.840 -6.769 11.824 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.228 -5.218 11.114 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.151 -6.567 10.738 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.754 -8.879 10.405 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.007 -8.621 10.340 1.00 0.00 H new ATOM 778 N LYS A 51 8.623 -0.370 9.225 1.00 0.00 N ATOM 779 CA LYS A 51 8.654 1.117 9.377 1.00 0.00 C ATOM 780 C LYS A 51 7.551 1.590 10.329 1.00 0.00 C ATOM 781 O LYS A 51 7.787 2.390 11.214 1.00 0.00 O ATOM 782 CB LYS A 51 8.408 1.671 7.972 1.00 0.00 C ATOM 783 CG LYS A 51 8.219 3.192 8.046 1.00 0.00 C ATOM 784 CD LYS A 51 9.547 3.891 7.741 1.00 0.00 C ATOM 785 CE LYS A 51 9.940 4.784 8.920 1.00 0.00 C ATOM 786 NZ LYS A 51 11.166 5.502 8.470 1.00 0.00 N ATOM 0 H LYS A 51 8.543 -0.710 8.267 1.00 0.00 H new ATOM 0 HA LYS A 51 9.601 1.457 9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.249 1.430 7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.524 1.205 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.458 3.509 7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.866 3.477 9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.325 3.150 7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.455 4.489 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.142 5.484 9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.135 4.193 9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.495 6.135 9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.911 4.811 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.948 6.062 7.621 1.00 0.00 H new ATOM 800 N GLY A 52 6.350 1.113 10.152 1.00 0.00 N ATOM 801 CA GLY A 52 5.238 1.549 11.043 1.00 0.00 C ATOM 802 C GLY A 52 4.624 2.842 10.498 1.00 0.00 C ATOM 803 O GLY A 52 3.420 2.980 10.417 1.00 0.00 O ATOM 0 H GLY A 52 6.091 0.441 9.430 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.478 0.770 11.102 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.610 1.709 12.055 1.00 0.00 H new ATOM 807 N GLN A 53 5.444 3.787 10.121 1.00 0.00 N ATOM 808 CA GLN A 53 4.910 5.073 9.576 1.00 0.00 C ATOM 809 C GLN A 53 5.372 5.259 8.125 1.00 0.00 C ATOM 810 O GLN A 53 5.877 6.297 7.743 1.00 0.00 O ATOM 811 CB GLN A 53 5.472 6.182 10.483 1.00 0.00 C ATOM 812 CG GLN A 53 6.855 5.791 11.013 1.00 0.00 C ATOM 813 CD GLN A 53 7.400 6.905 11.912 1.00 0.00 C ATOM 814 OE1 GLN A 53 8.593 7.002 12.121 1.00 0.00 O ATOM 815 NE2 GLN A 53 6.573 7.755 12.458 1.00 0.00 N ATOM 0 H GLN A 53 6.461 3.725 10.166 1.00 0.00 H new ATOM 0 HA GLN A 53 3.820 5.092 9.567 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.540 7.116 9.926 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.792 6.357 11.317 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.790 4.858 11.573 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.537 5.616 10.181 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.571 7.675 12.284 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.929 8.499 13.059 1.00 0.00 H new ATOM 824 N PHE A 54 5.186 4.248 7.318 1.00 0.00 N ATOM 825 CA PHE A 54 5.594 4.328 5.881 1.00 0.00 C ATOM 826 C PHE A 54 4.433 4.855 5.036 1.00 0.00 C ATOM 827 O PHE A 54 4.484 4.843 3.823 1.00 0.00 O ATOM 828 CB PHE A 54 5.954 2.897 5.452 1.00 0.00 C ATOM 829 CG PHE A 54 4.808 1.954 5.747 1.00 0.00 C ATOM 830 CD1 PHE A 54 4.681 1.381 7.018 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.870 1.657 4.753 1.00 0.00 C ATOM 832 CE1 PHE A 54 3.617 0.519 7.298 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.809 0.789 5.033 1.00 0.00 C ATOM 834 CZ PHE A 54 2.681 0.222 6.305 1.00 0.00 C ATOM 0 H PHE A 54 4.765 3.361 7.594 1.00 0.00 H new ATOM 0 HA PHE A 54 6.437 5.005 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.185 2.877 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.850 2.567 5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.408 1.606 7.785 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.964 2.097 3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.519 0.083 8.281 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.087 0.556 4.265 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.859 -0.445 6.519 1.00 0.00 H new ATOM 844 N ASP A 55 3.393 5.322 5.676 1.00 0.00 N ATOM 845 CA ASP A 55 2.214 5.875 4.938 1.00 0.00 C ATOM 846 C ASP A 55 1.333 4.763 4.355 1.00 0.00 C ATOM 847 O ASP A 55 0.188 4.641 4.723 1.00 0.00 O ATOM 848 CB ASP A 55 2.788 6.747 3.820 1.00 0.00 C ATOM 849 CG ASP A 55 2.167 8.142 3.891 1.00 0.00 C ATOM 850 OD1 ASP A 55 2.543 8.890 4.777 1.00 0.00 O ATOM 851 OD2 ASP A 55 1.327 8.438 3.058 1.00 0.00 O ATOM 0 H ASP A 55 3.308 5.345 6.692 1.00 0.00 H new ATOM 0 HA ASP A 55 1.574 6.446 5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.872 6.814 3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.582 6.295 2.850 1.00 0.00 H new ATOM 856 N ILE A 56 1.831 3.972 3.431 1.00 0.00 N ATOM 857 CA ILE A 56 0.963 2.901 2.831 1.00 0.00 C ATOM 858 C ILE A 56 1.800 1.721 2.310 1.00 0.00 C ATOM 859 O ILE A 56 2.947 1.885 1.949 1.00 0.00 O ATOM 860 CB ILE A 56 0.265 3.607 1.669 1.00 0.00 C ATOM 861 CG1 ILE A 56 -0.509 4.817 2.202 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.698 2.641 0.982 1.00 0.00 C ATOM 863 CD1 ILE A 56 -1.447 5.347 1.117 1.00 0.00 C ATOM 0 H ILE A 56 2.784 4.018 3.070 1.00 0.00 H new ATOM 0 HA ILE A 56 0.271 2.478 3.559 1.00 0.00 H new ATOM 0 HB ILE A 56 1.010 3.941 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.082 4.534 3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.186 5.599 2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.193 3.148 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.143 1.783 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.445 2.301 1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.996 6.208 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.864 5.646 0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.151 4.565 0.831 1.00 0.00 H new ATOM 875 N ALA A 57 1.238 0.526 2.256 1.00 0.00 N ATOM 876 CA ALA A 57 2.033 -0.639 1.746 1.00 0.00 C ATOM 877 C ALA A 57 1.102 -1.679 1.121 1.00 0.00 C ATOM 878 O ALA A 57 0.071 -1.997 1.673 1.00 0.00 O ATOM 879 CB ALA A 57 2.734 -1.222 2.972 1.00 0.00 C ATOM 0 H ALA A 57 0.281 0.314 2.538 1.00 0.00 H new ATOM 0 HA ALA A 57 2.746 -0.341 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.336 -2.080 2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.379 -0.464 3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.988 -1.538 3.702 1.00 0.00 H new ATOM 885 N ILE A 58 1.429 -2.205 -0.031 1.00 0.00 N ATOM 886 CA ILE A 58 0.503 -3.198 -0.645 1.00 0.00 C ATOM 887 C ILE A 58 1.208 -4.477 -1.109 1.00 0.00 C ATOM 888 O ILE A 58 1.685 -4.568 -2.223 1.00 0.00 O ATOM 889 CB ILE A 58 -0.101 -2.476 -1.845 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.985 -1.328 -1.357 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.944 -3.460 -2.658 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.102 -0.159 -0.916 1.00 0.00 C ATOM 0 H ILE A 58 2.275 -1.996 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.236 -3.527 0.086 1.00 0.00 H new ATOM 0 HB ILE A 58 0.698 -2.078 -2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.659 -1.009 -2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.608 -1.661 -0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.377 -2.946 -3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.314 -4.279 -3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.743 -3.858 -2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.731 0.661 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.553 -0.483 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.501 0.179 -1.758 1.00 0.00 H new ATOM 904 N ILE A 59 1.205 -5.489 -0.287 1.00 0.00 N ATOM 905 CA ILE A 59 1.793 -6.799 -0.696 1.00 0.00 C ATOM 906 C ILE A 59 0.628 -7.648 -1.200 1.00 0.00 C ATOM 907 O ILE A 59 0.252 -8.642 -0.612 1.00 0.00 O ATOM 908 CB ILE A 59 2.398 -7.391 0.580 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.750 -6.735 0.858 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.590 -8.900 0.409 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.918 -6.553 2.366 1.00 0.00 C ATOM 0 H ILE A 59 0.819 -5.467 0.657 1.00 