USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 653 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 39 GLN : amide:sc= 0.0276 K(o=0.14,f=-2.1!) USER MOD Set 1.2: A 59 TYR OH : rot -90:sc= 0.108 USER MOD Single : A 14 SER OG : rot 180:sc= -1.08 USER MOD Single : A 20 HIS : no HD1:sc=-0.00253 X(o=-0.0025,f=-0.00058) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.911! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 36 THR OG1 : rot 100:sc= -0.463 USER MOD Single : A 41 HIS : no HD1:sc= -0.0418 X(o=-0.042,f=-0.0083) USER MOD Single : A 46 HIS :FLIP no HE2:sc= 0.0603 F(o=-0.95,f=0.06) USER MOD Single : A 47 CYS SG : rot -95:sc= -0.245 USER MOD Single : A 48 SER OG : rot 83:sc= 1.11 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -3:sc= 0.6 USER MOD Single : A 64 GLN : amide:sc= -0.311 K(o=-0.31,f=-2.3!) USER MOD Single : A 68 CYS SG : rot 11:sc= -1.38 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -127:sc= 0.665 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 153:sc= -0.135 (180deg=-1.99!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -140:sc= -2.24! (180deg=-4.14!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 12 0.146 14.700 -12.335 1.00 0.00 N ATOM 121 CA ARG A 12 -0.735 13.922 -13.188 1.00 0.00 C ATOM 122 C ARG A 12 -0.804 12.473 -12.700 1.00 0.00 C ATOM 123 O ARG A 12 0.084 12.013 -11.984 1.00 0.00 O ATOM 124 CB ARG A 12 -0.253 13.940 -14.640 1.00 0.00 C ATOM 125 CG ARG A 12 -1.354 14.442 -15.577 1.00 0.00 C ATOM 126 CD ARG A 12 -1.661 13.410 -16.664 1.00 0.00 C ATOM 127 NE ARG A 12 -0.852 13.689 -17.871 1.00 0.00 N ATOM 128 CZ ARG A 12 -0.860 12.928 -18.974 1.00 0.00 C ATOM 129 NH1 ARG A 12 -1.635 11.836 -19.029 1.00 0.00 N ATOM 130 NH2 ARG A 12 -0.093 13.259 -20.022 1.00 0.00 N ATOM 0 HA ARG A 12 -1.726 14.373 -13.140 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.624 14.581 -14.728 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.054 12.937 -14.938 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.257 14.651 -15.004 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.045 15.380 -16.038 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.445 12.407 -16.296 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.722 13.437 -16.913 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.250 14.513 -17.863 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.219 11.584 -18.231 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.641 11.257 -19.869 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.497 14.090 -19.980 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.099 12.680 -20.862 1.00 0.00 H new ATOM 144 N TRP A 13 -1.867 11.795 -13.107 1.00 0.00 N ATOM 145 CA TRP A 13 -2.064 10.409 -12.720 1.00 0.00 C ATOM 146 C TRP A 13 -2.477 9.624 -13.966 1.00 0.00 C ATOM 147 O TRP A 13 -3.303 10.088 -14.751 1.00 0.00 O ATOM 148 CB TRP A 13 -3.078 10.297 -11.580 1.00 0.00 C ATOM 149 CG TRP A 13 -2.662 11.029 -10.302 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.521 12.349 -10.117 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.337 10.426 -9.032 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.130 12.639 -8.825 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.015 11.433 -8.145 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.315 9.074 -8.646 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.648 11.194 -6.815 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.946 8.852 -7.314 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.619 9.855 -6.408 1.00 0.00 C ATOM 0 H TRP A 13 -2.601 12.180 -13.701 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.140 9.983 -12.330 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.035 10.694 -11.919 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.234 9.243 -11.348 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.692 13.092 -10.882 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.957 13.568 -8.440 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.563 8.270 -9.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.401 12.000 -6.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.913 7.830 -6.966 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.344 9.602 -5.395 1.00 0.00 H new ATOM 168 N SER A 14 -1.884 8.448 -14.110 1.00 0.00 N ATOM 169 CA SER A 14 -2.179 7.594 -15.248 1.00 0.00 C ATOM 170 C SER A 14 -3.552 6.941 -15.069 1.00 0.00 C ATOM 171 O SER A 14 -4.221 7.161 -14.061 1.00 0.00 O ATOM 172 CB SER A 14 -1.102 6.523 -15.428 1.00 0.00 C ATOM 173 OG SER A 14 -0.530 6.555 -16.733 1.00 0.00 O ATOM 0 H SER A 14 -1.200 8.066 -13.457 1.00 0.00 H new ATOM 0 HA SER A 14 -2.191 8.212 -16.146 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.318 6.669 -14.685 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.535 5.539 -15.246 1.00 0.00 H new ATOM 0 HG SER A 14 0.154 5.857 -16.807 1.00 0.00 H new ATOM 179 N PRO A 15 -3.940 6.131 -16.090 1.00 0.00 N ATOM 180 CA PRO A 15 -5.220 5.445 -16.056 1.00 0.00 C ATOM 181 C PRO A 15 -5.183 4.262 -15.086 1.00 0.00 C ATOM 182 O PRO A 15 -4.136 3.645 -14.895 1.00 0.00 O ATOM 183 CB PRO A 15 -5.481 5.026 -17.494 1.00 0.00 C ATOM 184 CG PRO A 15 -4.133 5.080 -18.194 1.00 0.00 C ATOM 185 CD PRO A 15 -3.173 5.848 -17.300 1.00 0.00 C ATOM 0 HA PRO A 15 -6.027 6.079 -15.687 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.904 4.022 -17.538 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.197 5.695 -17.972 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.759 4.073 -18.380 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.226 5.569 -19.164 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.283 5.259 -17.076 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.835 6.767 -17.779 1.00 0.00 H new ATOM 193 N PRO A 16 -6.368 3.975 -14.484 1.00 0.00 N ATOM 194 CA PRO A 16 -6.480 2.877 -13.538 1.00 0.00 C ATOM 195 C PRO A 16 -6.481 1.529 -14.261 1.00 0.00 C ATOM 196 O PRO A 16 -7.239 1.330 -15.209 1.00 0.00 O ATOM 197 CB PRO A 16 -7.768 3.144 -12.777 1.00 0.00 C ATOM 198 CG PRO A 16 -8.564 4.117 -13.632 1.00 0.00 C ATOM 199 CD PRO A 16 -7.627 4.685 -14.686 1.00 0.00 C ATOM 0 HA PRO A 16 -5.633 2.822 -12.854 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.324 2.221 -12.615 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.560 3.567 -11.794 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.406 3.610 -14.103 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.976 4.917 -13.017 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.016 4.522 -15.691 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.499 5.761 -14.564 1.00 0.00 H new ATOM 207 N ARG A 17 -5.623 0.638 -13.786 1.00 0.00 N ATOM 208 CA ARG A 17 -5.516 -0.686 -14.375 1.00 0.00 C ATOM 209 C ARG A 17 -6.442 -1.665 -13.652 1.00 0.00 C ATOM 210 O ARG A 17 -6.732 -1.493 -12.469 1.00 0.00 O ATOM 211 CB ARG A 17 -4.078 -1.205 -14.303 1.00 0.00 C ATOM 212 CG ARG A 17 -3.577 -1.233 -12.857 1.00 0.00 C ATOM 213 CD ARG A 17 -2.256 -1.997 -12.750 1.00 0.00 C ATOM 214 NE ARG A 17 -1.145 -1.161 -13.256 1.00 0.00 N ATOM 215 CZ ARG A 17 0.083 -1.626 -13.525 1.00 0.00 C ATOM 216 NH1 ARG A 17 0.364 -2.922 -13.336 1.00 0.00 N ATOM 217 NH2 ARG A 17 1.029 -0.794 -13.982 1.00 0.00 N ATOM 0 H ARG A 17 -4.995 0.807 -13.000 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.811 -0.609 -15.422 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.028 -2.207 -14.729 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.428 -0.570 -14.905 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.442 -0.214 -12.495 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.325 -1.702 -12.218 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.070 -2.274 -11.712 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.315 -2.923 -13.322 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.325 -0.169 -13.410 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.356 -3.554 -12.988 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.298 -3.276 -13.541 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.814 0.193 -14.125 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.964 -1.148 -14.187 1.00 0.00 H new ATOM 231 N GLY A 18 -6.881 -2.672 -14.394 1.00 0.00 N ATOM 232 CA GLY A 18 -7.768 -3.679 -13.838 1.00 0.00 C ATOM 233 C GLY A 18 -6.986 -4.920 -13.403 1.00 0.00 C ATOM 234 O GLY A 18 -6.532 -5.698 -14.242 1.00 0.00 O ATOM 0 H GLY A 18 -6.639 -2.811 -15.375 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.304 -3.265 -12.984 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.517 -3.958 -14.579 1.00 0.00 H new ATOM 238 N ILE A 19 -6.851 -5.067 -12.094 1.00 0.00 N ATOM 239 CA ILE A 19 -6.131 -6.200 -11.538 1.00 0.00 C ATOM 240 C ILE A 19 -7.128 -7.301 -11.167 1.00 0.00 C ATOM 241 O ILE A 19 -8.283 -7.017 -10.854 1.00 0.00 O ATOM 242 CB ILE A 19 -5.247 -5.754 -10.372 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.495 -4.467 -10.716 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.298 -6.875 -9.942 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.478 -4.118 -9.627 1.00 0.00 C ATOM 0 H ILE A 19 -7.228 -4.420 -11.401 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.452 -6.620 -12.280 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.891 -5.534 -9.520 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.984 -4.585 -11.672 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.204 -3.647 -10.832 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.681 -6.531 -9.112 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.878 -7.743 -9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.658 -7.151 -10.780 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.957 -3.199 -9.896 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.995 -3.977 -8.678 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.756 -4.929 -9.530 1.00 0.00 H new ATOM 257 N HIS A 20 -6.645 -8.533 -11.215 1.00 0.00 N ATOM 258 CA HIS A 20 -7.479 -9.677 -10.889 1.00 0.00 C ATOM 259 C HIS A 20 -6.680 -10.670 -10.041 1.00 0.00 C ATOM 260 O HIS A 20 -5.753 -11.309 -10.537 1.00 0.00 O ATOM 261 CB HIS A 20 -8.054 -10.310 -12.158 1.00 0.00 C ATOM 262 CG HIS A 20 -7.135 -10.233 -13.353 1.00 0.00 C ATOM 263 ND1 HIS A 20 -7.435 -9.492 -14.483 1.00 0.00 N ATOM 264 CD2 HIS A 20 -5.922 -10.812 -13.583 1.00 0.00 C ATOM 265 CE1 HIS A 20 -6.440 -9.626 -15.347 1.00 0.00 C ATOM 266 NE2 HIS A 20 -5.503 -10.445 -14.788 1.00 0.00 N ATOM 0 H HIS A 20 -5.686 -8.764 -11.475 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.334 -9.351 -10.296 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.285 -11.356 -11.957 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.995 -9.817 -12.404 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.392 -11.460 -12.900 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.381 -9.167 -16.323 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.625 -10.729 -15.224 1.00 0.00 H new ATOM 274 N PHE A 21 -7.069 -10.767 -8.779 1.00 0.00 N ATOM 275 CA PHE A 21 -6.401 -11.671 -7.858 1.00 0.00 C ATOM 276 C PHE A 21 -7.318 -12.040 -6.690 1.00 0.00 C ATOM 277 O PHE A 21 -8.438 -11.542 -6.594 1.00 0.00 O ATOM 278 CB PHE A 21 -5.176 -10.931 -7.314 1.00 0.00 C ATOM 279 CG PHE A 21 -5.516 -9.753 -6.400 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.889 -8.560 -6.937 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.446 -9.898 -5.049 1.00 0.00 C ATOM 282 CE1 PHE A 21 -6.205 -7.466 -6.088 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.762 -8.804 -4.200 1.00 0.00 C ATOM 284 CZ PHE A 21 -6.134 -7.612 -4.737 1.00 0.00 C ATOM 0 H PHE A 21 -7.838 -10.235 -8.372 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.125 -12.591 -8.374 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.553 -11.636 -6.764 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.582 -10.567 -8.152 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.945 -8.445 -8.009 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.150 -10.845 -4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.501 -6.519 -6.514 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.707 -8.919 -3.128 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.373 -6.780 -4.091 1.00 0.00 H new ATOM 294 N THR A 22 -6.808 -12.912 -5.832 1.00 0.00 N ATOM 295 CA THR A 22 -7.567 -13.354 -4.675 1.00 0.00 C ATOM 296 C THR A 22 -6.848 -12.961 -3.383 1.00 0.00 C ATOM 297 O THR A 22 -5.808 -13.527 -3.050 1.00 0.00 O ATOM 298 CB THR A 22 -7.797 -14.861 -4.808 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.940 -14.965 -5.651 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.244 -15.503 -3.493 1.00 0.00 C ATOM 0 H THR A 22 -5.879 -13.324 -5.915 1.00 0.00 H new ATOM 0 HA THR A 22 -8.540 -12.865 -4.630 1.00 0.00 H new ATOM 0 HB THR A 22 -6.880 -15.339 -5.152 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.158 -15.910 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.393 -16.572 -3.642 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.479 -15.346 -2.733 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.179 -15.048 -3.166 1.00 0.00 H new ATOM 308 N VAL A 23 -7.431 -11.994 -2.690 1.00 0.00 N ATOM 309 CA VAL A 23 -6.859 -11.518 -1.441 1.00 0.00 C ATOM 310 C VAL A 23 -6.390 -12.715 -0.612 1.00 0.00 C ATOM 311 O VAL A 23 -6.774 -13.852 -0.883 1.00 0.00 O ATOM 312 CB VAL A 23 -7.870 -10.638 -0.704 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.434 -10.397 0.743 1.00 0.00 C ATOM 314 CG2 VAL A 23 -8.086 -9.315 -1.440 1.00 0.00 C ATOM 0 H VAL A 23 -8.294 -11.527 -2.969 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.986 -10.894 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.823 -11.168 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.170 -9.769 1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.357 -11.352 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.465 -9.899 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.809 -8.709 -0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.140 -8.778 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.463 -9.514 -2.443 1.00 0.00 H new ATOM 324 N GLU A 24 -5.567 -12.418 0.383 1.00 0.00 N ATOM 325 CA GLU A 24 -5.041 -13.456 1.255 1.00 0.00 C ATOM 326 C GLU A 24 -5.154 -13.026 2.719 1.00 0.00 C ATOM 327 O GLU A 24 -4.371 -12.204 3.190 1.00 0.00 O ATOM 328 CB GLU A 24 -3.594 -13.795 0.892 1.00 0.00 C ATOM 329 CG GLU A 24 -3.538 -14.805 -0.255 1.00 0.00 C ATOM 330 CD GLU A 24 -2.635 -15.988 0.099 1.00 0.00 C ATOM 331 OE1 GLU A 24 -2.961 -16.675 1.092 1.00 0.00 O ATOM 332 OE2 GLU A 24 -1.638 -16.179 -0.630 1.00 0.00 O ATOM 0 H GLU A 24 -5.251 -11.474 0.605 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.636 -14.358 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.065 -12.886 0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.082 -14.202 1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.543 -15.164 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.167 -14.317 -1.156 1.00 0.00 H new ATOM 339 N GLU A 25 -6.135 -13.603 3.397 1.00 0.00 N ATOM 340 CA GLU A 25 -6.360 -13.291 4.798 1.00 0.00 C ATOM 341 C GLU A 25 -5.386 -14.073 5.680 1.00 0.00 C ATOM 342 O GLU A 25 -5.800 -14.753 6.618 1.00 0.00 O ATOM 343 CB GLU A 25 -7.810 -13.574 5.197 1.00 0.00 C ATOM 344 CG GLU A 25 -8.585 -12.273 5.409 1.00 0.00 C ATOM 345 CD GLU A 25 -9.586 -12.411 6.558 1.00 0.00 C ATOM 346 OE1 GLU A 25 -10.543 -13.197 6.386 1.00 0.00 O ATOM 347 OE2 GLU A 25 -9.372 -11.728 7.582 1.00 0.00 O ATOM 0 H GLU A 25 -6.783 -14.285 3.002 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.178 -12.227 4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.295 -14.168 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.830 -14.166 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.889 -11.462 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.112 -12.006 4.493 1.00 0.00 H new ATOM 354 N GLY A 26 -4.109 -13.951 5.349 1.00 0.00 N ATOM 355 CA GLY A 26 -3.072 -14.639 6.099 1.00 0.00 C ATOM 356 C GLY A 26 -1.683 -14.122 5.716 1.00 0.00 C ATOM 357 O GLY A 26 -0.827 -13.935 6.578 1.00 0.00 O ATOM 0 H GLY A 26 -3.769 -13.386 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.235 -14.496 7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.130 -15.711 5.908 1.00 0.00 H new ATOM 361 N ASP A 27 -1.504 -13.907 4.421 1.00 0.00 N ATOM 362 CA ASP A 27 -0.235 -13.415 3.913 1.00 0.00 C ATOM 363 C ASP A 27 -0.476 -12.630 2.622 1.00 0.00 C ATOM 364 O ASP A 27 -0.520 -13.210 1.538 1.00 0.00 O ATOM 365 CB ASP A 27 0.715 -14.571 3.593 1.00 0.00 C ATOM 366 CG ASP A 27 1.194 -15.369 4.807 1.00 0.00 C ATOM 367 OD1 ASP A 27 1.716 -14.723 5.741 1.00 0.00 O ATOM 368 OD2 ASP A 27 1.028 -16.608 4.773 1.00 0.00 O ATOM 0 H ASP A 27 -2.217 -14.065 3.708 1.00 0.00 H new ATOM 0 HA ASP A 27 0.212 -12.782 4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.216 -15.252 2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.586 -14.172 3.072 1.00 0.00 H new ATOM 373 N LEU A 28 -0.627 -11.324 2.781 1.00 0.00 N ATOM 374 CA LEU A 28 -0.864 -10.454 1.641 1.00 0.00 C ATOM 375 C LEU A 28 0.421 -10.338 0.819 1.00 0.00 C ATOM 376 O LEU A 28 0.371 -10.240 -0.407 1.00 0.00 O ATOM 377 CB LEU A 28 -1.422 -9.106 2.103 1.00 0.00 C ATOM 378 CG LEU A 28 -2.867 -9.115 2.605 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.256 -7.753 3.182 1.00 0.00 C ATOM 380 CD2 LEU A 28 -3.828 -9.565 1.502 1.00 0.00 C ATOM 0 H LEU A 28 -0.590 -10.847 3.682 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.625 -10.881 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.784 -8.725 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.351 -8.402 1.274 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.942 -9.841 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.288 -7.787 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.598 -7.510 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.160 -6.990 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.848 -9.563 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.756 -8.882 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.564 -10.572 1.178 1.00 0.00 H new ATOM 392 N GLY A 29 1.542 -10.353 1.525 1.00 0.00 N ATOM 393 CA GLY A 29 2.838 -10.251 0.876 1.00 0.00 C ATOM 394 C GLY A 29 3.214 -8.788 0.630 1.00 0.00 C ATOM 395 O GLY A 29 4.292 -8.499 0.112 1.00 0.00 O ATOM 0 H GLY A 29 1.580 -10.434 2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.598 -10.726 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.818 -10.789 -0.072 1.00 0.00 H new ATOM 399 N PHE A 30 2.305 -7.904 1.014 1.00 0.00 N ATOM 400 CA PHE A 30 2.528 -6.479 0.843 1.00 0.00 C ATOM 401 C PHE A 30 1.760 -5.673 1.892 1.00 0.00 C ATOM 402 O PHE A 30 0.869 -6.201 2.556 1.00 0.00 O ATOM 403 CB PHE A 30 2.009 -6.109 -0.548 1.00 0.00 C ATOM 404 CG PHE A 30 0.483 -6.096 -0.660 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.222 -5.019 -0.221 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.168 -7.163 -1.197 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.638 -5.008 -0.325 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.584 -7.151 -1.300 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.289 -6.074 -0.862 1.00 0.00 C ATOM 0 H PHE A 30 1.412 -8.147 1.443 1.00 0.00 H new ATOM 0 HA PHE A 30 3.588 -6.253 0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.391 -5.124 -0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.410 -6.816 -1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.295 -4.173 0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.392 -8.019 -1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.198 -4.153 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.101 -7.998 -1.726 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.366 -6.065 -0.941 1.00 0.00 H new ATOM 419 N THR A 31 2.132 -4.407 2.009 1.00 0.00 N ATOM 420 CA THR A 31 1.488 -3.523 2.966 1.00 0.00 C ATOM 421 C THR A 31 1.087 -2.209 2.292 1.00 0.00 C ATOM 422 O THR A 31 1.373 -1.998 1.115 1.00 0.00 O ATOM 423 CB THR A 31 2.440 -3.334 4.149 1.00 0.00 C ATOM 424 OG1 THR A 31 2.245 -1.977 4.538 1.00 0.00 O ATOM 425 CG2 THR A 31 3.911 -3.395 3.732 1.00 0.00 C ATOM 0 H THR A 31 2.871 -3.972 1.457 1.00 0.00 H new ATOM 0 HA THR A 31 0.561 -3.955 3.342 1.00 0.00 H new ATOM 0 HB THR A 31 2.244 -4.100 4.899 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.823 -1.769 5.301 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.544 -3.255 4.608 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.122 -4.366 3.283 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.117 -2.608 3.007 1.00 0.00 