USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 636 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 68 CYS SG : rot 180:sc= 0.0743 USER MOD Set 1.2: A 76 TYR OH : rot -67:sc= -0.271 USER MOD Set 2.1: A 49 SER OG : rot 150:sc= 0.993 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -5.44! C(o=-4.4!,f=-18!) USER MOD Set 3.1: A 15 LYS NZ :NH3+ -118:sc= -0.71! (180deg=0.654) USER MOD Set 3.2: A 17 MET CE :methyl -158:sc= -0.506 (180deg=-0.389) USER MOD Set 3.3: A 21 GLN :FLIP amide:sc= -0.489 F(o=-5.7,f=-3.6) USER MOD Set 3.4: A 24 GLN : amide:sc= -1.94! C(o=-3.6!,f=-5.2!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -60:sc= -0.31 USER MOD Single : A 16 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-3.4!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= -1.05 (180deg=-1.2) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -139:sc= 0.439 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -140:sc=-0.00814 (180deg=-0.196) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.52! USER MOD Single : A 53 LYS NZ :NH3+ -119:sc= -0.0241 (180deg=-0.239) USER MOD Single : A 54 SER OG : rot -67:sc= 0.423 USER MOD Single : A 55 THR OG1 : rot 20:sc= 0.109 USER MOD Single : A 59 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.2!) USER MOD Single : A 65 TYR OH : rot -130:sc= -0.204 USER MOD Single : A 69 SER OG : rot -144:sc= -5.61! USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.61! USER MOD Single : A 72 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.075) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -6.08! C(o=-6.1!,f=-11!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -1.65 K(o=-1.6,f=-3.2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -54:sc= -0.15! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N GLU A 11 -3.662 3.135 -12.047 1.00 0.00 N ATOM 151 CA GLU A 11 -4.319 3.945 -10.978 1.00 0.00 C ATOM 152 C GLU A 11 -3.662 3.668 -9.625 1.00 0.00 C ATOM 153 O GLU A 11 -3.383 4.567 -8.860 1.00 0.00 O ATOM 154 CB GLU A 11 -5.774 3.472 -10.953 1.00 0.00 C ATOM 155 CG GLU A 11 -6.687 4.631 -10.558 1.00 0.00 C ATOM 156 CD GLU A 11 -7.135 5.381 -11.814 1.00 0.00 C ATOM 157 OE1 GLU A 11 -6.327 5.518 -12.718 1.00 0.00 O ATOM 158 OE2 GLU A 11 -8.278 5.807 -11.850 1.00 0.00 O ATOM 0 HA GLU A 11 -4.235 5.015 -11.170 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.059 3.090 -11.933 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.887 2.650 -10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.556 4.255 -10.017 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.161 5.309 -9.885 1.00 0.00 H new ATOM 165 N TRP A 12 -3.435 2.418 -9.326 1.00 0.00 N ATOM 166 CA TRP A 12 -2.820 2.048 -8.016 1.00 0.00 C ATOM 167 C TRP A 12 -1.503 2.789 -7.776 1.00 0.00 C ATOM 168 O TRP A 12 -1.033 2.872 -6.661 1.00 0.00 O ATOM 169 CB TRP A 12 -2.569 0.539 -8.106 1.00 0.00 C ATOM 170 CG TRP A 12 -1.688 0.241 -9.279 1.00 0.00 C ATOM 171 CD1 TRP A 12 -2.121 -0.180 -10.489 1.00 0.00 C ATOM 172 CD2 TRP A 12 -0.236 0.333 -9.372 1.00 0.00 C ATOM 173 NE1 TRP A 12 -1.028 -0.352 -11.319 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.156 -0.050 -10.678 1.00 0.00 C ATOM 175 CE3 TRP A 12 0.769 0.706 -8.461 1.00 0.00 C ATOM 176 CZ2 TRP A 12 1.497 -0.062 -11.064 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.120 0.695 -8.848 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.482 0.312 -10.148 1.00 0.00 C ATOM 0 H TRP A 12 -3.650 1.630 -9.937 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.473 2.317 -7.186 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.101 0.184 -7.188 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.516 0.009 -8.207 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.151 -0.353 -10.762 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -1.090 -0.664 -12.288 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.501 1.003 -7.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 1.771 -0.359 -12.