0.00 H new ATOM 0 HA ILE A 59 2.555 -6.734 -1.473 1.00 0.00 H new ATOM 0 HB ILE A 59 1.724 -7.205 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.556 -7.353 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.810 -5.770 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.021 -9.317 1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.626 -9.370 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.261 -9.089 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.881 -6.085 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.118 -5.918 2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.875 -7.525 2.857 1.00 0.00 H new ATOM 923 N ASP A 60 0.015 -7.205 -2.261 1.00 0.00 N ATOM 924 CA ASP A 60 -1.185 -7.907 -2.803 1.00 0.00 C ATOM 925 C ASP A 60 -0.917 -9.369 -3.154 1.00 0.00 C ATOM 926 O ASP A 60 0.042 -9.974 -2.721 1.00 0.00 O ATOM 927 CB ASP A 60 -1.564 -7.120 -4.061 1.00 0.00 C ATOM 928 CG ASP A 60 -0.545 -7.384 -5.170 1.00 0.00 C ATOM 929 OD1 ASP A 60 0.381 -8.140 -4.931 1.00 0.00 O ATOM 930 OD2 ASP A 60 -0.711 -6.827 -6.245 1.00 0.00 O ATOM 0 H ASP A 60 0.297 -6.376 -2.784 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.979 -7.936 -2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.560 -7.410 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.601 -6.054 -3.836 1.00 0.00 H new ATOM 935 N VAL A 61 -1.792 -9.925 -3.947 1.00 0.00 N ATOM 936 CA VAL A 61 -1.668 -11.344 -4.378 1.00 0.00 C ATOM 937 C VAL A 61 -1.328 -12.271 -3.199 1.00 0.00 C ATOM 938 O VAL A 61 -0.229 -12.298 -2.684 1.00 0.00 O ATOM 939 CB VAL A 61 -0.591 -11.336 -5.471 1.00 0.00 C ATOM 940 CG1 VAL A 61 0.776 -11.749 -4.922 1.00 0.00 C ATOM 941 CG2 VAL A 61 -1.002 -12.307 -6.579 1.00 0.00 C ATOM 0 H VAL A 61 -2.608 -9.441 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.607 -11.742 -4.763 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.505 -10.321 -5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.512 -11.731 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.078 -11.055 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.713 -12.756 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.243 -12.309 -7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.099 -13.311 -6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.957 -11.994 -7.001 1.00 0.00 H new ATOM 951 N ASN A 62 -2.294 -13.044 -2.796 1.00 0.00 N ATOM 952 CA ASN A 62 -2.108 -14.018 -1.686 1.00 0.00 C ATOM 953 C ASN A 62 -2.776 -15.325 -2.110 1.00 0.00 C ATOM 954 O ASN A 62 -3.166 -16.143 -1.300 1.00 0.00 O ATOM 955 CB ASN A 62 -2.831 -13.414 -0.482 1.00 0.00 C ATOM 956 CG ASN A 62 -4.323 -13.405 -0.775 1.00 0.00 C ATOM 957 OD1 ASN A 62 -5.087 -14.118 -0.156 1.00 0.00 O ATOM 958 ND2 ASN A 62 -4.767 -12.616 -1.703 1.00 0.00 N ATOM 0 H ASN A 62 -3.230 -13.042 -3.200 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.063 -14.214 -1.448 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.624 -13.996 0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.475 -12.401 -0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.764 -12.591 -1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.119 -12.020 -2.219 1.00 0.00 H new ATOM 965 N LEU A 63 -2.930 -15.495 -3.395 1.00 0.00 N ATOM 966 CA LEU A 63 -3.592 -16.706 -3.939 1.00 0.00 C ATOM 967 C LEU A 63 -2.600 -17.483 -4.785 1.00 0.00 C ATOM 968 O LEU A 63 -1.529 -17.001 -5.100 1.00 0.00 O ATOM 969 CB LEU A 63 -4.721 -16.167 -4.820 1.00 0.00 C ATOM 970 CG LEU A 63 -6.072 -16.595 -4.252 1.00 0.00 C ATOM 971 CD1 LEU A 63 -6.208 -16.074 -2.821 1.00 0.00 C ATOM 972 CD2 LEU A 63 -7.193 -16.007 -5.115 1.00 0.00 C ATOM 0 H LEU A 63 -2.617 -14.829 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.960 -17.374 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.666 -15.080 -4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.610 -16.540 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.142 -17.683 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.172 -16.378 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.408 -16.486 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.142 -14.986 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.159 -16.311 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.123 -14.919 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.095 -16.372 -6.137 1.00 0.00 H new ATOM 984 N ASP A 64 -2.934 -18.677 -5.160 1.00 0.00 N ATOM 985 CA ASP A 64 -1.989 -19.464 -5.984 1.00 0.00 C ATOM 986 C ASP A 64 -0.633 -19.535 -5.281 1.00 0.00 C ATOM 987 O ASP A 64 0.373 -19.839 -5.891 1.00 0.00 O ATOM 988 CB ASP A 64 -1.859 -18.686 -7.294 1.00 0.00 C ATOM 989 CG ASP A 64 -2.677 -19.381 -8.384 1.00 0.00 C ATOM 990 OD1 ASP A 64 -3.884 -19.465 -8.229 1.00 0.00 O ATOM 991 OD2 ASP A 64 -2.082 -19.815 -9.357 1.00 0.00 O ATOM 0 H ASP A 64 -3.814 -19.141 -4.934 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.332 -20.486 -6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.210 -17.663 -7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.812 -18.627 -7.592 1.00 0.00 H new ATOM 996 N GLY A 65 -0.586 -19.248 -4.004 1.00 0.00 N ATOM 997 CA GLY A 65 0.721 -19.300 -3.295 1.00 0.00 C ATOM 998 C GLY A 65 0.642 -18.577 -1.950 1.00 0.00 C ATOM 999 O GLY A 65 1.449 -18.803 -1.069 1.00 0.00 O ATOM 0 H GLY A 65 -1.387 -18.984 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.013 -20.338 -3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.493 -18.842 -3.913 1.00 0.00 H new ATOM 1003 N GLU A 66 -0.299 -17.694 -1.786 1.00 0.00 N ATOM 1004 CA GLU A 66 -0.393 -16.947 -0.501 1.00 0.00 C ATOM 1005 C GLU A 66 0.956 -16.270 -0.194 1.00 0.00 C ATOM 1006 O GLU A 66 1.436 -16.309 0.921 1.00 0.00 O ATOM 1007 CB GLU A 66 -0.736 -18.020 0.541 1.00 0.00 C ATOM 1008 CG GLU A 66 -0.513 -17.512 1.979 1.00 0.00 C ATOM 1009 CD GLU A 66 -0.891 -16.033 2.106 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -1.675 -15.570 1.303 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -0.396 -15.394 3.020 1.00 0.00 O ATOM 0 H GLU A 66 -1.006 -17.456 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.139 -16.153 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.775 -18.325 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.122 -18.904 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.109 -18.104 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.532 -17.649 2.259 1.00 0.00 H new ATOM 1018 N PRO A 67 1.533 -15.669 -1.205 1.00 0.00 N ATOM 1019 CA PRO A 67 2.840 -14.986 -1.036 1.00 0.00 C ATOM 1020 C PRO A 67 2.671 -13.641 -0.312 1.00 0.00 C ATOM 1021 O PRO A 67 2.803 -12.589 -0.904 1.00 0.00 O ATOM 1022 CB PRO A 67 3.311 -14.765 -2.469 1.00 0.00 C ATOM 1023 CG PRO A 67 2.062 -14.730 -3.289 1.00 0.00 C ATOM 1024 CD PRO A 67 1.038 -15.575 -2.585 1.00 0.00 C ATOM 0 HA PRO A 67 3.543 -15.563 -0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.869 -13.833 -2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.974 -15.567 -2.794 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.704 -13.706 -3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.251 -15.112 -4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.050 -15.117 -2.623 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.951 -16.560 -3.044 1.00 0.00 H new ATOM 1032 N SER A 68 2.390 -13.667 0.963 1.00 0.00 N ATOM 1033 CA SER A 68 2.229 -12.387 1.722 1.00 0.00 C ATOM 1034 C SER A 68 3.147 -12.385 2.952 1.00 0.00 C ATOM 1035 O SER A 68 3.273 -11.391 3.642 1.00 0.00 O ATOM 1036 CB SER A 68 0.761 -12.349 2.153 1.00 0.00 C ATOM 1037 OG SER A 68 0.102 -13.527 1.707 1.00 0.00 O ATOM 0 H SER A 68 2.265 -14.516 1.514 1.00 0.00 H new ATOM 0 HA SER A 68 2.495 -11.519 1.119 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.692 -12.270 3.238 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.272 -11.468 1.738 1.00 0.00 H new ATOM 0 HG SER A 68 0.344 -14.277 2.289 1.00 0.00 H new ATOM 1043 N TYR A 69 3.791 -13.500 3.214 1.00 0.00 N ATOM 1044 CA TYR A 69 4.715 -13.625 4.385 1.00 0.00 C ATOM 1045 C TYR A 69 4.094 -13.015 5.645 1.00 0.00 C ATOM 1046 O TYR A 69 3.037 -12.411 5.605 1.00 0.00 O ATOM 1047 CB TYR A 69 6.037 -12.916 4.015 1.00 0.00 C ATOM 1048 CG TYR A 69 5.857 -11.978 2.842 1.00 0.00 C ATOM 1049 CD1 TYR A 69 5.903 -12.462 