H new ATOM 433 N LEU A 32 0.432 -1.359 3.069 1.00 0.00 N ATOM 434 CA LEU A 32 -0.011 -0.071 2.563 1.00 0.00 C ATOM 435 C LEU A 32 0.633 1.045 3.387 1.00 0.00 C ATOM 436 O LEU A 32 0.427 1.127 4.597 1.00 0.00 O ATOM 437 CB LEU A 32 -1.539 -0.006 2.528 1.00 0.00 C ATOM 438 CG LEU A 32 -2.235 -1.045 1.646 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.744 -1.055 1.898 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.902 -0.823 0.170 1.00 0.00 C ATOM 0 H LEU A 32 0.197 -1.537 4.046 1.00 0.00 H new ATOM 0 HA LEU A 32 0.315 0.065 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.911 -0.116 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.833 0.987 2.187 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.857 -2.031 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.215 -1.802 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.937 -1.298 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.157 -0.072 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.409 -1.575 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.234 0.170 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.825 -0.906 0.024 1.00 0.00 H new ATOM 452 N ARG A 33 1.400 1.878 2.698 1.00 0.00 N ATOM 453 CA ARG A 33 2.076 2.986 3.352 1.00 0.00 C ATOM 454 C ARG A 33 1.539 4.319 2.827 1.00 0.00 C ATOM 455 O ARG A 33 0.835 4.355 1.819 1.00 0.00 O ATOM 456 CB ARG A 33 3.587 2.925 3.117 1.00 0.00 C ATOM 457 CG ARG A 33 4.232 1.835 3.975 1.00 0.00 C ATOM 458 CD ARG A 33 5.354 2.411 4.841 1.00 0.00 C ATOM 459 NE ARG A 33 4.939 2.429 6.261 1.00 0.00 N ATOM 460 CZ ARG A 33 5.563 3.130 7.217 1.00 0.00 C ATOM 461 NH1 ARG A 33 6.635 3.875 6.911 1.00 0.00 N ATOM 462 NH2 ARG A 33 5.116 3.088 8.480 1.00 0.00 N ATOM 0 H ARG A 33 1.568 1.808 1.694 1.00 0.00 H new ATOM 0 HA ARG A 33 1.882 2.908 4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.787 2.729 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.035 3.891 3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.477 1.374 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.630 1.050 3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.258 1.812 4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.597 3.421 4.512 1.00 0.00 H new ATOM 0 HE ARG A 33 4.127 1.873 6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.976 3.908 5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.110 4.409 7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.300 2.522 8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.592 3.622 9.207 1.00 0.00 H new ATOM 476 N GLY A 34 1.891 5.382 3.535 1.00 0.00 N ATOM 477 CA GLY A 34 1.453 6.714 3.153 1.00 0.00 C ATOM 478 C GLY A 34 0.054 7.008 3.697 1.00 0.00 C ATOM 479 O GLY A 34 -0.556 6.158 4.344 1.00 0.00 O ATOM 0 H GLY A 34 2.474 5.348 4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.157 7.455 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.451 6.802 2.067 1.00 0.00 H new ATOM 483 N ASN A 35 -0.414 8.215 3.416 1.00 0.00 N ATOM 484 CA ASN A 35 -1.730 8.632 3.870 1.00 0.00 C ATOM 485 C ASN A 35 -2.775 8.232 2.826 1.00 0.00 C ATOM 486 O ASN A 35 -3.524 7.277 3.027 1.00 0.00 O ATOM 487 CB ASN A 35 -1.796 10.151 4.047 1.00 0.00 C ATOM 488 CG ASN A 35 -1.625 10.539 5.516 1.00 0.00 C ATOM 489 OD1 ASN A 35 -0.775 10.027 6.226 1.00 0.00 O ATOM 490 ND2 ASN A 35 -2.478 11.471 5.932 1.00 0.00 N ATOM 0 H ASN A 35 0.095 8.918 2.879 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.926 8.148 4.827 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.017 10.625 3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.752 10.523 3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.445 11.798 6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.165 11.858 5.286 1.00 0.00 H new ATOM 497 N THR A 36 -2.791 8.982 1.734 1.00 0.00 N ATOM 498 CA THR A 36 -3.732 8.717 0.659 1.00 0.00 C ATOM 499 C THR A 36 -3.438 9.620 -0.541 1.00 0.00 C ATOM 500 O THR A 36 -3.145 10.803 -0.376 1.00 0.00 O ATOM 501 CB THR A 36 -5.147 8.888 1.215 1.00 0.00 C ATOM 502 OG1 THR A 36 -5.935 9.201 0.070 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.280 10.124 2.108 1.00 0.00 C ATOM 0 H THR A 36 -2.168 9.773 1.570 1.00 0.00 H new ATOM 0 HA THR A 36 -3.634 7.696 0.291 1.00 0.00 H new ATOM 0 HB THR A 36 -5.424 7.999 1.782 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.410 8.398 -0.230 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.303 10.198 2.476 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.596 10.038 2.952 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.036 11.017 1.532 1.00 0.00 H new ATOM 511 N PRO A 37 -3.528 9.011 -1.754 1.00 0.00 N ATOM 512 CA PRO A 37 -3.881 7.606 -1.862 1.00 0.00 C ATOM 513 C PRO A 37 -2.704 6.713 -1.463 1.00 0.00 C ATOM 514 O PRO A 37 -1.580 6.922 -1.917 1.00 0.00 O ATOM 515 CB PRO A 37 -4.306 7.417 -3.309 1.00 0.00 C ATOM 516 CG PRO A 37 -3.737 8.604 -4.069 1.00 0.00 C ATOM 517 CD PRO A 37 -3.298 9.643 -3.050 1.00 0.00 C ATOM 0 HA PRO A 37 -4.686 7.321 -1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.924 6.478 -3.709 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.392 7.382 -3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.893 8.294 -4.685 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.486 9.022 -4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.249 9.908 -3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.874 10.563 -3.150 1.00 0.00 H new ATOM 525 N VAL A 38 -3.003 5.737 -0.619 1.00 0.00 N ATOM 526 CA VAL A 38 -1.983 4.812 -0.154 1.00 0.00 C ATOM 527 C VAL A 38 -1.227 4.246 -1.357 1.00 0.00 C ATOM 528 O VAL A 38 -1.602 4.492 -2.503 1.00 0.00 O ATOM 529 CB VAL A 38 -2.620 3.726 0.716 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.359 4.340 1.907 1.00 0.00 C ATOM 531 CG2 VAL A 38 -3.554 2.839 -0.110 1.00 0.00 C ATOM 0 H VAL A 38 -3.936 5.566 -0.245 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.256 5.328 0.473 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.819 3.098 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.802 3.546 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.657 4.909 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.145 5.003 1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.993 2.076 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.347 3.449 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.988 2.359 -0.909 1.00 0.00 H new ATOM 541 N GLN A 39 -0.175 3.499 -1.057 1.00 0.00 N ATOM 542 CA GLN A 39 0.638 2.896 -2.100 1.00 0.00 C ATOM 543 C GLN A 39 0.800 1.396 -1.846 1.00 0.00 C ATOM 544 O GLN A 39 0.401 0.893 -0.797 1.00 0.00 O ATOM 545 CB GLN A 39 2.000 3.586 -2.201 1.00 0.00 C ATOM 546 CG GLN A 39 1.985 4.674 -3.276 1.00 0.00 C ATOM 547 CD GLN A 39 3.231 5.557 -3.180 1.00 0.00 C ATOM 548 OE1 GLN A 39 4.114 5.523 -4.020 1.00 0.00 O ATOM 549 NE2 GLN A 39 3.251 6.348 -2.110 1.00 0.00 N ATOM 0 H GLN A 39 0.134 3.297 -0.106 1.00 0.00 H new ATOM 0 HA GLN A 39 0.128 3.030 -3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.262 4.025 -1.238 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.768 2.849 -2.435 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.936 4.214 -4.263 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.091 5.287 -3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.478 6.326 -1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.040 6.976 -1.955 1.00 0.00 H new ATOM 558 N VAL A 40 1.386 0.723 -2.826 1.00 0.00 N ATOM 559 CA VAL A 40 1.606 -0.710 -2.722 1.00 0.00 C ATOM 560 C VAL A 40 3.085 -0.975 -2.432 1.00 0.00 C ATOM 561 O VAL A 40 3.922 -0.889 -3.330 1.00 0.00 O ATOM 562 CB VAL A 40 1.110 -1.408 -3.989 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.511 -2.885 -3.994 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.403 -1.251 -4.146 1.00 0.00 C ATOM 0 H VAL A 40 1.715 1.143 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 40 1.033 -1.126 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 40 1.587 -0.928 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.146 -3.358 -4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.597 -2.967 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.076 -3.383 -3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.729 -1.757 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.906 -1.692 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.654 -0.192 -4.210 1.00 0.00 H new ATOM 574 N HIS A 41 3.362 -1.291 -1.176 1.00 0.00 N ATOM 575 CA HIS A 41 4.725 -1.569 -0.757 1.00 0.00 C ATOM 576 C HIS A 41 4.972 -3.079 -0.783 1.00 0.00 C ATOM 577 O HIS A 41 5.150 -3.700 0.263 1.00 0.00 O ATOM 578 CB HIS A 41 5.012 -0.945 0.610 1.00 0.00 C ATOM 579 CG HIS A 41 6.478 -0.899 0.969 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.219 0.269 0.947 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.331 -1.889 1.360 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.461 -0.016 1.309 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.528 -1.354 1.564 1.00 0.00 N ATOM 0 H HIS A 41 2.665 -1.361 -0.434 1.00 0.00 H new ATOM 0 HA HIS A 41 5.424 -1.109 -1.455 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.613 0.069 0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.479 -1.510 1.375 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.076 -2.931 1.483 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.277 0.687 1.388 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.362 -1.860 1.863 1.00 0.00 H new ATOM 591 N PHE A 42 4.975 -3.625 -1.990 1.00 0.00 N ATOM 592 CA PHE A 42 5.197 -5.050 -2.166 1.00 0.00 C ATOM 593 C PHE A 42 6.433 -5.512 -1.392 1.00 0.00 C ATOM 594 O PHE A 42 7.453 -4.825 -1.377 1.00 0.00 O ATOM 595 CB PHE A 42 5.429 -5.285 -3.660 1.00 0.00 C ATOM 596 CG PHE A 42 4.143 -5.477 -4.467 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.232 -6.410 -4.082 1.00 0.00 C ATOM 598 CD2 PHE A 42 3.911 -4.713 -5.568 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.038 -6.587 -4.831 1.00 0.00 C ATOM 600 CE2 PHE A 42 2.718 -4.891 -6.317 1.00 0.00 C ATOM 601 CZ PHE A 42 1.806 -5.824 -5.933 1.00 0.00 C ATOM 0 H PHE A 42 4.827 -3.106 -2.856 1.00 0.00 H new ATOM 0 HA PHE A 42 4.338 -5.609 -1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.980 -4.438 -4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.059 -6.165 -3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.416 -7.016 -3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.634 -3.971 -5.873 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.314 -7.328 -4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.535 -4.285 -7.192 1.00 0.00 H new ATOM 0 HZ PHE A 42 0.898 -5.959 -6.503 1.00 0.00 H new ATOM 611 N LEU A 43 6.300 -6.673 -0.767 1.00 0.00 N ATOM 612 CA LEU A 43 7.393 -7.234 0.008 1.00 0.00 C ATOM 613 C LEU A 43 7.916 -8.490 -0.692 1.00 0.00 C ATOM 614 O LEU A 43 9.125 -8.703 -0.772 1.00 0.00 O ATOM 615 CB LEU A 43 6.957 -7.473 1.455 1.00 0.00 C ATOM 616 CG LEU A 43 6.748 -6.220 2.308 1.00 0.00 C ATOM 617 CD1 LEU A 43 6.029 -6.561 3.615 1.00 0.00 C ATOM 618 CD2 LEU A 43 8.073 -5.496 2.554 1.00 0.00 C ATOM 0 H LEU A 43 5.452 -7.240 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 43 8.223 -6.529 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.026 -8.040 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.706 -8.098 1.941 1.00 0.00 H new ATOM 0 HG LEU A 43 6.105 -5.534 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.893 -5.653 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.056 -6.998 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.626 -7.275 4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.896 -4.609 3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.760 -6.162 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.508 -5.200 1.600 1.00 0.00 H new ATOM 630 N ASP A 44 6.980 -9.290 -1.180 1.00 0.00 N ATOM 631 CA ASP A 44 7.331 -10.519 -1.871 1.00 0.00 C ATOM 632 C ASP A 44 7.035 -10.363 -3.364 1.00 0.00 C ATOM 633 O ASP A 44 6.042 -9.744 -3.742 1.00 0.00 O ATOM 634 CB ASP A 44 6.509 -11.699 -1.347 1.00 0.00 C ATOM 635 CG ASP A 44 7.256 -13.033 -1.291 1.00 0.00 C ATOM 636 OD1 ASP A 44 8.244 -13.098 -0.528 1.00 0.00 O ATOM 637 OD2 ASP A 44 6.822 -13.957 -2.012 1.00 0.00 O ATOM 0 H ASP A 44 5.978 -9.111 -1.111 1.00 0.00 H new ATOM 0 HA ASP A 44 8.390 -10.712 -1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.152 -11.457 -0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.629 -11.819 -1.979 1.00 0.00 H new ATOM 642 N PRO A 45 7.940 -10.949 -4.193 1.00 0.00 N ATOM 643 CA PRO A 45 7.786 -10.881 -5.637 1.00 0.00 C ATOM 644 C PRO A 45 6.682 -11.826 -6.116 1.00 0.00 C ATOM 645 O PRO A 45 6.150 -11.660 -7.212 1.00 0.00 O ATOM 646 CB PRO A 45 9.154 -11.234 -6.195 1.00 0.00 C ATOM 647 CG PRO A 45 9.896 -11.937 -5.069 1.00 0.00 C ATOM 648 CD PRO A 45 9.128 -11.689 -3.781 1.00 0.00 C ATOM 0 HA PRO A 45 7.473 -9.895 -5.981 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.065 -11.881 -7.067 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.688 -10.339 -6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.971 -13.006 -5.270 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.914 -11.556 -4.986 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.861 -12.626 -3.293 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.723 -11.117 -3.069 1.00 0.00 H new ATOM 656 N HIS A 46 6.371 -12.797 -5.270 1.00 0.00 N ATOM 657 CA HIS A 46 5.340 -13.769 -5.593 1.00 0.00 C ATOM 658 C HIS A 46 4.321 -13.835 -4.454 1.00 0.00 C ATOM 659 O HIS A 46 4.150 -14.880 -3.829 1.00 0.00 O ATOM 660 CB HIS A 46 5.959 -15.131 -5.914 1.00 0.00 C ATOM 661 CG HIS A 46 6.933 -15.106 -7.068 1.00 0.00 C ATOM 662 ND1 HIS A 46 6.980 -14.315 -8.178 1.00 0.00 N flip ATOM 663 CD2 HIS A 46 8.011 -15.970 -7.158 1.00 0.00 C flip ATOM 664 CE1 HIS A 46 8.030 -14.674 -8.906 1.00 0.00 C flip ATOM 665 NE2 HIS A 46 8.670 -15.701 -8.275 1.00 0.00 N flip ATOM 0 H HIS A 46 6.815 -12.932 -4.361 1.00 0.00 H new ATOM 0 HA HIS A 46 4.809 -13.455 -6.491 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.472 -15.504 -5.027 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.160 -15.837 -6.141 1.00 0.00 H new ATOM 0 HD1 HIS A 46 6.320 -13.573 -8.410 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.270 -16.734 -6.440 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.329 -14.227 -9.843 1.00 0.00 H new ATOM 673 N CYS A 47 3.671 -12.705 -4.218 1.00 0.00 N ATOM 674 CA CYS A 47 2.674 -12.620 -3.165 1.00 0.00 C ATOM 675 C CYS A 47 1.307 -12.946 -3.771 1.00 0.00 C ATOM 676 O CYS A 47 0.559 -13.755 -3.224 1.00 0.00 O ATOM 677 CB CYS A 47 2.684 -11.251 -2.484 1.00 0.00 C ATOM 678 SG CYS A 47 2.548 -9.926 -3.740 1.00 0.00 S ATOM 0 H CYS A 47 3.816 -11.840 -4.739 1.00 0.00 H new ATOM 0 HA CYS A 47 2.906 -13.343 -2.383 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.856 -11.181 -1.778 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.603 -11.127 -1.911 1.00 0.00 H new ATOM 0 HG CYS A 47 3.736 -9.500 -4.052 1.00 0.00 H new ATOM 684 N SER A 48 1.023 -12.300 -4.892 1.00 0.00 N ATOM 685 CA SER A 48 -0.240 -12.510 -5.578 1.00 0.00 C ATOM 686 C SER A 48 -0.532 -11.333 -6.510 1.00 0.00 C ATOM 687 O SER A 48 -0.422 -11.460 -7.729 1.00 0.00 O ATOM 688 CB SER A 48 -1.385 -12.693 -4.580 1.00 0.00 C ATOM 689 OG SER A 48 -1.665 -14.068 -4.334 1.00 0.00 O ATOM 0 H SER A 48 1.647 -11.630 -5.343 1.00 0.00 H new ATOM 0 HA SER A 48 -0.160 -13.422 -6.169 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.129 -12.202 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.281 -12.204 -4.962 1.00 0.00 H new ATOM 0 HG SER A 48 -1.045 -14.412 -3.658 1.00 0.00 H new ATOM 695 N ALA A 49 -0.899 -10.214 -5.902 1.00 0.00 N ATOM 696 CA ALA A 49 -1.207 -9.016 -6.663 1.00 0.00 C ATOM 697 C ALA A 49 -0.165 -8.836 -7.769 1.00 0.00 C ATOM 698 O ALA A 49 -0.516 -8.668 -8.936 1.00 0.00 O ATOM 699 CB ALA A 49 -1.268 -7.813 -5.719 1.00 0.00 C ATOM 0 H ALA A 49 -0.990 -10.112 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.182 -9.106 -7.141 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.499 -6.914 -6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.043 -7.977 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.305 -7.690 -5.223 1.00 0.00 H new ATOM 705 N SER A 50 1.095 -8.879 -7.363 1.00 0.00 N ATOM 706 CA SER A 50 2.190 -8.724 -8.306 1.00 0.00 C ATOM 707 C SER A 50 2.049 -9.737 -9.443 1.00 0.00 C ATOM 708 O SER A 50 2.320 -9.418 -10.600 1.00 0.00 O ATOM 709 CB SER A 50 3.543 -8.891 -7.610 1.00 0.00 C ATOM 710 OG SER A 50 4.433 -7.819 -7.909 1.00 0.00 O ATOM 0 H SER A 50 1.382 -9.019 -6.394 1.00 0.00 H new ATOM 0 HA SER A 50 2.146 -7.716 -8.719 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.392 -8.947 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.995 -9.834 -7.918 1.00 0.00 H new ATOM 0 HG SER A 50 5.284 -7.961 -7.445 1.00 0.00 H new ATOM 716 N LEU A 51 1.627 -10.937 -9.075 1.00 0.00 N ATOM 717 CA LEU A 51 1.447 -11.999 -10.051 1.00 0.00 C ATOM 718 C LEU A 51 0.239 -11.676 -10.932 1.00 0.00 C ATOM 719 O LEU A 51 0.169 -12.112 -12.081 1.00 0.00 O ATOM 720 CB LEU A 51 1.353 -13.358 -9.353 1.00 0.00 C ATOM 721 CG LEU A 51 2.596 -13.799 -8.577 1.00 0.00 C ATOM 722 CD1 LEU A 51 2.208 -14.601 -7.333 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.560 -14.572 -9.479 1.00 0.00 C ATOM 0 H LEU A 51 1.404 -11.198 -8.114 1.00 0.00 H new ATOM 0 HA LEU A 51 2.314 -12.063 -10.708 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.508 -13.333 -8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.130 -14.116 -10.104 1.00 0.00 H new ATOM 0 HG LEU A 51 3.121 -12.907 -8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.109 -14.903 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.589 -13.985 -6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.649 -15.488 -7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.435 -14.874 -8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.060 -15.458 -9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.873 -13.936 -10.307 1.00 0.00 H new ATOM 735 N ALA A 52 -0.684 -10.915 -10.362 1.00 0.00 N ATOM 736 CA ALA A 52 -1.885 -10.529 -11.081 1.00 0.00 C ATOM 737 C ALA A 52 -1.508 -9.586 -12.226 1.00 0.00 C ATOM 738 O ALA A 52 -1.772 -9.882 -13.391 1.00 0.00 O ATOM 739 CB ALA A 52 -2.882 -9.896 -10.109 1.00 0.00 C ATOM 0 H ALA A 52 -0.624 -10.555 -9.409 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.367 -11.403 -11.519 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.783 -9.606 -10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.140 -10.616 -9.332 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.434 -9.014 -9.652 1.00 0.00 H new ATOM 745 N GLY A 53 -0.898 -8.471 -11.854 1.00 0.00 N ATOM 746 CA GLY A 53 -0.482 -7.483 -12.835 1.00 0.00 C ATOM 747 C GLY A 53 -0.343 -6.100 -12.196 1.00 0.00 C ATOM 748 O GLY A 53 -0.780 -5.101 -12.765 1.00 0.00 O ATOM 0 H GLY A 53 -0.682 -8.229 -10.887 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.469 -7.781 -13.276 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.210 -7.441 -13.646 1.00 0.00 H new ATOM 752 N ALA A 54 0.268 -6.086 -11.020 1.00 0.00 N ATOM 753 CA ALA A 54 0.471 -4.842 -10.297 1.00 0.00 C ATOM 754 C ALA A 54 1.969 -4.622 -10.079 1.00 0.00 C ATOM 755 O ALA A 54 2.786 -5.451 -10.476 1.00 0.00 O ATOM 756 CB ALA A 54 -0.310 -4.883 -8.981 1.00 0.00 C ATOM 0 H ALA A 54 0.629 -6.916 -10.550 1.00 0.00 H new ATOM 0 HA ALA A 54 0.094 -3.997 -10.874 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.158 -3.950 -8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.372 -5.011 -9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.043 -5.717 -8.374 1.00 0.00 H new ATOM 762 N LYS A 55 2.284 -3.500 -9.449 1.00 0.00 N ATOM 763 CA LYS A 55 3.670 -3.160 -9.173 1.00 0.00 C ATOM 764 C LYS A 55 3.731 -2.229 -7.961 1.00 0.00 C ATOM 765 O LYS A 55 2.709 -1.949 -7.336 1.00 0.00 O ATOM 766 CB LYS A 55 4.340 -2.587 -10.424 1.00 0.00 C ATOM 767 CG LYS A 55 4.724 -3.701 -11.399 1.00 0.00 C ATOM 768 CD LYS A 55 5.881 -3.265 -12.302 1.00 0.00 C ATOM 769 CE LYS A 55 5.693 -3.792 -13.726 1.00 0.00 C ATOM 770 NZ LYS A 55 5.146 -2.733 -14.603 1.00 0.00 N ATOM 0 H LYS A 55 1.603 -2.814 -9.122 1.00 0.00 H new ATOM 0 HA LYS A 55 4.238 -4.054 -8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.664 -1.887 -10.914 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.230 -2.025 -10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.009 -4.594 -10.843 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.862 -3.968 -12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.944 -2.177 -12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.823 -3.633 -11.896 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.648 -4.141 -14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.019 -4.649 -13.