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.884 0.983 -8.141 1.00 0.00 H new ATOM 0 HH2 TRP A 12 3.522 0.306 -10.440 1.00 0.00 H new ATOM 189 N TYR A 13 -0.892 3.319 -8.799 1.00 0.00 N ATOM 190 CA TYR A 13 0.404 4.032 -8.585 1.00 0.00 C ATOM 191 C TYR A 13 0.167 5.475 -8.132 1.00 0.00 C ATOM 192 O TYR A 13 -0.673 6.176 -8.662 1.00 0.00 O ATOM 193 CB TYR A 13 1.115 4.011 -9.937 1.00 0.00 C ATOM 194 CG TYR A 13 2.512 4.554 -9.759 1.00 0.00 C ATOM 195 CD1 TYR A 13 2.717 5.935 -9.660 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.600 3.677 -9.680 1.00 0.00 C ATOM 197 CE1 TYR A 13 4.011 6.440 -9.483 1.00 0.00 C ATOM 198 CE2 TYR A 13 4.894 4.181 -9.504 1.00 0.00 C ATOM 199 CZ TYR A 13 5.100 5.563 -9.406 1.00 0.00 C ATOM 200 OH TYR A 13 6.375 6.061 -9.231 1.00 0.00 O ATOM 0 H TYR A 13 -1.226 3.292 -9.762 1.00 0.00 H new ATOM 0 HA TYR A 13 0.996 3.551 -7.806 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.152 2.994 -10.328 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.566 4.612 -10.662 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.877 6.611 -9.720 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.441 2.611 -9.755 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.169 7.506 -9.406 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.734 3.504 -9.444 1.00 0.00 H new ATOM 0 HH TYR A 13 7.014 5.319 -9.197 1.00 0.00 H new ATOM 210 N SER A 14 0.915 5.920 -7.157 1.00 0.00 N ATOM 211 CA SER A 14 0.758 7.318 -6.658 1.00 0.00 C ATOM 212 C SER A 14 2.130 7.888 -6.286 1.00 0.00 C ATOM 213 O SER A 14 2.914 7.249 -5.613 1.00 0.00 O ATOM 214 CB SER A 14 -0.131 7.210 -5.421 1.00 0.00 C ATOM 215 OG SER A 14 -1.096 6.183 -5.619 1.00 0.00 O ATOM 0 H SER A 14 1.632 5.372 -6.682 1.00 0.00 H new ATOM 0 HA SER A 14 0.322 7.980 -7.406 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.475 6.990 -4.542 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.629 8.161 -5.234 1.00 0.00 H new ATOM 0 HG SER A 14 -1.649 6.399 -6.399 1.00 0.00 H new ATOM 221 N LYS A 15 2.430 9.075 -6.735 1.00 0.00 N ATOM 222 CA LYS A 15 3.762 9.678 -6.425 1.00 0.00 C ATOM 223 C LYS A 15 3.857 10.140 -4.955 1.00 0.00 C ATOM 224 O LYS A 15 3.486 11.234 -4.594 1.00 0.00 O ATOM 225 CB LYS A 15 3.922 10.841 -7.426 1.00 0.00 C ATOM 226 CG LYS A 15 3.240 12.123 -6.927 1.00 0.00 C ATOM 227 CD LYS A 15 1.805 11.818 -6.493 1.00 0.00 C ATOM 228 CE LYS A 15 1.281 12.960 -5.620 1.00 0.00 C ATOM 229 NZ LYS A 15 1.374 12.438 -4.227 1.00 0.00 N ATOM 0 H LYS A 15 1.813 9.655 -7.303 1.00 0.00 H new ATOM 0 HA LYS A 15 4.570 8.955 -6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.982 11.034 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.496 10.554 -8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.800 12.541 -6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.238 12.874 -7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.168 11.694 -7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.773 10.879 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.879 13.863 -5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.254 13.219 -5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.423 12.395 -3.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.790 11.485 -4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.974 13.070 -3.659 1.00 0.00 H new ATOM 243 N HIS A 16 4.371 9.298 -4.106 1.00 0.00 N ATOM 244 CA HIS A 16 4.519 9.657 -2.665 1.00 0.00 C ATOM 245 C HIS A 16 3.161 10.006 -2.056 1.00 0.00 C ATOM 246 O HIS A 16 2.988 11.045 -1.448 1.00 0.00 O ATOM 247 CB HIS A 16 5.452 10.870 -2.637 1.00 0.00 C ATOM 248 CG HIS A 16 6.755 10.524 -3.308 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.034 10.894 -4.613 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.863 9.845 -2.865 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.265 10.441 -4.909 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.816 9.794 -3.878 1.00 0.00 N ATOM 0 H HIS A 16 4.700 8.364 -4.350 1.00 0.00 H new ATOM 0 HA HIS A 16 4.920 8.828 -2.082 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.983 11.713 -3.144 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.633 11.178 -1.607 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.978 9.416 -1.881 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.749 10.583 -5.864 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.737 9.357 -3.841 1.00 0.00 H new ATOM 260 N MET A 17 2.198 9.139 -2.208 1.00 0.00 N ATOM 261 CA MET A 17 0.850 9.412 -1.630 1.00 0.00 C ATOM 262 C MET A 17 0.855 9.077 -0.137 1.00 0.00 C ATOM 263 O MET A 17 1.147 7.966 0.260 1.00 0.00 O ATOM 264 CB MET A 17 -0.106 8.488 -2.389 1.00 0.00 C ATOM 265 CG MET A 17 -1.535 8.692 -1.876 1.00 0.00 C ATOM 266 SD MET A 17 -2.560 9.410 -3.185 1.00 0.00 S ATOM 267 CE MET A 17 -1.732 11.016 -3.266 1.00 0.00 C ATOM 0 H MET A 17 2.285 8.254 -2.707 1.00 0.00 H new ATOM 0 HA MET A 17 0.556 10.457 -1.726 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.059 8.698 -3.457 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.194 7.449 -2.255 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.955 7.739 -1.554 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.529 9.348 -1.005 