1.529 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.640 -10.621 3.077 1.00 0.00 C ATOM 1051 CE1 TYR A 69 5.730 -11.578 0.453 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.466 -9.738 2.008 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.513 -10.217 0.694 1.00 0.00 C ATOM 1054 OH TYR A 69 5.342 -9.348 -0.363 1.00 0.00 O ATOM 0 H TYR A 69 3.711 -14.347 2.651 1.00 0.00 H new ATOM 0 HA TYR A 69 4.902 -14.676 4.607 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.404 -12.357 4.876 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.795 -13.661 3.773 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.071 -13.513 1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.606 -10.250 4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.764 -11.948 -0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.296 -8.688 2.196 1.00 0.00 H new ATOM 0 HH TYR A 69 6.040 -8.661 -0.338 1.00 0.00 H new ATOM 1064 N PRO A 70 4.769 -13.216 6.737 1.00 0.00 N ATOM 1065 CA PRO A 70 4.279 -12.699 8.026 1.00 0.00 C ATOM 1066 C PRO A 70 4.554 -11.199 8.150 1.00 0.00 C ATOM 1067 O PRO A 70 4.270 -10.597 9.165 1.00 0.00 O ATOM 1068 CB PRO A 70 5.080 -13.490 9.055 1.00 0.00 C ATOM 1069 CG PRO A 70 6.334 -13.904 8.349 1.00 0.00 C ATOM 1070 CD PRO A 70 6.035 -13.943 6.870 1.00 0.00 C ATOM 0 HA PRO A 70 3.202 -12.814 8.150 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.305 -12.881 9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.521 -14.358 9.405 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.141 -13.201 8.558 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.665 -14.882 8.698 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.828 -13.470 6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.945 -14.968 6.509 1.00 0.00 H new ATOM 1078 N VAL A 71 5.094 -10.574 7.135 1.00 0.00 N ATOM 1079 CA VAL A 71 5.357 -9.110 7.258 1.00 0.00 C ATOM 1080 C VAL A 71 4.090 -8.324 6.899 1.00 0.00 C ATOM 1081 O VAL A 71 3.764 -7.340 7.532 1.00 0.00 O ATOM 1082 CB VAL A 71 6.547 -8.768 6.328 1.00 0.00 C ATOM 1083 CG1 VAL A 71 7.400 -10.016 6.068 1.00 0.00 C ATOM 1084 CG2 VAL A 71 6.055 -8.191 4.991 1.00 0.00 C ATOM 0 H VAL A 71 5.358 -11.001 6.247 1.00 0.00 H new ATOM 0 HA VAL A 71 5.618 -8.834 8.280 1.00 0.00 H new ATOM 0 HB VAL A 71 7.155 -8.015 6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.232 -9.758 5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.787 -10.396 7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.788 -10.783 5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.911 -7.960 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.420 -8.922 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.484 -7.281 5.176 1.00 0.00 H new ATOM 1094 N ALA A 72 3.362 -8.758 5.905 1.00 0.00 N ATOM 1095 CA ALA A 72 2.112 -8.042 5.537 1.00 0.00 C ATOM 1096 C ALA A 72 0.984 -8.546 6.420 1.00 0.00 C ATOM 1097 O ALA A 72 0.270 -7.782 7.040 1.00 0.00 O ATOM 1098 CB ALA A 72 1.843 -8.422 4.089 1.00 0.00 C ATOM 0 H ALA A 72 3.580 -9.575 5.335 1.00 0.00 H new ATOM 0 HA ALA A 72 2.192 -6.962 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.933 -7.930 3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.682 -8.107 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.722 -9.503 4.013 1.00 0.00 H new ATOM 1104 N ASP A 73 0.828 -9.837 6.492 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.243 -10.394 7.347 1.00 0.00 C ATOM 1106 C ASP A 73 -0.175 -9.750 8.730 1.00 0.00 C ATOM 1107 O ASP A 73 -1.138 -9.196 9.223 1.00 0.00 O ATOM 1108 CB ASP A 73 0.065 -11.879 7.438 1.00 0.00 C ATOM 1109 CG ASP A 73 -0.672 -12.629 6.328 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.758 -12.203 5.971 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.136 -13.617 5.851 1.00 0.00 O ATOM 0 H ASP A 73 1.395 -10.525 5.996 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.241 -10.210 6.949 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.139 -12.043 7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.237 -12.264 8.412 1.00 0.00 H new ATOM 1116 N ILE A 74 0.973 -9.802 9.349 1.00 0.00 N ATOM 1117 CA ILE A 74 1.124 -9.174 10.692 1.00 0.00 C ATOM 1118 C ILE A 74 0.688 -7.718 10.591 1.00 0.00 C ATOM 1119 O ILE A 74 -0.094 -7.218 11.379 1.00 0.00 O ATOM 1120 CB ILE A 74 2.616 -9.252 10.996 1.00 0.00 C ATOM 1121 CG1 ILE A 74 2.997 -10.688 11.367 1.00 0.00 C ATOM 1122 CG2 ILE A 74 2.947 -8.323 12.163 1.00 0.00 C ATOM 1123 CD1 ILE A 74 4.479 -10.739 11.742 1.00 0.00 C ATOM 0 H ILE A 74 1.812 -10.252 8.983 1.00 0.00 H new ATOM 0 HA ILE A 74 0.529 -9.660 11.465 1.00 0.00 H new ATOM 0 HB ILE A 74 3.178 -8.947 10.113 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.387 -11.034 12.202 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.799 -11.357 10.529 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.014 -8.378 12.381 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.683 -7.299 11.899 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.381 -8.628 13.043 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.752 -11.760 12.007 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.080 -10.410 10.894 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.662 -10.083 12.593 1.00 0.00 H new ATOM 1135 N LEU A 75 1.181 -7.048 9.592 1.00 0.00 N ATOM 1136 CA LEU A 75 0.809 -5.632 9.374 1.00 0.00 C ATOM 1137 C LEU A 75 -0.715 -5.513 9.301 1.00 0.00 C ATOM 1138 O LEU A 75 -1.276 -4.443 9.428 1.00 0.00 O ATOM 1139 CB LEU A 75 1.452 -5.290 8.031 1.00 0.00 C ATOM 1140 CG LEU A 75 1.484 -3.777 7.840 1.00 0.00 C ATOM 1141 CD1 LEU A 75 2.641 -3.191 8.649 1.00 0.00 C ATOM 1142 CD2 LEU A 75 1.686 -3.465 6.357 1.00 0.00 C ATOM 0 H LEU A 75 1.835 -7.429 8.909 1.00 0.00 H new ATOM 0 HA LEU A 75 1.139 -4.964 10.169 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.464 -5.692 7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.891 -5.756 7.221 1.00 0.00 H new ATOM 0 HG LEU A 75 0.546 -3.340 8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.667 -2.110 8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.501 -3.423 9.705 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.581 -3.622 8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.710 -2.385 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.628 -3.897 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.864 -3.890 5.781 1.00 0.00 H new ATOM 1154 N ALA A 76 -1.389 -6.614 9.090 1.00 0.00 N ATOM 1155 CA ALA A 76 -2.868 -6.580 9.002 1.00 0.00 C ATOM 1156 C ALA A 76 -3.506 -6.871 10.370 1.00 0.00 C ATOM 1157 O ALA A 76 -4.440 -6.210 10.779 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.226 -7.679 8.002 1.00 0.00 C ATOM 0 H ALA A 76 -0.971 -7.537 8.975 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.234 -5.601 8.692 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.308 -7.721 7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.760 -7.462 7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.866 -8.639 8.372 1.00 0.00 H new ATOM 1164 N GLU A 77 -3.021 -7.862 11.077 1.00 0.00 N ATOM 1165 CA GLU A 77 -3.621 -8.194 12.407 1.00 0.00 C ATOM 1166 C GLU A 77 -3.674 -6.951 13.300 1.00 0.00 C ATOM 1167 O GLU A 77 -4.489 -6.856 14.197 1.00 0.00 O ATOM 1168 CB GLU A 77 -2.711 -9.268 13.018 1.00 0.00 C ATOM 1169 CG GLU A 77 -1.352 -8.668 13.389 1.00 0.00 C ATOM 1170 CD GLU A 77 -0.822 -9.362 14.645 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -1.404 -10.360 15.036 1.00 0.00 O ATOM 1172 OE2 GLU A 77 0.156 -8.884 15.196 1.00 0.00 O ATOM 0 H GLU A 77 -2.240 -8.453 10.793 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.646 -8.551 12.308 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.183 -9.692 13.904 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.574 -10.084 12.309 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.649 -8.793 12.566 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.450 -7.597 13.565 1.00 0.00 H new ATOM 1179 N ARG A 78 -2.824 -5.996 13.055 1.00 0.00 N ATOM 1180 CA ARG A 78 -2.838 -4.757 13.881 1.00 0.00 C ATOM 1181 C ARG A 78 -3.296 -3.578 13.021 1.00 0.00 C ATOM 1182 O ARG A 78 -4.065 -2.740 13.449 1.00 0.00 O ATOM 1183 CB ARG A 78 -1.397 -4.555 14.377 1.00 0.00 C ATOM 1184 CG ARG A 78 -0.394 -4.993 