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.025 -3.108 -15.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.225 -2.419 -14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.803 -1.927 -14.625 1.00 0.00 H new ATOM 784 N GLU A 56 4.940 -1.774 -7.665 1.00 0.00 N ATOM 785 CA GLU A 56 5.148 -0.880 -6.539 1.00 0.00 C ATOM 786 C GLU A 56 4.767 0.552 -6.920 1.00 0.00 C ATOM 787 O GLU A 56 4.605 0.862 -8.100 1.00 0.00 O ATOM 788 CB GLU A 56 6.594 -0.949 -6.043 1.00 0.00 C ATOM 789 CG GLU A 56 6.667 -1.582 -4.652 1.00 0.00 C ATOM 790 CD GLU A 56 8.065 -2.140 -4.377 1.00 0.00 C ATOM 791 OE1 GLU A 56 8.729 -2.520 -5.365 1.00 0.00 O ATOM 792 OE2 GLU A 56 8.438 -2.174 -3.184 1.00 0.00 O ATOM 0 H GLU A 56 5.785 -2.008 -8.186 1.00 0.00 H new ATOM 0 HA GLU A 56 4.503 -1.202 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.195 -1.530 -6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.020 0.054 -6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.413 -0.839 -3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.930 -2.381 -4.573 1.00 0.00 H new ATOM 799 N GLY A 57 4.634 1.387 -5.900 1.00 0.00 N ATOM 800 CA GLY A 57 4.275 2.778 -6.114 1.00 0.00 C ATOM 801 C GLY A 57 2.854 2.899 -6.667 1.00 0.00 C ATOM 802 O GLY A 57 2.439 3.976 -7.093 1.00 0.00 O ATOM 0 H GLY A 57 4.769 1.127 -4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.351 3.326 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.979 3.236 -6.808 1.00 0.00 H new ATOM 806 N ASP A 58 2.146 1.779 -6.643 1.00 0.00 N ATOM 807 CA ASP A 58 0.780 1.746 -7.137 1.00 0.00 C ATOM 808 C ASP A 58 -0.149 2.377 -6.098 1.00 0.00 C ATOM 809 O ASP A 58 -0.136 1.989 -4.931 1.00 0.00 O ATOM 810 CB ASP A 58 0.315 0.308 -7.375 1.00 0.00 C ATOM 811 CG ASP A 58 0.853 -0.343 -8.651 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.631 0.339 -9.352 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.473 -1.509 -8.897 1.00 0.00 O ATOM 0 H ASP A 58 2.493 0.888 -6.289 1.00 0.00 H new ATOM 0 HA ASP A 58 0.748 2.296 -8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.613 -0.300 -6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.774 0.296 -7.410 1.00 0.00 H new ATOM 818 N TYR A 59 -0.932 3.341 -6.560 1.00 0.00 N ATOM 819 CA TYR A 59 -1.866 4.030 -5.685 1.00 0.00 C ATOM 820 C TYR A 59 -3.283 3.480 -5.854 1.00 0.00 C ATOM 821 O TYR A 59 -3.884 3.619 -6.919 1.00 0.00 O ATOM 822 CB TYR A 59 -1.845 5.497 -6.119 1.00 0.00 C ATOM 823 CG TYR A 59 -0.469 6.157 -6.020 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.505 5.866 -6.954 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.200 7.042 -4.995 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.801 6.487 -6.860 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.096 7.663 -4.902 1.00 0.00 C ATOM 828 CZ TYR A 59 2.032 7.355 -5.838 1.00 0.00 C ATOM 829 OH TYR A 59 3.256 7.941 -5.750 1.00 0.00 O ATOM 0 H TYR A 59 -0.939 3.661 -7.528 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.583 3.899 -4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.196 5.565 -7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.550 6.057 -5.504 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.295 5.173 -7.755 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.961 7.268 -4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.572 6.269 -7.584 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.319 8.358 -4.106 1.00 0.00 H new ATOM 0 HH TYR A 59 3.849 7.380 -5.208 1.00 0.00 H new ATOM 839 N ILE A 60 -3.777 2.867 -4.788 1.00 0.00 N ATOM 840 CA ILE A 60 -5.113 2.296 -4.805 1.00 0.00 C ATOM 841 C ILE A 60 -6.141 3.419 -4.956 1.00 0.00 C ATOM 842 O ILE A 60 -6.086 4.417 -4.239 1.00 0.00 O ATOM 843 CB ILE A 60 -5.336 1.419 -3.571 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.532 0.121 -3.668 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.826 1.155 -3.348 1.00 0.00 C ATOM 846 CD1 ILE A 60 -3.966 -0.277 -2.304 1.00 0.00 C ATOM 0 H ILE A 60 -3.276 2.753 -3.907 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.234 1.635 -5.663 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.971 1.959 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.169 -0.678 -4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.717 0.246 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.957 0.529 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.345 2.102 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.239 0.645 -4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.399 -1.203 -2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.311 0.513 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.785 -0.425 -1.600 1.00 0.00 H new ATOM 858 N VAL A 61 -7.056 3.218 -5.893 1.00 0.00 N ATOM 859 CA VAL A 61 -8.095 4.201 -6.147 1.00 0.00 C ATOM 860 C VAL A 61 -9.453 3.612 -5.759 1.00 0.00 C ATOM 861 O VAL A 61 -10.306 4.314 -5.218 1.00 0.00 O ATOM 862 CB VAL A 61 -8.037 4.659 -7.606 1.00 0.00 C ATOM 863 CG1 VAL A 61 -6.853 5.600 -7.838 1.00 0.00 C ATOM 864 CG2 VAL A 61 -7.979 3.461 -8.555 1.00 0.00 C ATOM 0 H VAL A 61 -7.099 2.389 -6.485 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.938 5.089 -5.535 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.952 5.212 -7.820 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.835 5.911 -8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.955 6.478 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.924 5.083 -7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.938 3.815 -9.585 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.090 2.869 -8.339 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.867 2.845 -8.418 1.00 0.00 H new ATOM 874 N SER A 62 -9.612 2.330 -6.051 1.00 0.00 N ATOM 875 CA SER A 62 -10.852 1.639 -5.739 1.00 0.00 C ATOM 876 C SER A 62 -10.616 0.128 -5.710 1.00 0.00 C ATOM 877 O SER A 62 -9.626 -0.360 -6.253 1.00 0.00 O ATOM 878 CB SER A 62 -11.945 1.986 -6.752 1.00 0.00 C ATOM 879 OG SER A 62 -12.400 3.328 -6.607 1.00 0.00 O ATOM 0 H SER A 62 -8.903 1.751 -6.501 1.00 0.00 H new ATOM 0 HA SER A 62 -11.188 1.967 -4.755 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.563 1.840 -7.762 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.785 1.303 -6.627 1.00 0.00 H new ATOM 0 HG SER A 62 -11.949 3.746 -5.844 1.00 0.00 H new ATOM 885 N ILE A 63 -11.542 -0.571 -5.071 1.00 0.00 N ATOM 886 CA ILE A 63 -11.447 -2.017 -4.963 1.00 0.00 C ATOM 887 C ILE A 63 -12.829 -2.633 -5.192 1.00 0.00 C ATOM 888 O ILE A 63 -13.762 -2.373 -4.434 1.00 0.00 O ATOM 889 CB ILE A 63 -10.810 -2.415 -3.630 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.429 -1.775 -3.470 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.757 -3.937 -3.480 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.906 -1.951 -2.043 1.00 0.00 C ATOM 0 H ILE A 63 -12.362 -0.163 -4.622 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.788 -2.414 -5.735 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.437 -2.034 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.731 -2.226 -4.175 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.486 -0.714 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.300 -4.193 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.768 -4.342 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.165 -4.362 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.923 -1.487 -1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.594 -1.478 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.828 -3.013 -1.813 1.00 0.00 H new ATOM 904 N GLN A 64 -12.917 -3.438 -6.241 1.00 0.00 N ATOM 905 CA GLN A 64 -14.169 -4.093 -6.580 1.00 0.00 C ATOM 906 C GLN A 64 -15.156 -3.080 -7.163 1.00 0.00 C ATOM 907 O GLN A 64 -15.637 -3.251 -8.283 1.00 0.00 O ATOM 908 CB GLN A 64 -14.764 -4.800 -5.361 1.00 0.00 C ATOM 909 CG GLN A 64 -14.725 -6.319 -5.535 1.00 0.00 C ATOM 910 CD GLN A 64 -16.122 -6.876 -5.814 1.00 0.00 C ATOM 911 OE1 GLN A 64 -17.134 -6.266 -5.511 1.00 0.00 O ATOM 912 NE2 GLN A 64 -16.121 -8.066 -6.409 1.00 0.00 N ATOM 0 H GLN A 64 -12.141 -3.651 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.968 -4.851 -7.337 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.209 -4.519 -4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.793 -4.474 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.056 -6.577 -6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.319 -6.781 -4.635 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.237 -8.522 -6.635 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -17.004 -8.522 -6.639 1.00 0.00 H new ATOM 921 N GLY A 65 -15.429 -2.048 -6.379 1.00 0.00 N ATOM 922 CA GLY A 65 -16.351 -1.008 -6.804 1.00 0.00 C ATOM 923 C GLY A 65 -16.595 0.002 -5.680 1.00 0.00 C ATOM 924 O GLY A 65 -17.712 0.486 -5.508 1.00 0.00 O ATOM 0 H GLY A 65 -15.028 -1.909 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.949 -0.495 -7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -17.297 -1.457 -7.106 1.00 0.00 H new ATOM 928 N VAL A 66 -15.530 0.288 -4.945 1.00 0.00 N ATOM 929 CA VAL A 66 -15.615 1.231 -3.843 1.00 0.00 C ATOM 930 C VAL A 66 -14.546 2.312 -4.019 1.00 0.00 C ATOM 931 O VAL A 66 -13.548 2.097 -4.705 1.00 0.00 O ATOM 932 CB VAL A 66 -15.501 0.490 -2.510 1.00 0.00 C ATOM 933 CG1 VAL A 66 -15.393 1.473 -1.342 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.678 -0.468 -2.313 1.00 0.00 C ATOM 0 H VAL A 66 -14.605 -0.116 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.585 1.729 -3.841 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.586 -0.102 -2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.313 0.919 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.508 2.096 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.281 2.105 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -16.573 -0.982 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.611 0.095 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.690 -1.201 -3.120 1.00 0.00 H new ATOM 944 N ASP A 67 -14.791 3.450 -3.387 1.00 0.00 N ATOM 945 CA ASP A 67 -13.862 4.565 -3.466 1.00 0.00 C ATOM 946 C ASP A 67 -12.714 4.336 -2.480 1.00 0.00 C ATOM 947 O ASP A 67 -12.943 4.159 -1.285 1.00 0.00 O ATOM 948 CB ASP A 67 -14.548 5.881 -3.095 1.00 0.00 C ATOM 949 CG ASP A 67 -14.347 7.019 -4.097 1.00 0.00 C ATOM 950 OD1 ASP A 67 -15.083 7.022 -5.108 1.00 0.00 O ATOM 951 OD2 ASP A 67 -13.463 7.861 -3.831 1.00 0.00 O ATOM 0 H ASP A 67 -15.619 3.624 -2.818 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.495 4.626 -4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.617 5.698 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.179 6.204 -2.122 1.00 0.00 H new ATOM 956 N CYS A 68 -11.503 4.348 -3.019 1.00 0.00 N ATOM 957 CA CYS A 68 -10.319 4.144 -2.202 1.00 0.00 C ATOM 958 C CYS A 68 -9.258 5.159 -2.632 1.00 0.00 C ATOM 959 O CYS A 68 -8.106 4.797 -2.866 1.00 0.00 O ATOM 960 CB CYS A 68 -9.805 2.706 -2.299 1.00 0.00 C ATOM 961 SG CYS A 68 -10.960 1.571 -1.446 1.00 0.00 S ATOM 0 H CYS A 68 -11.317 4.496 -4.011 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.567 4.301 -1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.704 2.417 -3.345 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.814 2.634 -1.851 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.055 2.207 -1.151 1.00 0.00 H new ATOM 967 N LYS A 69 -9.684 6.411 -2.723 1.00 0.00 N ATOM 968 CA LYS A 69 -8.785 7.480 -3.121 1.00 0.00 C ATOM 969 C LYS A 69 -8.518 8.389 -1.919 1.00 0.00 C ATOM 970 O LYS A 69 -7.459 9.009 -1.828 1.00 0.00 O ATOM 971 CB LYS A 69 -9.339 8.220 -4.340 1.00 0.00 C ATOM 972 CG LYS A 69 -8.220 8.576 -5.321 1.00 0.00 C ATOM 973 CD LYS A 69 -8.504 9.909 -6.016 1.00 0.00 C ATOM 974 CE LYS A 69 -9.592 9.752 -7.080 1.00 0.00 C ATOM 975 NZ LYS A 69 -8.997 9.755 -8.435 1.00 0.00 N ATOM 0 H LYS A 69 -10.640 6.708 -2.528 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.824 7.073 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.082 7.599 -4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.848 9.129 -4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.270 8.634 -4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.120 7.787 -6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.816 10.649 -5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.591 10.284 -6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.136 8.822 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.315 10.563 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.749 9.648 -9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.498 10.654 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.325 8.966 -8.521 1.00 0.00 H new ATOM 989 N TRP A 70 -9.497 8.441 -1.027 1.00 0.00 N ATOM 990 CA TRP A 70 -9.380 9.263 0.165 1.00 0.00 C ATOM 991 C TRP A 70 -9.106 8.339 1.352 1.00 0.00 C ATOM 992 O TRP A 70 -8.388 8.710 2.280 1.00 0.00 O ATOM 993 CB TRP A 70 -10.627 10.130 0.357 1.00 0.00 C ATOM 994 CG TRP A 70 -11.088 10.847 -0.914 1.00 0.00 C ATOM 995 CD1 TRP A 70 -11.889 10.379 -1.881 1.00 0.00 C ATOM 996 CD2 TRP A 70 -10.741 12.188 -1.318 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.083 11.317 -2.875 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.362 12.452 -2.521 1.00 0.00 C ATOM 999 CE3 TRP A 70 -9.928 13.147 -0.687 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.236 13.671 -3.198 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -9.813 14.360 -1.377 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -10.432 14.641 -2.589 1.00 0.00 C ATOM 0 H TRP A 70 -10.375 7.927 -1.106 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.550 9.963 0.071 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.440 9.503 0.723 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.425 10.873 1.128 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.328 9.392 -1.882 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.651 11.199 -3.714 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.432 12.962 0.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -11.733 13.853 -4.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.200 15.132 -0.936 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.293 15.604 -3.059 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.692 7.153 1.286 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.520 6.172 2.345 1.00 0.00 C ATOM 1015 C LEU A 71 -8.048 6.127 2.757 1.00 0.00 C ATOM 1016 O LEU A 71 -7.164 6.411 1.950 1.00 0.00 O ATOM 1017 CB LEU A 71 -10.080 4.815 1.914 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.593 4.754 1.691 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.070 3.306 1.564 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.340 5.509 2.792 1.00 0.00 C ATOM 0 H LEU A 71 -10.287 6.848 0.515 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.090 6.460 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.584 4.516 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.814 4.077 2.671 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.820 5.252 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.148 3.291 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.573 2.832 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.829 2.762 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.413 5.450 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.111 5.062 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.029 6.554 2.792 1.00 0.00 H new ATOM 1032 N THR A 72 -7.829 5.768 4.014 1.00 0.00 N ATOM 1033 CA THR A 72 -6.479 5.682 4.543 1.00 0.00 C ATOM 1034 C THR A 72 -5.922 4.269 4.358 1.00 0.00 C ATOM 1035 O THR A 72 -6.393 3.520 3.503 1.00 0.00 O ATOM 1036 CB THR A 72 -6.514 6.134 6.004 1.00 0.00 C ATOM 1037 OG1 THR A 72 -7.370 5.189 6.640 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.236 7.471 6.186 1.00 0.00 C ATOM 0 H THR A 72 -8.564 5.533 4.681 1.00 0.00 H new ATOM 0 HA THR A 72 -5.799 6.339 4.000 1.00 0.00 H new ATOM 0 HB THR A 72 -5.495 6.217 6.382 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.073 5.663 7.131 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.232 7.746 7.241 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.726 8.242 5.608 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.265 7.379 5.839 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.929 3.947 5.174 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.303 2.637 5.111 1.00 0.00 C ATOM 1048 C VAL A 73 -5.227 1.604 5.759 1.00 0.00 C ATOM 1049 O VAL A 73 -5.433 0.521 5.214 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.917 2.688 5.755 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.412 1.280 6.082 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -1.923 3.432 4.861 1.00 0.00 C ATOM 0 H VAL A 73 -4.542 4.571 5.882 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.153 2.334 4.075 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.003 3.240 6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.425 1.345 6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.102 0.798 6.775 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.350 0.694 5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.946 3.453 5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.843 2.921 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.271 4.452 4.701 1.00 0.00 H new ATOM 1062 N SER A 74 -5.758 1.975 6.915 1.00 0.00 N ATOM 1063 CA SER A 74 -6.655 1.094 7.644 1.00 0.00 C ATOM 1064 C SER A 74 -7.900 0.803 6.804 1.00 0.00 C ATOM 1065 O SER A 74 -8.193 -0.353 6.503 1.00 0.00 O ATOM 1066 CB SER A 74 -7.053 1.704 8.989 1.00 0.00 C ATOM 1067 OG SER A 74 -7.363 0.706 9.957 1.00 0.00 O ATOM 0 H SER A 74 -5.584 2.874 7.365 1.00 0.00 H new ATOM 0 HA SER A 74 -6.131 0.159 7.841 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.239 2.328 9.359 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.916 2.355 8.851 1.00 0.00 H new ATOM 0 HG SER A 74 -7.611 1.136 10.802 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.598 1.871 6.449 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.805 1.745 5.649 1.00 0.00 C ATOM 1075 C GLU A 75 -9.618 0.673 4.573 1.00 0.00 C ATOM 1076 O GLU A 75 -10.289 -0.357 4.595 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.192 3.087 5.025 1.00 0.00 C ATOM 1078 CG GLU A 75 -11.060 3.907 5.982 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.328 5.169 6.442 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.361 6.156 5.676 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -9.750 5.118 7.550 1.00 0.00 O ATOM 0 H GLU A 75 -8.351 2.828 6.700 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.621 1.438 6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.292 3.648 4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.732 2.917 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.992 4.183 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.326 3.300 6.848 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.704 0.954 3.656 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.421 0.027 2.573 1.00 0.00 C ATOM 1090 C VAL A 76 -8.153 -1.363 3.154 1.00 0.00 C ATOM 1091 O VAL A 76 -8.861 -2.318 2.840 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.262 0.553 1.723 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.861 -0.464 0.653 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.613 1.902 1.093 1.00 0.00 C ATOM 0 H VAL A 76 -8.150 1.810 3.640 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.281 -0.058 1.909 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.405 0.703 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.036 -0.065 0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.550 -1.392 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.712 -0.660 0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.773 2.254 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.490 1.789 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.826 2.626 1.879 1.00 0.00 H new ATOM 1104 N MET A 77 -7.129 -1.431 3.992 1.00 0.00 N ATOM 1105 CA MET A 77 -6.759 -2.688 4.620 1.00 0.00 C ATOM 1106 C MET A 77 -8.000 -3.499 4.998 1.00 0.00 C ATOM 1107 O MET A 77 -8.024 -4.718 4.835 1.00 0.00 O ATOM 1108 CB MET A 77 -5.930 -2.408 5.875 1.00 0.00 C ATOM 1109 CG MET A 77 -4.435 -2.569 5.592 1.00 0.00 C ATOM 1110 SD MET A 77 -4.093 -4.234 5.046 1.00 0.00 S ATOM 1111 CE MET A 77 -3.006 -3.893 3.672 1.00 0.00 C ATOM 0 H MET A 77 -6.544 -0.636 