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.406 11.751 -3.705 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.454 11.333 -2.261 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.836 10.933 -3.881 1.00 0.00 H new ATOM 277 N THR A 18 0.545 10.037 0.693 1.00 0.00 N ATOM 278 CA THR A 18 0.543 9.793 2.168 1.00 0.00 C ATOM 279 C THR A 18 -0.295 8.561 2.524 1.00 0.00 C ATOM 280 O THR A 18 -1.348 8.327 1.964 1.00 0.00 O ATOM 281 CB THR A 18 -0.081 11.049 2.773 1.00 0.00 C ATOM 282 OG1 THR A 18 0.495 12.200 2.171 1.00 0.00 O ATOM 283 CG2 THR A 18 0.182 11.070 4.277 1.00 0.00 C ATOM 0 H THR A 18 0.292 10.985 0.413 1.00 0.00 H new ATOM 0 HA THR A 18 1.548 9.602 2.545 1.00 0.00 H new ATOM 0 HB THR A 18 -1.156 11.047 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.094 13.007 2.557 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.262 11.965 4.712 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.260 10.186 4.736 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.257 11.074 4.458 1.00 0.00 H new ATOM 291 N ARG A 19 0.167 7.778 3.467 1.00 0.00 N ATOM 292 CA ARG A 19 -0.594 6.561 3.889 1.00 0.00 C ATOM 293 C ARG A 19 -2.042 6.934 4.200 1.00 0.00 C ATOM 294 O ARG A 19 -2.973 6.199 3.920 1.00 0.00 O ATOM 295 CB ARG A 19 0.109 6.088 5.167 1.00 0.00 C ATOM 296 CG ARG A 19 -0.122 7.108 6.297 1.00 0.00 C ATOM 297 CD ARG A 19 0.762 6.752 7.495 1.00 0.00 C ATOM 298 NE ARG A 19 -0.012 7.195 8.687 1.00 0.00 N ATOM 299 CZ ARG A 19 0.611 7.505 9.791 1.00 0.00 C ATOM 300 NH1 ARG A 19 1.657 8.284 9.752 1.00 0.00 N ATOM 301 NH2 ARG A 19 0.189 7.036 10.933 1.00 0.00 N ATOM 0 H ARG A 19 1.044 7.930 3.966 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.613 5.793 3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.273 5.111 5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.177 5.970 4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.110 8.114 5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.171 7.108 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.966 5.682 7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.726 7.258 7.439 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.029 7.256 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.987 8.650 8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.144 8.527 10.614 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.628 6.427 10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.676 7.279 11.795 1.00 0.00 H new ATOM 315 N SER A 20 -2.222 8.076 4.791 1.00 0.00 N ATOM 316 CA SER A 20 -3.582 8.538 5.154 1.00 0.00 C ATOM 317 C SER A 20 -4.343 8.932 3.887 1.00 0.00 C ATOM 318 O SER A 20 -5.522 8.668 3.756 1.00 0.00 O ATOM 319 CB SER A 20 -3.329 9.728 6.079 1.00 0.00 C ATOM 320 OG SER A 20 -4.099 10.848 5.657 1.00 0.00 O ATOM 0 H SER A 20 -1.471 8.719 5.042 1.00 0.00 H new ATOM 0 HA SER A 20 -4.195 7.781 5.643 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.589 9.464 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.269 9.983 6.075 1.00 0.00 H new ATOM 0 HG SER A 20 -3.932 11.605 6.257 1.00 0.00 H new ATOM 326 N GLN A 21 -3.672 9.536 2.940 1.00 0.00 N ATOM 327 CA GLN A 21 -4.356 9.911 1.672 1.00 0.00 C ATOM 328 C GLN A 21 -4.878 8.647 1.001 1.00 0.00 C ATOM 329 O GLN A 21 -6.003 8.598 0.547 1.00 0.00 O ATOM 330 CB GLN A 21 -3.286 10.584 0.814 1.00 0.00 C ATOM 331 CG GLN A 21 -3.053 12.008 1.318 1.00 0.00 C ATOM 332 CD GLN A 21 -4.029 12.961 0.630 1.00 0.00 C ATOM 333 OE1 GLN A 21 -4.962 13.539 1.335 1.00 0.00 O flip ATOM 334 NE2 GLN A 21 -3.943 13.184 -0.561 1.00 0.00 N flip ATOM 0 H GLN A 21 -2.684 9.784 2.992 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.205 10.577 1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.358 10.014 0.858 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.600 10.603 -0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.190 12.049 2.399 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.027 12.313 1.115 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.214 12.733 -1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.600 13.823 -1.009 1.00 0.00 H new ATOM 343 N ALA A 22 -4.080 7.612 0.960 1.00 0.00 N ATOM 344 CA ALA A 22 -4.556 6.347 0.347 1.00 0.00 C ATOM 345 C ALA A 22 -5.739 5.839 1.158 1.00 0.00 C ATOM 346 O ALA A 22 -6.735 5.418 0.615 1.00 0.00 O ATOM 347 CB ALA A 22 -3.379 5.368 0.428 1.00 0.00 C ATOM 0 H ALA A 22 -3.127 7.592 1.323 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.878 6.471 -0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.669 4.413 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.529 