13.304 1.00 0.00 C ATOM 1185 CD ARG A 78 1.031 -4.732 13.797 1.00 0.00 C ATOM 1186 NE ARG A 78 1.301 -5.817 14.783 1.00 0.00 N ATOM 1187 CZ ARG A 78 0.908 -5.690 16.022 1.00 0.00 C ATOM 1188 NH1 ARG A 78 0.975 -4.528 16.613 1.00 0.00 N ATOM 1189 NH2 ARG A 78 0.449 -6.726 16.670 1.00 0.00 N ATOM 0 H ARG A 78 -2.119 -6.019 12.318 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.525 -4.832 14.724 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.236 -3.506 14.628 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.236 -5.129 15.290 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.524 -6.052 13.081 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.575 -4.447 12.378 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.745 -4.760 12.974 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.115 -3.748 14.259 1.00 0.00 H new ATOM 0 HE ARG A 78 1.794 -6.660 14.489 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.334 -3.719 16.107 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.668 -4.430 17.581 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.397 -7.634 16.209 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.142 -6.627 17.638 1.00 0.00 H new ATOM 1203 N ASN A 79 -2.849 -3.534 11.798 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.267 -2.448 10.875 1.00 0.00 C ATOM 1205 C ASN A 79 -2.914 -1.058 11.423 1.00 0.00 C ATOM 1206 O ASN A 79 -3.515 -0.571 12.359 1.00 0.00 O ATOM 1207 CB ASN A 79 -4.778 -2.612 10.767 1.00 0.00 C ATOM 1208 CG ASN A 79 -5.160 -2.945 9.325 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -5.655 -2.103 8.604 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -4.972 -4.154 8.878 1.00 0.00 N ATOM 0 H ASN A 79 -2.204 -4.214 11.395 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.758 -2.519 9.914 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.116 -3.404 11.435 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.276 -1.695 11.083 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.241 -4.392 7.923 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.556 -4.862 9.483 1.00 0.00 H new ATOM 1217 N VAL A 80 -1.961 -0.414 10.808 1.00 0.00 N ATOM 1218 CA VAL A 80 -1.559 0.964 11.225 1.00 0.00 C ATOM 1219 C VAL A 80 -2.073 1.928 10.136 1.00 0.00 C ATOM 1220 O VAL A 80 -3.048 1.607 9.492 1.00 0.00 O ATOM 1221 CB VAL A 80 -0.023 0.890 11.292 1.00 0.00 C ATOM 1222 CG1 VAL A 80 0.390 -0.357 12.080 1.00 0.00 C ATOM 1223 CG2 VAL A 80 0.568 0.798 9.878 1.00 0.00 C ATOM 0 H VAL A 80 -1.433 -0.789 10.020 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.959 1.313 12.177 1.00 0.00 H new ATOM 0 HB VAL A 80 0.351 1.789 11.782 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.477 -0.413 12.129 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.017 -0.301 13.090 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.004 -1.246 11.582 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.655 0.746 9.941 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.190 -0.097 9.383 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.279 1.679 9.305 1.00 0.00 H new ATOM 1233 N PRO A 81 -1.424 3.055 9.917 1.00 0.00 N ATOM 1234 CA PRO A 81 -1.884 3.957 8.833 1.00 0.00 C ATOM 1235 C PRO A 81 -1.348 3.414 7.507 1.00 0.00 C ATOM 1236 O PRO A 81 -0.154 3.290 7.328 1.00 0.00 O ATOM 1237 CB PRO A 81 -1.253 5.295 9.176 1.00 0.00 C ATOM 1238 CG PRO A 81 -0.046 4.965 10.001 1.00 0.00 C ATOM 1239 CD PRO A 81 -0.258 3.602 10.621 1.00 0.00 C ATOM 0 HA PRO A 81 -2.967 4.039 8.743 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.976 5.841 8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.947 5.926 9.730 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.850 4.966 9.381 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.102 5.717 10.776 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.618 2.966 10.491 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.441 3.678 11.693 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.215 3.059 6.592 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.736 2.472 5.299 1.00 0.00 C ATOM 1249 C PHE A 82 -2.909 1.991 4.450 1.00 0.00 C ATOM 1250 O PHE A 82 -4.011 2.495 4.521 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.898 1.243 5.702 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.824 0.115 6.118 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -2.796 0.341 7.096 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -1.714 -1.148 5.523 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -3.658 -0.685 7.488 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -2.579 -2.182 5.915 1.00 0.00 C ATOM 1257 CZ PHE A 82 -3.550 -1.950 6.898 1.00 0.00 C ATOM 0 H PHE A 82 -3.227 3.149 6.681 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.180 3.208 4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.273 0.926 4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.228 1.499 6.523 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.881 1.316 7.552 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.966 -1.326 4.765 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.407 -0.503 8.245 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.496 -3.157 5.458 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.214 -2.746 7.200 1.00 0.00 H new ATOM 1267 N ILE A 83 -2.658 0.976 3.677 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.709 0.376 2.831 1.00 0.00 C ATOM 1269 C ILE A 83 -3.161 -0.910 2.243 1.00 0.00 C ATOM 1270 O ILE A 83 -1.960 -1.142 2.253 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.033 1.416 1.764 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.420 1.994 2.043 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.009 0.803 0.355 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -6.419 0.855 2.259 1.00 0.00 C ATOM 0 H ILE A 83 -1.744 0.530 3.598 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.619 0.122 3.375 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.276 2.199 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.387 2.634 2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.740 2.618 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.244 1.572 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.018 0.397 0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.748 0.004 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.407 1.270 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.460 0.233 1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.102 0.250 3.108 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.035 -1.752 1.773 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.596 -3.057 1.231 1.00 0.00 C ATOM 1288 C PHE A 84 -4.616 -3.603 0.214 1.00 0.00 C ATOM 1289 O PHE A 84 -5.724 -3.104 0.076 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.578 -3.908 2.491 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.492 -4.954 2.440 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -1.166 -4.608 2.735 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -2.820 -6.280 2.141 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -0.170 -5.593 2.720 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.825 -7.263 2.132 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.500 -6.919 2.422 1.00 0.00 C ATOM 0 H PHE A 84 -5.041 -1.588 1.742 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.647 -3.025 0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.427 -3.268 3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.546 -4.393 2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.913 -3.585 2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.843 -6.545 1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.854 -5.328 2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.079 -8.287 1.901 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.268 -7.678 2.416 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.259 -4.635 -0.490 1.00 0.00 N ATOM 1307 CA ALA A 85 -5.207 -5.216 -1.475 1.00 0.00 C ATOM 1308 C ALA A 85 -4.636 -6.516 -2.043 1.00 0.00 C ATOM 1309 O ALA A 85 -3.541 -6.543 -2.559 1.00 0.00 O ATOM 1310 CB ALA A 85 -5.353 -4.163 -2.576 1.00 0.00 C ATOM 0 H ALA A 85 -3.354 -5.101 -0.427 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.170 -5.457 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.041 -4.527 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.742 -3.240 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.380 -3.971 -3.027 1.00 0.00 H new ATOM 1316 N THR A 86 -5.361 -7.597 -1.941 1.00 0.00 N ATOM 1317 CA THR A 86 -4.837 -8.894 -2.467 1.00 0.00 C ATOM 1318 C THR A 86 -5.977 -9.734 -3.046 1.00 0.00 C ATOM 1319 O THR A 86 -7.127 -9.345 -3.012 1.00 0.00 O ATOM 1320 CB THR A 86 -4.226 -9.619 -1.253 1.00 0.00 C ATOM 1321 OG1 THR A 86 -5.200 -10.481 -0.684 1.00 0.00 O ATOM 1322 CG2 THR A 86 -3.770 -8.617 -0.187 1.00 0.00 C ATOM 0 H THR A 86 -6.289 -7.640 -1.519 1.00 0.00 H new ATOM 0 HA THR A 86 -4.108 -8.736 -3.261 1.00 0.00 H new ATOM 0 HB THR A 86 -3.361 -10.189 -1.593 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.873 -10.823 0.174 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.343 -9.155 0.659 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.018 -7.952 -0.611 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.625 -8.031 0.150 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.669 -10.901 -3.554 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.740 -11.782 -4.110 1.00 0.00 C ATOM 1332 C GLY A 87 -7.900 -11.874 -3.111 1.00 0.00 C ATOM 1333 O GLY A 87 -9.005 -12.242 -3.462 1.00 0.00 O ATOM 0 H GLY A 87 -4.724 -11.281 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.096 -11.384 -5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.340 -12.776 -4.311 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.658 -11.547 -1.869 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.734 -11.617 -0.846 1.00 0.00 C ATOM 1339 C TYR A 88 -9.608 -10.359 -0.903 1.00 0.00 C ATOM 1340 O TYR A 88 -10.800 -10.431 -1.127 1.00 0.00 O ATOM 1341 CB TYR A 88 -7.983 -11.702 0.485 1.00 0.00 C ATOM 1342 CG TYR A 88 -8.968 -11.698 1.624 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -9.701 -10.543 1.908 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -9.149 -12.850 2.393 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -10.623 -10.539 2.956 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -10.069 -12.847 3.444 1.00 0.00 C ATOM 1347 CZ TYR A 88 -10.806 -11.694 3.728 1.00 0.00 C ATOM 1348 OH TYR A 88 -11.722 -11.704 4.759 1.00 0.00 O ATOM 0 H TYR A 88 -6.753 -11.232 -1.520 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.405 -12.463 -0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.380 -12.609 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.297 -10.860 0.581 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.554 -9.652 1.316 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.579 -13.741 2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.194 -9.648 3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.211 -13.737 4.038 1.00 0.00 H new ATOM 0 HH TYR A 88 -11.721 -12.585 5.189 1.00 0.00 H new ATOM 1358 N GLY A 89 -9.029 -9.205 -0.697 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.838 -7.953 -0.735 1.00 0.00 C ATOM 1360 C GLY A 89 -9.920 -7.344 0.671 1.00 0.00 C ATOM 1361 O GLY A 89 -10.857 -6.643 1.001 1.00 0.00 O ATOM 0 H GLY A 89 -8.036 -9.076 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.388 -7.239 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.840 -8.168 -1.107 1.00 0.00 H new ATOM 1365 N SER A 90 -8.941 -7.604 1.498 1.00 0.00 N ATOM 1366 CA SER A 90 -8.945 -7.044 2.884 1.00 0.00 C ATOM 1367 C SER A 90 -10.026 -7.697 3.745 1.00 0.00 C ATOM 1368 O SER A 90 -11.207 -7.489 3.553 1.00 0.00 O ATOM 1369 CB SER A 90 -9.212 -5.550 2.716 1.00 0.00 C ATOM 1370 OG SER A 90 -8.082 -4.818 3.169 1.00 0.00 O ATOM 0 H SER A 90 -8.133 -8.184 1.272 1.00 0.00 H new ATOM 0 HA SER A 90 -8.000 -7.234 3.393 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.413 -5.320 1.670 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.098 -5.261 3.282 1.00 0.00 H new ATOM 0 HG SER A 90 -7.540 -4.544 2.400 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.616 -8.479 4.707 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.593 -9.145 5.609 1.00 0.00 C ATOM 1378 C LYS A 91 -11.337 -8.088 6.416 1.00 0.00 C ATOM 1379 O LYS A 91 -12.525 -8.179 6.655 1.00 0.00 O ATOM 1380 CB LYS A 91 -9.733 -10.011 6.532 1.00 0.00 C ATOM 1381 CG LYS A 91 -8.783 -9.106 7.323 1.00 0.00 C ATOM 1382 CD LYS A 91 -7.630 -9.931 7.897 1.00 0.00 C ATOM 1383 CE LYS A 91 -6.646 -8.996 8.610 1.00 0.00 C ATOM 1384 NZ LYS A 91 -6.467 -7.849 7.676 1.00 0.00 N ATOM 0 H LYS A 91 -8.637 -8.685 4.906 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.338 -9.732 5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.366 -10.579 7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.164 -10.734 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.392 -8.321 6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.325 -8.613 8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.012 -10.676 8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.122 -10.473 7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.040 -8.666 9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.698 -9.496 8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.719 -7.222 8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.199 -8.205 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.358 -7.318 7.604 1.00 0.00 H new ATOM 1398 N GLY A 92 -10.627 -7.088 6.834 1.00 0.00 N ATOM 1399 CA GLY A 92 -11.239 -5.997 7.629 1.00 0.00 C ATOM 1400 C GLY A 92 -10.122 -5.085 8.120 1.00 0.00 C ATOM 1401 O GLY A 92 -10.178 -4.543 9.206 1.00 0.00 O ATOM 0 H GLY A 92 -9.629 -6.977 6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.949 -5.436 7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.795 -6.406 8.473 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.098 -4.918 7.325 1.00 0.00 N ATOM 1406 CA LEU A 93 -7.973 -4.046 7.741 1.00 0.00 C ATOM 1407 C LEU A 93 -8.519 -2.776 8.389 1.00 0.00 C ATOM 1408 O LEU A 93 -9.388 -2.113 7.862 1.00 0.00 O ATOM 1409 CB LEU A 93 -7.154 -3.756 6.462 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.919 -2.886 5.443 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -9.360 -3.370 5.250 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -7.926 -1.433 5.909 1.00 0.00 C ATOM 0 H LEU A 93 -8.997 -5.350 6.407 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.333 -4.517 8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.226 -3.254 6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.878 -4.700 5.992 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.406 -2.969 4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.864 -2.731 4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.353 -4.397 4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.889 -3.326 6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.467 -0.822 5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.415 -1.365 6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.901 -1.073 5.993 1.00 0.00 H new ATOM 1424 N ASP A 94 -8.028 -2.454 9.552 1.00 0.00 N ATOM 1425 CA ASP A 94 -8.520 -1.244 10.263 1.00 0.00 C ATOM 1426 C ASP A 94 -7.462 -0.145 10.221 1.00 0.00 C ATOM 1427 O ASP A 94 -6.596 -0.068 11.068 1.00 0.00 O ATOM 1428 CB ASP A 94 -8.759 -1.698 11.705 1.00 0.00 C ATOM 1429 CG ASP A 94 -7.525 -2.442 12.220 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -6.641 -1.787 12.747 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -7.484 -3.654 12.078 1.00 0.00 O ATOM 0 H ASP A 94 -7.304 -2.979 10.042 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.424 -0.838 9.809 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.967 -0.836 12.339 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.634 -2.347 11.752 1.00 0.00 H new ATOM 1436 N THR A 95 -7.531 0.709 9.243 1.00 0.00 N ATOM 1437 CA THR A 95 -6.535 1.809 9.144 1.00 0.00 C ATOM 1438 C THR A 95 -7.184 3.126 9.551 1.00 0.00 C ATOM 1439 O THR A 95 -8.372 3.192 9.798 1.00 0.00 O ATOM 1440 CB THR A 95 -6.143 1.849 7.666 1.00 0.00 C ATOM 1441 OG1 THR A 95 -5.344 2.994 7.417 1.00 0.00 O ATOM 1442 CG2 THR A 95 -7.404 1.907 6.804 1.00 0.00 C ATOM 0 H THR A 95 -8.235 0.694 8.506 1.00 0.00 H new ATOM 0 HA THR A 95 -5.673 1.654 9.793 1.00 0.00 H new ATOM 0 HB