4.251 1.00 0.00 H new ATOM 0 HA MET A 77 -6.172 -3.268 3.908 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.130 -1.397 6.229 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.228 -3.089 6.672 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.122 -1.856 4.829 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.860 -2.347 6.491 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.337 -4.740 3.518 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.598 -3.730 2.771 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.418 -3.000 3.886 1.00 0.00 H new ATOM 1121 N LYS A 78 -9.002 -2.789 5.497 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.243 -3.427 5.900 1.00 0.00 C ATOM 1123 C LYS A 78 -11.043 -3.809 4.653 1.00 0.00 C ATOM 1124 O LYS A 78 -11.552 -4.925 4.556 1.00 0.00 O ATOM 1125 CB LYS A 78 -11.013 -2.533 6.874 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.843 -3.019 8.315 1.00 0.00 C ATOM 1127 CD LYS A 78 -11.390 -1.991 9.308 1.00 0.00 C ATOM 1128 CE LYS A 78 -10.410 -1.768 10.462 1.00 0.00 C ATOM 1129 NZ LYS A 78 -11.095 -1.126 11.606 1.00 0.00 N ATOM 0 H LYS A 78 -8.979 -1.778 5.631 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.038 -4.349 6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.658 -1.506 6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.071 -2.528 6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.362 -3.969 8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.788 -3.202 8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.574 -1.047 8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.348 -2.333 9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.983 -2.721 10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.582 -1.142 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.416 -0.982 12.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.481 -0.207 11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.870 -1.737 11.934 1.00 0.00 H new ATOM 1143 N LEU A 79 -11.129 -2.862 3.731 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.859 -3.086 2.494 1.00 0.00 C ATOM 1145 C LEU A 79 -11.243 -4.273 1.752 1.00 0.00 C ATOM 1146 O LEU A 79 -11.905 -4.907 0.930 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.912 -1.802 1.663 1.00 0.00 C ATOM 1148 CG LEU A 79 -13.306 -1.329 1.247 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.622 0.042 1.848 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.455 -1.336 -0.276 1.00 0.00 C ATOM 0 H LEU A 79 -10.706 -1.938 3.815 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.897 -3.345 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.434 -1.005 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.317 -1.951 0.762 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.038 -2.031 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.619 0.355 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.584 -0.020 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.888 0.769 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.455 -0.996 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.714 -0.670 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.303 -2.348 -0.652 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.985 -4.540 2.068 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.273 -5.640 1.441 1.00 0.00 C ATOM 1164 C LEU A 80 -9.530 -6.925 2.231 1.00 0.00 C ATOM 1165 O LEU A 80 -9.829 -7.967 1.649 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.789 -5.300 1.287 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.340 -4.872 -0.112 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.900 -4.358 -0.092 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.531 -6.006 -1.120 1.00 0.00 C ATOM 0 H LEU A 80 -9.440 -4.013 2.751 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.645 -5.807 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.546 -4.500 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.205 -6.171 1.584 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.972 -4.045 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.606 -4.060 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.829 -3.499 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.237 -5.148 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.204 -5.675 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.941 -6.869 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.584 -6.283 -1.161 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.405 -6.808 3.545 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.621 -7.947 4.421 1.00 0.00 C ATOM 1183 C LYS A 81 -11.024 -8.509 4.184 1.00 0.00 C ATOM 1184 O LYS A 81 -11.193 -9.716 4.014 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.351 -7.562 5.877 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.857 -7.637 6.196 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.467 -6.592 7.243 1.00 0.00 C ATOM 1188 CE LYS A 81 -5.948 -6.417 7.305 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.526 -6.028 8.668 1.00 0.00 N ATOM 0 H LYS A 81 -9.157 -5.942 4.024 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.915 -8.744 4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.716 -6.552 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.902 -8.228 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.609 -8.633 6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.279 -7.478 5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.937 -5.638 7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.842 -6.894 8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.457 -7.347 7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.634 -5.656 6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.493 -5.914 8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.980 -5.129 8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.808 -6.767 9.343 1.00 0.00 H new ATOM 1203 N SER A 82 -11.995 -7.608 4.179 1.00 0.00 N ATOM 1204 CA SER A 82 -13.378 -7.999 3.965 1.00 0.00 C ATOM 1205 C SER A 82 -13.472 -8.964 2.782 1.00 0.00 C ATOM 1206 O SER A 82 -14.149 -9.988 2.864 1.00 0.00 O ATOM 1207 CB SER A 82 -14.265 -6.776 3.724 1.00 0.00 C ATOM 1208 OG SER A 82 -15.629 -7.034 4.044 1.00 0.00 O ATOM 0 H SER A 82 -11.851 -6.608 4.320 1.00 0.00 H new ATOM 0 HA SER A 82 -13.734 -8.501 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.903 -5.942 4.325 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.189 -6.473 2.680 1.00 0.00 H new ATOM 0 HG SER A 82 -16.162 -6.228 3.878 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.784 -8.604 1.709 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.781 -9.426 0.511 1.00 0.00 C ATOM 1216 C PHE A 83 -11.655 -10.460 0.558 1.00 0.00 C ATOM 1217 O PHE A 83 -10.935 -10.645 -0.422 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.545 -8.487 -0.675 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.623 -7.414 -0.842 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.938 -7.755 -0.774 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.266 -6.120 -1.060 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.938 -6.759 -0.930 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.267 -5.124 -1.216 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.582 -5.465 -1.148 1.00 0.00 C ATOM 0 H PHE A 83 -12.224 -7.754 1.644 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.727 -9.961 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.578 -8.000 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.491 -9.079 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.221 -8.783 -0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.222 -5.850 -1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.982 -7.030 -0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.984 -4.096 -1.389 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.343 -4.708 -1.267 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.538 -11.109 1.708 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.512 -12.120 1.896 1.00 0.00 C ATOM 1236 C GLY A 84 -10.901 -13.430 1.207 1.00 0.00 C ATOM 1237 O GLY A 84 -12.019 -13.915 1.373 1.00 0.00 O ATOM 0 H GLY A 84 -12.137 -10.954 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.564 -11.761 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.360 -12.296 2.961 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.956 -13.966 0.448 1.00 0.00 N ATOM 1242 CA GLY A 85 -10.186 -15.210 -0.266 1.00 0.00 C ATOM 1243 C GLY A 85 -11.297 -15.049 -1.305 1.00 0.00 C ATOM 1244 O GLY A 85 -11.995 -16.009 -1.627 1.00 0.00 O ATOM 0 H GLY A 85 -9.030 -13.561 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.266 -15.526 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.455 -15.995 0.441 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.427 -13.827 -1.801 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.442 -13.528 -2.797 1.00 0.00 C ATOM 1250 C GLU A 86 -11.836 -12.719 -3.946 1.00 0.00 C ATOM 1251 O GLU A 86 -11.227 -11.674 -3.721 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.624 -12.786 -2.169 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.257 -13.613 -1.048 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.784 -13.579 -1.137 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.331 -14.448 -1.849 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.370 -12.684 -0.490 1.00 0.00 O ATOM 0 H GLU A 86 -10.846 -13.033 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.817 -14.469 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.288 -11.828 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.371 -12.571 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.908 -14.644 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.937 -13.226 -0.081 1.00 0.00 H new ATOM 1263 N GLU A 87 -12.022 -13.235 -5.152 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.501 -12.574 -6.337 1.00 0.00 C ATOM 1265 C GLU A 87 -12.144 -11.195 -6.502 1.00 0.00 C ATOM 1266 O GLU A 87 -13.337 -11.092 -6.784 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.719 -13.433 -7.584 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.469 -13.446 -8.466 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.388 -14.737 -9.283 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -11.211 -14.872 -10.215 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -9.506 -15.560 -8.958 1.00 0.00 O ATOM 0 H GLU A 87 -12.526 -14.103 -5.334 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.427 -12.440 -6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.971 -14.452 -7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.565 -13.047 -8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.484 -12.587 -9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.579 -13.349 -7.844 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.325 -10.170 -6.318 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.798 -8.802 -6.443 1.00 0.00 C ATOM 1280 C VAL A 88 -11.048 -8.109 -7.582 1.00 0.00 C ATOM 1281 O VAL A 88 -10.132 -8.685 -8.167 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.655 -8.075 -5.104 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.284 -8.887 -3.970 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.189 -7.760 -4.805 1.00 0.00 C ATOM 0 H VAL A 88 -10.336 -10.260 -6.083 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.858 -8.786 -6.695 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.192 -7.129 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.169 -8.348 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.344 -9.037 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.788 -9.855 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.116 -7.243 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.619 -8.688 -4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.786 -7.124 -5.593 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.465 -6.883 -7.863 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.844 -6.106 -8.922 1.00 0.00 C ATOM 1296 C GLU A 89 -10.247 -4.817 -8.354 1.00 0.00 C ATOM 1297 O GLU A 89 -10.970 -3.857 -8.091 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.845 -5.801 -10.038 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.234 -6.076 -11.413 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.319 -6.409 -12.439 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.085 -5.480 -12.776 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.357 -7.584 -12.863 1.00 0.00 O ATOM 0 H GLU A 89 -12.225 -6.409 -7.376 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.037 -6.698 -9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.739 -6.410 -9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.157 -4.758 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.670 -5.204 -11.745 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.529 -6.904 -11.342 1.00 0.00 H new ATOM 1309 N MET A 90 -8.933 -4.837 -8.181 1.00 0.00 N ATOM 1310 CA MET A 90 -8.231 -3.681 -7.649 1.00 0.00 C ATOM 1311 C MET A 90 -7.737 -2.773 -8.776 1.00 0.00 C ATOM 1312 O MET A 90 -7.236 -3.253 -9.792 1.00 0.00 O ATOM 1313 CB MET A 90 -7.039 -4.149 -6.811 1.00 0.00 C ATOM 1314 CG MET A 90 -6.280 -2.957 -6.224 1.00 0.00 C ATOM 1315 SD MET A 90 -5.362 -3.469 -4.782 1.00 0.00 S ATOM 1316 CE MET A 90 -4.332 -4.736 -5.503 1.00 0.00 C ATOM 0 H MET A 90 -8.337 -5.635 -8.400 1.00 0.00 H new ATOM 0 HA MET A 90 -8.923 -3.113 -7.028 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.388 -4.795 -6.005 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.367 -4.744 -7.429 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.601 -2.544 -6.970 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.980 -2.165 -5.958 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.254 -5.577 -4.814 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.774 -5.075 -6.440 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.338 -4.331 -5.696 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.896 -1.475 -8.560 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.473 -0.495 -9.546 1.00 0.00 C ATOM 1328 C LYS A 91 -6.332 0.344 -8.967 1.00 0.00 C ATOM 1329 O LYS A 91 -6.389 0.763 -7.811 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.666 0.336 -10.022 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.354 -0.328 -11.217 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.696 -0.939 -10.807 1.00 0.00 C ATOM 1333 CE LYS A 91 -10.902 -2.303 -11.469 1.00 0.00 C ATOM 1334 NZ LYS A 91 -11.259 -2.138 -12.896 1.00 0.00 N ATOM 0 H LYS A 91 -8.312 -1.080 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.085 -0.992 -10.435 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.380 0.455 -9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.330 1.335 -10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.511 0.408 -12.006 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.708 -1.103 -11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.734 -1.047 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.507 -0.267 -11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.992 -2.897 -11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.690 -2.850 -10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.395 -3.073 -13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.139 -1.589 -12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.494 -1.635 -13.389 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.323 0.565 -9.796 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.170 1.346 -9.381 1.00 0.00 C ATOM 1350 C VAL A 92 -3.797 2.327 -10.494 1.00 0.00 C ATOM 1351 O VAL A 92 -4.042 2.061 -11.669 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.019 0.416 -8.993 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.346 -0.356 -7.712 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.677 -0.540 -10.137 1.00 0.00 C ATOM 0 H VAL A 92 -5.280 0.217 -10.754 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.407 1.934 -8.495 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.141 1.032 -8.798 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.512 -1.010 -7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.517 0.347 -6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.243 -0.956 -7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.856 -1.190 -9.835 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.550 -1.147 -10.378 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.381 0.034 -11.015 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.210 3.442 -10.084 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.800 4.464 -11.032 1.00 0.00 C ATOM 1366 C VAL A 93 -1.374 4.913 -10.707 1.00 0.00 C ATOM 1367 O VAL A 93 -1.004 5.020 -9.539 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.805 5.617 -11.025 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -4.973 5.332 -11.972 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.305 5.901 -9.607 1.00 0.00 C ATOM 0 H VAL A 93 -3.009 3.660 -9.108 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.792 4.063 -12.046 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.293 6.510 -11.384 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.673 6.167 -11.948 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.596 5.204 -12.987 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.483 4.422 -11.657 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.018 6.725 -9.631 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.792 5.011 -9.208 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.462 6.169 -8.971 1.00 0.00 H new ATOM 1380 N SER A 94 -0.612 5.164 -11.761 1.00 0.00 N ATOM 1381 CA SER A 94 0.766 5.599 -11.602 1.00 0.00 C ATOM 1382 C SER A 94 0.826 7.125 -11.512 1.00 0.00 C ATOM 1383 O SER A 94 0.096 7.821 -12.215 1.00 0.00 O ATOM 1384 CB SER A 94 1.637 5.101 -12.758 1.00 0.00 C ATOM 1385 OG SER A 94 1.254 3.800 -13.193 1.00 0.00 O ATOM 0 H SER A 94 -0.922 5.075 -12.729 1.00 0.00 H new ATOM 0 HA SER A 94 1.155 5.171 -10.678 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.565 5.798 -13.593 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.681 5.086 -12.445 1.00 0.00 H new ATOM 0 HG SER A 94 1.832 3.519 -13.933 1.00 0.00 H new ATOM 1391 N LEU A 95 1.702 7.600 -10.639 1.00 0.00 N ATOM 1392 CA LEU A 95 1.867 9.031 -10.447 1.00 0.00 C ATOM 1393 C LEU A 95 2.978 9.540 -11.367 1.00 0.00 C ATOM 1394 O LEU A 95 4.078 8.989 -11.381 1.00 0.00 O ATOM 1395 CB LEU A 95 2.098 9.350 -8.969 1.00 0.00 C ATOM 1396 CG LEU A 95 2.545 10.779 -8.653 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.448 11.786 -9.004 1.00 0.00 C ATOM 1398 CD2 LEU A 95 2.993 10.903 -7.195 1.00 0.00 C ATOM 0 H LEU A 95 2.305 7.019 -10.057 1.00 0.00 H new ATOM 0 HA LEU A 95 0.955 9.560 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.174 9.151 -8.426 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.849 8.662 -8.582 1.00 0.00 H new ATOM 0 HG LEU A 95 3.408 11.013 -9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.791 12.794 -8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.219 11.719 -10.068 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.552 11.564 -8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.306 11.928 -6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.165 10.642 -6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.828 10.227 -7.012 1.00 0.00 H new ATOM 1410 N LEU A 96 2.652 10.585 -12.113 1.00 0.00 N ATOM 1411 CA LEU A 96 3.609 11.174 -13.034 1.00 0.00 C ATOM 1412 C LEU A 96 4.124 12.493 -12.453 1.00 0.00 C ATOM 1413 O LEU A 96 3.979 12.748 -11.259 1.00 0.00 O ATOM 1414 CB LEU A 96 2.994 11.315 -14.428 1.00 0.00 C ATOM 1415 CG LEU A 96 2.297 10.071 -14.983 1.00 0.00 C ATOM 1416 CD1 LEU A 96 3.109 8.809 -14.684 1.00 0.00 C ATOM 1417 CD2 LEU A 96 0.863 9.967 -14.459 1.00 0.00 C ATOM 0 H LEU A 96 1.739 11.039 -12.099 1.00 0.00 H new ATOM 0 HA LEU A 96 4.472 10.520 -13.156 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.272 12.131 -14.404 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.782 11.606 -15.123 1.00 0.00 H new ATOM 0 HG LEU A 96 2.238 10.167 -16.067 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.592 7.939 -15.089 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.094 8.892 -15.144 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.221 8.695 -13.606 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.390 9.074 -14.868 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.877 9.904 -13.371 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.299 10.849 -14.764 1.00 0.00 H new