5.775 -0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.101 5.219 1.471 1.00 0.00 H new ATOM 353 N GLU A 23 -5.640 5.898 2.459 1.00 0.00 N ATOM 354 CA GLU A 23 -6.766 5.437 3.322 1.00 0.00 C ATOM 355 C GLU A 23 -8.047 6.193 2.973 1.00 0.00 C ATOM 356 O GLU A 23 -9.067 5.599 2.677 1.00 0.00 O ATOM 357 CB GLU A 23 -6.339 5.770 4.752 1.00 0.00 C ATOM 358 CG GLU A 23 -5.486 4.634 5.317 1.00 0.00 C ATOM 359 CD GLU A 23 -5.987 4.260 6.714 1.00 0.00 C ATOM 360 OE1 GLU A 23 -6.380 5.157 7.441 1.00 0.00 O ATOM 361 OE2 GLU A 23 -5.969 3.081 7.032 1.00 0.00 O ATOM 0 H GLU A 23 -4.825 6.247 2.963 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.969 4.374 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.774 6.702 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.219 5.922 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.535 3.767 4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.441 4.940 5.364 1.00 0.00 H new ATOM 368 N GLN A 24 -8.012 7.499 3.022 1.00 0.00 N ATOM 369 CA GLN A 24 -9.240 8.279 2.711 1.00 0.00 C ATOM 370 C GLN A 24 -9.677 8.049 1.267 1.00 0.00 C ATOM 371 O GLN A 24 -10.837 7.783 1.015 1.00 0.00 O ATOM 372 CB GLN A 24 -8.894 9.751 2.964 1.00 0.00 C ATOM 373 CG GLN A 24 -7.728 10.193 2.078 1.00 0.00 C ATOM 374 CD GLN A 24 -7.337 11.630 2.433 1.00 0.00 C ATOM 375 OE1 GLN A 24 -7.317 12.494 1.580 1.00 0.00 O ATOM 376 NE2 GLN A 24 -7.027 11.922 3.667 1.00 0.00 N ATOM 0 H GLN A 24 -7.191 8.054 3.263 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.076 7.967 3.337 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.766 10.374 2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.634 9.893 4.013 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.877 9.527 2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.011 10.130 1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.044 11.195 4.383 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.768 12.877 3.915 1.00 0.00 H new ATOM 385 N LEU A 25 -8.790 8.129 0.306 1.00 0.00 N ATOM 386 CA LEU A 25 -9.252 7.885 -1.087 1.00 0.00 C ATOM 387 C LEU A 25 -9.600 6.408 -1.254 1.00 0.00 C ATOM 388 O LEU A 25 -10.392 6.048 -2.097 1.00 0.00 O ATOM 389 CB LEU A 25 -8.120 8.319 -2.024 1.00 0.00 C ATOM 390 CG LEU A 25 -6.875 7.459 -1.802 1.00 0.00 C ATOM 391 CD1 LEU A 25 -6.957 6.209 -2.683 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.629 8.271 -2.178 1.00 0.00 C ATOM 0 H LEU A 25 -7.800 8.345 0.422 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.151 8.454 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.447 8.234 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.879 9.368 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.815 7.160 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.070 5.595 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.846 5.636 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.013 6.505 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.738 7.663 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.689 8.565 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.574 9.163 -1.554 1.00 0.00 H new ATOM 404 N LEU A 26 -9.051 5.551 -0.429 1.00 0.00 N ATOM 405 CA LEU A 26 -9.406 4.109 -0.530 1.00 0.00 C ATOM 406 C LEU A 26 -10.804 3.922 0.060 1.00 0.00 C ATOM 407 O LEU A 26 -11.718 3.483 -0.609 1.00 0.00 O ATOM 408 CB LEU A 26 -8.368 3.354 0.306 1.00 0.00 C ATOM 409 CG LEU A 26 -7.219 2.866 -0.589 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.126 2.226 0.276 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.740 1.825 -1.586 1.00 0.00 C ATOM 0 H LEU A 26 -8.380 5.788 0.302 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.408 3.745 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.978 4.005 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.838 2.505 0.802 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.809 3.718 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.312 1.881 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.745 2.962 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.543 1.380 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.920 1.483 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.157 0.977 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.515 2.273 -2.208 1.00 0.00 H new ATOM 423 N LYS A 27 -10.980 4.280 1.310 1.00 0.00 N ATOM 424 CA LYS A 27 -12.323 4.150 1.947 1.00 0.00 C ATOM 425 C LYS A 27 -13.375 4.882 1.107 1.00 0.00 C ATOM 426 O LYS A 27 -14.457 4.379 0.874 1.00 0.00 O ATOM 427 CB LYS A 27 -12.174 4.816 3.317 1.00 0.00 C ATOM 428 CG LYS A 27 -12.875 3.966 4.381 