THR A 95 -5.576 0.952 7.418 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.796 3.574 6.769 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.124 1.936 5.751 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.015 1.024 6.993 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.974 2.803 7.052 1.00 0.00 H new ATOM 1450 N ARG A 96 -6.425 4.181 9.597 1.00 0.00 N ATOM 1451 CA ARG A 96 -7.017 5.493 9.958 1.00 0.00 C ATOM 1452 C ARG A 96 -7.658 6.109 8.714 1.00 0.00 C ATOM 1453 O ARG A 96 -8.047 7.259 8.707 1.00 0.00 O ATOM 1454 CB ARG A 96 -5.842 6.349 10.432 1.00 0.00 C ATOM 1455 CG ARG A 96 -5.267 5.767 11.727 1.00 0.00 C ATOM 1456 CD ARG A 96 -3.970 6.499 12.089 1.00 0.00 C ATOM 1457 NE ARG A 96 -2.999 5.421 12.427 1.00 0.00 N ATOM 1458 CZ ARG A 96 -3.027 4.866 13.608 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -2.626 5.537 14.653 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -3.451 3.640 13.743 1.00 0.00 N ATOM 0 H ARG A 96 -5.424 4.191 9.401 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.786 5.412 10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.070 6.382 9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.171 7.375 10.598 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.991 5.868 12.536 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.073 4.702 11.604 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.613 7.104 11.256 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.120 7.174 12.932 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.313 5.117 11.736 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.291 6.495 14.547 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.648 5.104 15.576 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.761 3.115 12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.473 3.207 14.666 1.00 0.00 H new ATOM 1474 N TYR A 97 -7.754 5.351 7.654 1.00 0.00 N ATOM 1475 CA TYR A 97 -8.350 5.893 6.406 1.00 0.00 C ATOM 1476 C TYR A 97 -9.877 5.787 6.468 1.00 0.00 C ATOM 1477 O TYR A 97 -10.572 6.781 6.547 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.771 5.009 5.301 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.279 5.264 5.157 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.576 6.007 6.124 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -5.595 4.750 4.050 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.202 6.226 5.980 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.218 4.970 3.909 1.00 0.00 C ATOM 1484 CZ TYR A 97 -3.524 5.709 4.873 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.168 5.926 4.734 1.00 0.00 O ATOM 0 H TYR A 97 -7.444 4.380 7.602 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.124 6.947 6.242 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.948 3.959 5.534 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.276 5.215 4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.099 6.409 6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.129 4.182 3.302 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -3.665 6.795 6.725 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.692 4.569 3.055 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.675 5.165 5.106 1.00 0.00 H new ATOM 1495 N SER A 98 -10.400 4.586 6.457 1.00 0.00 N ATOM 1496 CA SER A 98 -11.889 4.403 6.537 1.00 0.00 C ATOM 1497 C SER A 98 -12.315 2.981 6.123 1.00 0.00 C ATOM 1498 O SER A 98 -13.488 2.711 5.964 1.00 0.00 O ATOM 1499 CB SER A 98 -12.489 5.432 5.577 1.00 0.00 C ATOM 1500 OG SER A 98 -12.884 6.583 6.315 1.00 0.00 O ATOM 0 H SER A 98 -9.862 3.721 6.396 1.00 0.00 H new ATOM 0 HA SER A 98 -12.237 4.541 7.561 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.759 5.706 4.815 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.347 5.006 5.057 1.00 0.00 H new ATOM 0 HG SER A 98 -12.116 7.183 6.421 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.393 2.067 5.957 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.784 0.676 5.569 1.00 0.00 C ATOM 1508 C ASN A 99 -12.447 0.666 4.190 1.00 0.00 C ATOM 1509 O ASN A 99 -13.159 -0.253 3.843 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.787 0.235 6.636 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.304 0.681 8.016 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -13.089 0.806 8.936 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -11.036 0.935 8.200 1.00 0.00 N ATOM 0 H ASN A 99 -10.391 2.221 6.072 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.920 0.014 5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.767 0.665 6.427 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.903 -0.849 6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.704 1.238 9.116 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.378 0.830 7.428 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.232 1.686 3.410 1.00 0.00 N ATOM 1521 CA ILE A 100 -12.877 1.723 2.054 1.00 0.00 C ATOM 1522 C ILE A 100 -11.875 1.581 0.877 1.00 0.00 C ATOM 1523 O ILE A 100 -12.259 1.093 -0.169 1.00 0.00 O ATOM 1524 CB ILE A 100 -13.664 3.053 1.933 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -13.191 4.135 2.926 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -15.144 2.773 2.196 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -12.143 5.034 2.263 1.00 0.00 C ATOM 0 H ILE A 100 -11.647 2.489 3.641 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.537 0.859 1.977 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.491 3.436 0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.040 4.734 3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.769 3.665 3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.710 3.701 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.514 2.056 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.264 2.362 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.815 5.795 2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -11.288 4.431 1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.579 5.517 1.388 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.642 2.011 1.041 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.660 1.911 -0.069 1.00 0.00 C ATOM 1541 C PRO A 101 -8.932 0.559 -0.077 1.00 0.00 C ATOM 1542 O PRO A 101 -7.735 0.496 0.105 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.683 3.040 0.240 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.789 3.297 1.714 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.036 2.618 2.226 1.00 0.00 C ATOM 0 HA PRO A 101 -10.131 1.986 -1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.666 2.760 -0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.931 3.936 -0.330 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.909 2.914 2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.832 4.368 1.910 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.797 1.866 2.978 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.712 3.333 2.694 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.627 -0.523 -0.300 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.932 -1.846 -0.319 1.00 0.00 C ATOM 1555 C LEU A 102 -9.427 -2.708 -1.481 1.00 0.00 C ATOM 1556 O LEU A 102 -10.513 -2.512 -1.987 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.289 -2.491 1.020 1.00 0.00 C ATOM 1558 CG LEU A 102 -10.799 -2.366 1.258 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -11.348 -3.683 1.806 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -11.067 -1.249 2.269 1.00 0.00 C ATOM 0 H LEU A 102 -10.633 -0.552 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.856 -1.740 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.995 -3.541 1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.741 -2.006 1.828 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.291 -2.133 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.421 -3.588 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.162 -4.482 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.853 -3.919 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.140 -1.161 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.570 -1.483 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.682 -0.306 1.880 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.639 -3.663 -1.915 1.00 0.00 N ATOM 1573 CA LEU A 103 -9.102 -4.518 -3.056 1.00 0.00 C ATOM 1574 C LEU A 103 -8.093 -5.621 -3.399 1.00 0.00 C ATOM 1575 O LEU A 103 -7.317 -6.048 -2.577 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.234 -3.551 -4.225 1.00 0.00 C ATOM 1577 CG LEU A 103 -10.651 -3.619 -4.786 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -10.747 -2.702 -5.996 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -10.968 -5.053 -5.215 1.00 0.00 C ATOM 0 H LEU A 103 -7.717 -3.885 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.032 -5.032 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.010 -2.536 -3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.512 -3.802 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.362 -3.306 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.757 -2.743 -6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.518 -1.679 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.035 -3.025 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.981 -5.098 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.261 -5.368 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.889 -5.716 -4.354 1.00 0.00 H new ATOM 1591 N THR A 104 -8.116 -6.094 -4.619 1.00 0.00 N ATOM 1592 CA THR A 104 -7.173 -7.166 -5.030 1.00 0.00 C ATOM 1593 C THR A 104 -6.317 -6.712 -6.208 1.00 0.00 C ATOM 1594 O THR A 104 -5.768 -7.521 -6.930 1.00 0.00 O ATOM 1595 CB THR A 104 -8.054 -8.346 -5.439 1.00 0.00 C ATOM 1596 OG1 THR A 104 -7.227 -9.463 -5.721 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.858 -7.986 -6.687 1.00 0.00 C ATOM 0 H THR A 104 -8.754 -5.778 -5.350 1.00 0.00 H new ATOM 0 HA THR A 104 -6.487 -7.427 -4.224 1.00 0.00 H new ATOM 0 HB THR A 104 -8.741 -8.585 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.516 -9.195 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.484 -8.831 -6.973 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.489 -7.122 -6.477 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.176 -7.747 -7.503 1.00 0.00 H new ATOM 1605 N LYS A 105 -6.197 -5.435 -6.424 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.374 -4.978 -7.571 1.00 0.00 C ATOM 1607 C LYS A 105 -5.916 -5.612 -8.877 1.00 0.00 C ATOM 1608 O LYS A 105 -5.174 -6.020 -9.744 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.958 -5.446 -7.176 1.00 0.00 C ATOM 1610 CG LYS A 105 -3.101 -5.799 -8.390 1.00 0.00 C ATOM 1611 CD LYS A 105 -3.255 -7.296 -8.674 1.00 0.00 C ATOM 1612 CE LYS A 105 -2.734 -7.619 -10.077 1.00 0.00 C ATOM 1613 NZ LYS A 105 -2.394 -9.070 -10.032 1.00 0.00 N ATOM 0 H LYS A 105 -6.626 -4.698 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.388 -3.906 -7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.465 -4.660 -6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.035 -6.316 -6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.412 -5.215 -9.256 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.056 -5.555 -8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.705 -7.874 -7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.303 -7.584 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.488 -7.413 -10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.860 -7.015 -10.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.029 -9.370 -10.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.669 -9.234 -9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.247 -9.619 -9.802 1.00 0.00 H new ATOM 1627 N PRO A 106 -7.225 -5.650 -8.990 1.00 0.00 N ATOM 1628 CA PRO A 106 -7.853 -6.212 -10.209 1.00 0.00 C ATOM 1629 C PRO A 106 -7.648 -5.243 -11.376 1.00 0.00 C ATOM 1630 O PRO A 106 -7.971 -5.537 -12.510 1.00 0.00 O ATOM 1631 CB PRO A 106 -9.331 -6.319 -9.838 1.00 0.00 C ATOM 1632 CG PRO A 106 -9.533 -5.298 -8.765 1.00 0.00 C ATOM 1633 CD PRO A 106 -8.229 -5.183 -8.023 1.00 0.00 C ATOM 0 HA PRO A 106 -7.436 -7.171 -10.517 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.970 -6.120 -10.698 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.578 -7.320 -9.483 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.820 -4.338 -9.194 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -10.336 -5.599 -8.092 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.036 -4.156 -7.712 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -8.228 -5.794 -7.121 1.00 0.00 H new ATOM 1641 N PHE A 107 -7.115 -4.083 -11.091 1.00 0.00 N ATOM 1642 CA PHE A 107 -6.878 -3.068 -12.158 1.00 0.00 C ATOM 1643 C PHE A 107 -8.201 -2.662 -12.801 1.00 0.00 C ATOM 1644 O PHE A 107 -8.680 -3.268 -13.739 1.00 0.00 O ATOM 1645 CB PHE A 107 -5.925 -3.732 -13.149 1.00 0.00 C ATOM 1646 CG PHE A 107 -4.527 -3.612 -12.587 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.961 -2.345 -12.405 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -3.811 -4.758 -12.218 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -2.679 -2.220 -11.859 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -2.528 -4.633 -11.668 1.00 0.00 C ATOM 1651 CZ PHE A 107 -1.961 -3.362 -11.490 1.00 0.00 C ATOM 0 H PHE A 107 -6.831 -3.794 -10.155 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.442 -2.146 -11.773 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.191 -4.779 -13.294 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.989 -3.249 -14.124 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.515 -1.462 -12.687 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -4.247 -5.736 -12.357 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.244 -1.241 -11.722 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.975 -5.515 -11.381 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.971 -3.266 -11.069 1.00 0.00 H new ATOM 1661 N LEU A 108 -8.789 -1.631 -12.263 1.00 0.00 N ATOM 1662 CA LEU A 108 -10.094 -1.123 -12.763 1.00 0.00 C ATOM 1663 C LEU A 108 -10.620 -0.115 -11.734 1.00 0.00 C ATOM 1664 O LEU A 108 -11.248 0.872 -12.062 1.00 0.00 O ATOM 1665 CB LEU A 108 -10.988 -2.369 -12.870 1.00 0.00 C ATOM 1666 CG LEU A 108 -12.473 -1.989 -12.864 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -12.922 -1.680 -11.434 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -12.713 -0.769 -13.764 1.00 0.00 C ATOM 0 H LEU A 108 -8.408 -1.106 -11.476 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.046 -0.615 -13.726 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.752 -2.911 -13.786 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.779 -3.042 -12.039 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.054 -2.827 -13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.978 -1.410 -11.434 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.772 -2.559 -10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.336 -0.850 -11.040 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.772 -0.510 -13.751 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.128 0.074 -13.397 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.410 -1.004 -14.784 1.00 0.00 H new ATOM 1680 N ASP A 109 -10.336 -0.367 -10.484 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.774 0.556 -9.390 1.00 0.00 C ATOM 1682 C ASP A 109 -9.889 0.362 -8.141 1.00 0.00 C ATOM 1683 O ASP A 109 -10.212 0.820 -7.066 1.00 0.00 O ATOM 1684 CB ASP A 109 -12.223 0.168 -9.092 1.00 0.00 C ATOM 1685 CG ASP A 109 -12.781 1.072 -7.991 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -12.634 0.721 -6.832 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -13.350 2.098 -8.326 1.00 0.00 O ATOM 0 H ASP A 109 -9.812 -1.183 -10.168 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.688 1.604 -9.678 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.828 0.261 -9.994 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.274 -0.875 -8.780 1.00 0.00 H new ATOM 1692 N SER A 110 -8.797 -0.350 -8.271 1.00 0.00 N ATOM 1693 CA SER A 110 -7.913 -0.623 -7.098 1.00 0.00 C ATOM 1694 C SER A 110 -7.111 0.615 -6.655 1.00 0.00 C ATOM 1695 O SER A 110 -7.657 1.544 -6.093 1.00 0.00 O ATOM 1696 CB SER A 110 -6.983 -1.713 -7.608 1.00 0.00 C ATOM 1697 OG SER A 110 -6.234 -2.249 -6.526 1.00 0.00 O ATOM 0 H SER A 110 -8.478 -0.758 -9.150 1.00 0.00 H new ATOM 0 HA SER A 110 -8.486 -0.909 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.561 -2.502 -8.089 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.310 -1.306 -8.363 1.00 0.00 H new ATOM 0 HG SER A 110 -6.846 -2.628 -5.861 1.00 0.00 H new ATOM 1703 N GLU A 111 -5.812 0.614 -6.877 1.00 0.00 N ATOM 1704 CA GLU A 111 -4.958 1.761 -6.446 1.00 0.00 C ATOM 1705 C GLU A 111 -5.699 3.091 -6.583 1.00 0.00 C ATOM 1706 O GLU A 111 -5.718 3.894 -5.671 1.00 0.00 O ATOM 1707 CB GLU A 111 -3.748 1.722 -7.382 1.00 0.00 C ATOM 1708 CG GLU A 111 -2.633 2.595 -6.806 1.00 0.00 C ATOM 1709 CD GLU A 111 -1.440 1.717 -6.425 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -1.666 0.598 -5.995 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -0.321 2.180 -6.569 1.00 0.00 O ATOM 0 H GLU A 111 -5.309 -0.141 -7.343 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.676 1.680 -5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.398 0.696 -7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.029 2.079 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.328 3.343 -7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.995 3.134 -5.931 1.00 0.00 H new ATOM 1718 N LEU A 112 -6.308 3.338 -7.705 1.00 0.00 N ATOM 1719 CA LEU A 112 -7.034 4.625 -7.870 1.00 0.00 C ATOM 1720 C LEU A 112 -7.962 4.857 -6.673 1.00 0.00 C ATOM 1721 O LEU A 112 -7.934 5.901 -6.054 1.00 0.00 O ATOM 1722 CB LEU A 112 -7.824 4.481 -9.170 1.00 0.00 C ATOM 1723 CG LEU A 112 -8.659 3.201 -9.136 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -10.073 3.529 -8.654 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -8.727 2.602 -10.543 1.00 0.00 C ATOM 0 H LEU A 112 -6.335 2.711 -8.509 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.362 5.482 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.474 5.345 -9.308 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.141 4.457 -10.019 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.200 2.484 -8.456 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.670 2.617 -8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.026 3.959 -7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.533 4.245 -9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.322 1.689 -10.521 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.188 3.319 -11.222 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.720 2.370 -10.889 1.00 0.00 H new ATOM 1737 N GLU A 113 -8.766 3.888 -6.322 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.664 4.067 -5.149 1.00 0.00 C ATOM 1739 C GLU A 113 -8.843 4.568 -3.968 1.00 0.00 C ATOM 1740 O GLU A 113 -9.067 5.639 -3.444 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.226 2.674 -4.861 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.192 2.756 -3.683 1.00 0.00 C ATOM 1743 CD GLU A 113 -11.861 1.397 -3.467 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -11.174 0.396 -3.581 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.049 1.382 -3.189 1.00 0.00 O ATOM 0 H GLU A 113 -8.838 2.987 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.461 4.789 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.739 2.287 -5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -9.415 1.982 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -10.657 3.056 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.948 3.518 -3.873 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.884 3.795 -3.559 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.023 4.198 -2.419 1.00 0.00 C ATOM 1754 C ALA A 114 -6.641 5.680 -2.517 1.00 0.00 C ATOM 1755 O ALA A 114 -6.412 6.334 -1.519 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.790 3.301 -2.553 1.00 0.00 C ATOM 0 H ALA A 114 -7.656 2.890 -3.970 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.520 4.084 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.088 3.525 -1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.092 2.256 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.310 3.483 -3.515 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.576 6.219 -3.702 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.218 7.662 -3.839 1.00 0.00 C ATOM 1764 C VAL A 115 -7.469 8.477 -4.181 1.00 0.00 C ATOM 1765 O VAL A 115 -7.487 9.686 -4.066 1.00 0.00 O ATOM 1766 CB VAL A 115 -5.203 7.726 -4.983 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -4.437 9.048 -4.909 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -4.218 6.561 -4.861 1.00 0.00 C ATOM 0 H VAL A 115 -6.754 5.728 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.806 8.074 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.727 7.659 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.714 9.095 -5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.137 9.879 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.914 9.113 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.496 6.608 -5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.694 6.626 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.762 5.618 -4.912 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.518 7.820 -4.598 1.00 0.00 N ATOM 1779 CA LEU A 116 -9.772 8.548 -4.948 1.00 0.00 C ATOM 1780 C LEU A 116 -10.695 8.626 -3.725 1.00 0.00 C ATOM 1781 O LEU A 116 -11.318 9.637 -3.466 1.00 0.00 O ATOM 1782 CB LEU A 116 -10.420 7.701 -6.044 1.00 0.00 C ATOM 1783 CG LEU A 116 -10.459 8.489 -7.354 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -9.357 7.982 -8.286 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -11.820 8.292 -8.026 1.00 0.00 C ATOM 0 H LEU A 116 -8.560 6.807 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 116 -9.581 9.571 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.859 6.777 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.431 7.419 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.303 9.548 -7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.384 8.543 -9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.386 8.118 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.515 6.924 -8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.849 8.853 -8.960 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.973 7.233 -8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.608 8.649 -7.363 1.00 0.00 H new ATOM 1797 N VAL A 117 -10.791 7.557 -2.984 1.00 0.00 N ATOM 1798 CA VAL A 117 -11.679 7.545 -1.783 1.00 0.00 C ATOM 1799 C VAL A 117 -11.126 8.446 -0.678 1.00 0.00 C ATOM 1800 O VAL A 117 -11.757 8.643 0.341 1.00 0.00 O ATOM 1801 CB VAL A 117 -11.674 6.093 -1.314 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -12.406 5.224 -2.332 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -10.234 5.615 -1.177 1.00 0.00 C ATOM 0 H VAL A 117 -10.291 6.685 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.677 7.914 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.177 6.019 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.401 4.187 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.435 5.569 -2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.905 5.294 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.225 4.578 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -9.733 5.689 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.712 6.236 -0.449 1.00 0.00 H new ATOM 1813 N GLN A 118 -9.950 8.977 -0.854 1.00 0.00 N ATOM 1814 CA GLN A 118 -9.369 9.843 0.210 1.00 0.00 C ATOM 1815 C GLN A 118 -9.521 11.322 -0.144 1.00 0.00 C ATOM 1816 O GLN A 118 -10.029 12.104 0.635 1.00 0.00 O ATOM 1817 CB GLN A 118 -7.892 9.456 0.266 1.00 0.00 C ATOM 1818 CG GLN A 118 -7.617 8.684 1.558 1.00 0.00 C ATOM 1819 CD GLN A 118 -6.686 7.507 1.262 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -6.843 6.439 1.819 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -5.713 7.659 0.405 1.00 0.00 N ATOM 0 H GLN A 118 -9.368 8.851 -1.682 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.871 9.703 1.167 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -7.632 8.845 -0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.269 10.349 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -7.163 9.343 2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.553 8.323 1.984 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -5.581 8.556 -0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.085 6.881 0.203 1.00 0.00 H new