1.00 0.00 C ATOM 429 CD LYS A 27 -13.991 4.784 5.029 1.00 0.00 C ATOM 430 CE LYS A 27 -15.139 3.853 5.424 1.00 0.00 C ATOM 431 NZ LYS A 27 -14.808 3.400 6.803 1.00 0.00 N ATOM 0 H LYS A 27 -10.249 4.656 1.914 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.646 3.112 2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.119 4.929 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.605 5.817 3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.286 3.064 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.158 3.645 5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.612 5.305 5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.348 5.546 4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.096 4.373 5.398 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.217 3.009 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.484 2.667 7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.845 3.009 6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.864 4.207 7.456 1.00 0.00 H new ATOM 445 N GLN A 28 -13.063 6.067 0.653 1.00 0.00 N ATOM 446 CA GLN A 28 -14.043 6.835 -0.171 1.00 0.00 C ATOM 447 C GLN A 28 -14.304 6.121 -1.504 1.00 0.00 C ATOM 448 O GLN A 28 -15.422 6.075 -1.980 1.00 0.00 O ATOM 449 CB GLN A 28 -13.391 8.199 -0.403 1.00 0.00 C ATOM 450 CG GLN A 28 -14.475 9.233 -0.722 1.00 0.00 C ATOM 451 CD GLN A 28 -14.957 9.885 0.577 1.00 0.00 C ATOM 452 OE1 GLN A 28 -14.196 10.542 1.259 1.00 0.00 O ATOM 453 NE2 GLN A 28 -16.199 9.731 0.948 1.00 0.00 N ATOM 0 H GLN A 28 -12.172 6.536 0.817 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.009 6.928 0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.832 8.503 0.482 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.678 8.138 -1.225 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.081 9.992 -1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.310 8.754 -1.233 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.838 9.179 0.375 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.531 10.162 1.811 1.00 0.00 H new ATOM 462 N GLU A 29 -13.289 5.548 -2.105 1.00 0.00 N ATOM 463 CA GLU A 29 -13.496 4.822 -3.399 1.00 0.00 C ATOM 464 C GLU A 29 -14.582 3.767 -3.201 1.00 0.00 C ATOM 465 O GLU A 29 -15.401 3.529 -4.067 1.00 0.00 O ATOM 466 CB GLU A 29 -12.146 4.171 -3.731 1.00 0.00 C ATOM 467 CG GLU A 29 -12.055 3.894 -5.235 1.00 0.00 C ATOM 468 CD GLU A 29 -11.492 5.125 -5.948 1.00 0.00 C ATOM 469 OE1 GLU A 29 -10.653 5.791 -5.363 1.00 0.00 O ATOM 470 OE2 GLU A 29 -11.908 5.380 -7.066 1.00 0.00 O ATOM 0 H GLU A 29 -12.330 5.551 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.815 5.479 -4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.331 4.826 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.034 3.241 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.416 3.030 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.041 3.651 -5.631 1.00 0.00 H new ATOM 477 N GLY A 30 -14.603 3.151 -2.049 1.00 0.00 N ATOM 478 CA GLY A 30 -15.643 2.131 -1.765 1.00 0.00 C ATOM 479 C GLY A 30 -15.388 0.872 -2.596 1.00 0.00 C ATOM 480 O GLY A 30 -16.297 0.133 -2.919 1.00 0.00 O ATOM 0 H GLY A 30 -13.940 3.314 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.639 1.882 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.630 2.533 -1.994 1.00 0.00 H new ATOM 484 N LYS A 31 -14.157 0.630 -2.947 1.00 0.00 N ATOM 485 CA LYS A 31 -13.822 -0.574 -3.766 1.00 0.00 C ATOM 486 C LYS A 31 -13.225 -1.678 -2.891 1.00 0.00 C ATOM 487 O LYS A 31 -12.132 -1.544 -2.379 1.00 0.00 O ATOM 488 CB LYS A 31 -12.772 -0.079 -4.760 1.00 0.00 C ATOM 489 CG LYS A 31 -13.293 1.176 -5.473 1.00 0.00 C ATOM 490 CD LYS A 31 -14.557 0.837 -6.268 1.00 0.00 C ATOM 491 CE LYS A 31 -14.233 -0.217 -7.330 1.00 0.00 C ATOM 492 NZ LYS A 31 -15.267 -0.032 -8.388 1.00 0.00 N ATOM 0 H LYS A 31 -13.360 1.218 -2.701 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.703 -0.995 -4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.841 0.146 -4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.550 -0.858 -5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.510 1.956 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.527 1.569 -6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.331 0.465 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.952 1.736 -6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.229 -0.077 -7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.272 -1.223 -6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.110 -0.721 -9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.212 -0.178 -7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.201 0.932 -8.773 1.00 0.00 H new ATOM 506 N GLU A 32 -13.916 -2.774 -2.720 1.00 0.00 N ATOM 507 CA GLU A 32 -13.349 -3.868 -1.879 1.00 0.00 C ATOM 508 C GLU A 32 -12.051 -4.387 -2.497 1.00 0.00 C ATOM 509 O GLU A 32 -12.054 -5.304 -3.295 1.00 0.00 O ATOM 510 CB GLU A 32 -14.398 -4.977 -1.834 1.00 0.00 C ATOM 511 CG GLU A 32 -14.839 -5.348 -3.255 1.00 0.00 C ATOM 512 CD GLU A 32 -16.359 -5.208 -3.376 1.00 0.00 C ATOM 513 OE1 GLU A 32 -17.041 -5.528 -2.417 1.00 0.00 O ATOM 514 OE2 GLU A 32 -16.813 -4.782 -4.426 1.00 0.00 O ATOM 0 H GLU A 32 -14.836 -2.958 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.116 -3.513 -0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.989 -5.854 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.259 -4.649 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.346 -4.701 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.539 -6.370 -3.484 1.00 0.00 H new ATOM 521 N GLY A 33 -10.940 -3.811 -2.124 1.00 0.00 N ATOM 522 CA GLY A 33 -9.642 -4.269 -2.673 1.00 0.00 C ATOM 523 C GLY A 33 -8.957 -3.144 -3.465 1.00 0.00 C ATOM 524 O GLY A 33 -8.218 -3.399 -4.388 1.00 0.00 O ATOM 0 H GLY A 33 -10.881 -3.040 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.993 -4.595 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.800 -5.132 -3.320 1.00 0.00 H new ATOM 528 N GLY A 34 -9.175 -1.905 -3.117 1.00 0.00 N ATOM 529 CA GLY A 34 -8.499 -0.809 -3.869 1.00 0.00 C ATOM 530 C GLY A 34 -6.996 -0.887 -3.603 1.00 0.00 C ATOM 531 O GLY A 34 -6.516 -0.462 -2.571 1.00 0.00 O ATOM 0 H GLY A 34 -9.784 -1.606 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.699 -0.904 -4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.888 0.160 -3.556 1.00 0.00 H new ATOM 535 N PHE A 35 -6.260 -1.450 -4.521 1.00 0.00 N ATOM 536 CA PHE A 35 -4.785 -1.594 -4.336 1.00 0.00 C ATOM 537 C PHE A 35 -4.039 -0.353 -4.841 1.00 0.00 C ATOM 538 O PHE A 35 -4.196 0.056 -5.975 1.00 0.00 O ATOM 539 CB PHE A 35 -4.429 -2.818 -5.183 1.00 0.00 C ATOM 540 CG PHE A 35 -2.952 -3.119 -5.075 1.00 0.00 C ATOM 541 CD1 PHE A 35 -2.027 -2.333 -5.771 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.513 -4.191 -4.292 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.659 -2.621 -5.684 1.00 0.00 C ATOM 544 CE2 PHE A 35 -1.146 -4.478 -4.202 1.00 0.00 C ATOM 545 CZ PHE A 35 -0.218 -3.692 -4.898 1.00 0.00 C ATOM 0 H PHE A 35 -6.619 -1.821 -5.401 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.505 -1.704 -3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.008 -3.680 -4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.695 -2.638 -6.225 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.368 -1.505 -6.375 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.229 -4.797 -3.757 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.055 -2.017 -6.223 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.807 -5.305 -3.596 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.837 -3.912 -4.828 1.00 0.00 H new ATOM 555 N ILE A 36 -3.219 0.240 -4.010 1.00 0.00 N ATOM 556 CA ILE A 36 -2.449 1.445 -4.442 1.00 0.00 C ATOM 557 C ILE A 36 -0.993 1.321 -3.983 1.00 0.00 C ATOM 558 O ILE A 36 -0.662 0.483 -3.168 1.00 0.00 O ATOM 559 CB ILE A 36 -3.125 2.631 -3.755 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.611 2.660 -4.132 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.453 3.930 -4.210 1.00 0.00 C ATOM 562 CD1 ILE A 36 -5.278 3.897 -3.524 1.00 0.00 C ATOM 0 H ILE A 36 -3.050 -0.059 -3.050 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.441 1.561 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.029 2.532 -2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.720 2.673 -5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.104 1.757 -3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.933 4.778 -3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.397 3.907 -3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.550 4.031 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.334 3.912 -3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.183 3.865 -2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.793 4.796 -3.904 1.00 0.00 H new ATOM 574 N VAL A 37 -0.123 2.148 -4.496 1.00 0.00 N ATOM 575 CA VAL A 37 1.310 2.079 -4.084 1.00 0.00 C ATOM 576 C VAL A 37 1.951 3.465 -4.169 1.00 0.00 C ATOM 577 O VAL A 37 1.443 4.354 -4.825 1.00 0.00 O ATOM 578 CB VAL A 37 1.977 1.125 -5.077 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.458 0.973 -4.721 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.299 -0.246 -5.012 1.00 0.00 C ATOM 0 H VAL A 37 -0.342 2.869 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 37 1.420 1.734 -3.056 1.00 0.00 H new ATOM 0 HB VAL A 37 1.880 1.530 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.934 0.293 -5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.946 1.947 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.550 0.570 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.777 -0.922 -5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.393 -0.651 -4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.244 -0.142 -5.265 1.00 0.00 H new ATOM 590 N ARG A 38 3.067 3.657 -3.516 1.00 0.00 N ATOM 591 CA ARG A 38 3.741 4.990 -3.569 1.00 0.00 C ATOM 592 C ARG A 38 5.219 4.863 -3.191 1.00 0.00 C ATOM 593 O ARG A 38 5.629 3.915 -2.551 1.00 0.00 O ATOM 594 CB ARG A 38 3.002 5.860 -2.551 1.00 0.00 C ATOM 595 CG ARG A 38 3.054 5.207 -1.165 1.00 0.00 C ATOM 596 CD ARG A 38 4.301 5.688 -0.422 1.00 0.00 C ATOM 597 NE ARG A 38 3.872 5.828 0.998 1.00 0.00 N ATOM 598 CZ ARG A 38 4.469 6.685 1.779 1.00 0.00 C ATOM 599 NH1 ARG A 38 5.767 6.646 1.919 1.00 0.00 N ATOM 600 NH2 ARG A 38 3.770 7.582 2.420 1.00 0.00 N ATOM 0 H ARG A 38 3.540 2.952 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 38 3.708 5.419 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.454 6.851 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.965 5.994 -2.860 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.159 5.461 -0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.072 4.122 -1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.119 4.974 -0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.658 6.637 -0.822 1.00 0.00 H new ATOM 0 HE ARG A 38 3.111 5.253 1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.313 5.946 1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.234 7.316 2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.756 7.613 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.237 8.252 3.031 1.00 0.00 H new ATOM 614 N ASP A 39 6.020 5.818 -3.587 1.00 0.00 N ATOM 615 CA ASP A 39 7.476 5.764 -3.256 1.00 0.00 C ATOM 616 C ASP A 39 7.725 6.315 -1.848 1.00 0.00 C ATOM 617 O ASP A 39 6.893 6.995 -1.280 1.00 0.00 O ATOM 618 CB ASP A 39 8.151 6.650 -4.304 1.00 0.00 C ATOM 619 CG ASP A 39 9.669 6.588 -4.123 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.174 7.303 -3.274 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.300 5.826 -4.837 1.00 0.00 O ATOM 0 H ASP A 39 5.729 6.634 -4.126 1.00 0.00 H new ATOM 0 HA ASP A 39 7.863 4.745 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.880 6.318 -5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.804 7.678 -4.204 1.00 0.00 H new ATOM 626 N SER A 40 8.867 6.024 -1.282 1.00 0.00 N ATOM 627 CA SER A 40 9.177 6.527 0.090 1.00 0.00 C ATOM 628 C SER A 40 10.254 7.618 0.026 1.00 0.00 C ATOM 629 O SER A 40 10.368 8.329 -0.954 1.00 0.00 O ATOM 630 CB SER A 40 9.689 5.304 0.848 1.00 0.00 C ATOM 631 OG SER A 40 9.842 5.634 2.222 1.00 0.00 O ATOM 0 H SER A 40 9.600 5.459 -1.711 1.00 0.00 H new ATOM 0 HA SER A 40 8.309 6.973 0.575 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.991 4.474 0.737 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.642 4.977 0.432 1.00 0.00 H new ATOM 0 HG SER A 40 10.669 5.234 2.564 1.00 0.00 H new ATOM 637 N SER A 41 11.042 7.758 1.061 1.00 0.00 N ATOM 638 CA SER A 41 12.106 8.805 1.055 1.00 0.00 C ATOM 639 C SER A 41 13.313 8.343 1.878 1.00 0.00 C ATOM 640 O SER A 41 14.417 8.251 1.377 1.00 0.00 O ATOM 641 CB SER A 41 11.457 10.031 1.694 1.00 0.00 C ATOM 642 OG SER A 41 12.080 11.207 1.192 1.00 0.00 O ATOM 0 H SER A 41 10.994 7.193 1.909 1.00 0.00 H new ATOM 0 HA SER A 41 12.472 9.015 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.390 10.048 1.473 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.558 9.987 2.778 1.00 0.00 H new ATOM 0 HG SER A 41 11.665 11.996 1.599 1.00 0.00 H new ATOM 648 N LYS A 42 13.110 8.051 3.136 1.00 0.00 N ATOM 649 CA LYS A 42 14.246 7.594 3.994 1.00 0.00 C ATOM 650 C LYS A 42 14.939 6.386 3.356 1.00 0.00 C ATOM 651 O LYS A 42 16.061 6.472 2.898 1.00 0.00 O ATOM 652 CB LYS A 42 13.604 7.199 5.325 1.00 0.00 C ATOM 653 CG LYS A 42 13.442 8.442 6.207 1.00 0.00 C ATOM 654 CD LYS A 42 14.278 8.283 7.479 1.00 0.00 C ATOM 655 CE LYS A 42 13.531 8.899 8.664 1.00 0.00 C ATOM 656 NZ LYS A 42 14.118 10.260 8.820 1.00 0.00 N ATOM 0 H LYS A 42 12.207 8.109 3.607 1.00 0.00 H new ATOM 0 HA LYS A 42 15.004 8.367 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.633 6.737 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.222 6.458 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.758 9.331 5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.392 8.583 6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.474 7.228 7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.246 8.769 7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.459 8.950 8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.665 8.305 9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.657 10.748 9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.138 10.179 9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.969 10.804 7.946 1.00 0.00 H new ATOM 670 N ALA A 43 14.274 5.263 3.319 1.00 0.00 N ATOM 671 CA ALA A 43 14.886 4.047 2.705 1.00 0.00 C ATOM 672 C ALA A 43 14.662 4.051 1.197 1.00 0.00 C ATOM 673 O ALA A 43 15.267 3.289 0.468 1.00 0.00 O ATOM 674 CB ALA A 43 14.142 2.864 3.326 1.00 0.00 C ATOM 0 H ALA A 43 13.332 5.134 3.688 1.00 0.00 H new ATOM 0 HA ALA A 43 15.961 4.002 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.538 1.932 2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.277 2.877 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.080 2.939 3.092 1.00 0.00 H new ATOM 680 N GLY A 44 13.767 4.873 0.726 1.00 0.00 N ATOM 681 CA GLY A 44 13.476 4.887 -0.729 1.00 0.00 C ATOM 682 C GLY A 44 12.728 3.597 -1.058 1.00 0.00 C ATOM 683 O GLY A 44 12.823 3.066 -2.147 1.00 0.00 O ATOM 0 H GLY A 44 13.227 5.533 1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.874 5.757 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.399 4.953 -1.304 1.00 0.00 H new ATOM 687 N LYS A 45 11.990 3.087 -0.104 1.00 0.00 N ATOM 688 CA LYS A 45 11.238 1.825 -0.330 1.00 0.00 C ATOM 689 C LYS A 45 9.849 2.137 -0.893 1.00 0.00 C ATOM 690 O LYS A 45 9.485 3.285 -1.058 1.00 0.00 O ATOM 691 CB LYS A 45 11.126 1.176 1.052 1.00 0.00 C ATOM 692 CG LYS A 45 10.300 2.067 1.990 1.00 0.00 C ATOM 693 CD LYS A 45 11.188 2.593 3.120 1.00 0.00 C ATOM 694 CE LYS A 45 10.310 3.078 4.275 1.00 0.00 C ATOM 695 NZ LYS A 45 9.941 1.845 5.024 1.00 0.00 N ATOM 0 H LYS A 45 11.879 3.496 0.824 1.00 0.00 H new ATOM 0 HA LYS A 45 11.733 1.169 -1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.658 0.195 0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.120 1.019 1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.873 2.901 1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.466 1.500 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.860 1.807 3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.812 3.409 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.848 3.780 4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.424 3.596 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.947 1.905 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.069 1.015 4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.549 1.753 5.862 1.00 0.00 H new ATOM 709 N TYR A 46 9.067 1.131 -1.180 1.00 0.00 N ATOM 710 CA TYR A 46 7.701 1.386 -1.728 1.00 0.00 C ATOM 711 C TYR A 46 6.637 0.933 -0.720 1.00 0.00 C ATOM 712 O TYR A 46 6.892 0.105 0.136 1.00 0.00 O ATOM 713 CB TYR A 46 7.605 0.552 -3.016 1.00 0.00 C ATOM 714 CG TYR A 46 8.803 0.802 -3.916 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.502 2.015 -3.852 1.00 0.00 C ATOM 716 CD2 TYR A 46 9.212 -0.187 -4.820 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.604 2.237 -4.685 1.00 0.00 C ATOM 718 CE2 TYR A 46 10.314 0.034 -5.653 1.00 0.00 C ATOM 719 CZ TYR A 46 11.011 1.246 -5.586 1.00 0.00 C ATOM 720 OH TYR A 46 12.098 1.464 -6.407 1.00 0.00 O ATOM 0 H TYR A 46 9.312 0.148 -1.060 1.00 0.00 H new ATOM 0 HA TYR A 46 7.535 2.445 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.549 -0.507 -2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.687 0.802 -3.548 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.189 2.781 -3.158 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.675 -1.123 -4.874 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.141 3.173 -4.633 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.627 -0.731 -6.348 1.00 0.00 H new ATOM 0 HH TYR A 46 12.246 0.676 -6.970 1.00 0.00 H new ATOM 730 N THR A 47 5.445 1.461 -0.822 1.00 0.00 N ATOM 731 CA THR A 47 4.359 1.055 0.120 1.00 0.00 C ATOM 732 C THR A 47 3.113 0.665 -0.673 1.00 0.00 C ATOM 733 O THR A 47 2.706 1.363 -1.580 1.00 0.00 O ATOM 734 CB THR A 47 4.080 2.290 0.988 1.00 0.00 C ATOM 735 OG1 THR A 47 5.228 2.579 1.776 1.00 0.00 O ATOM 736 CG2 THR A 47 2.880 2.023 1.910 1.00 0.00 C ATOM 0 H THR A 47 5.176 2.157 -1.518 1.00 0.00 H new ATOM 0 HA THR A 47 4.642 0.197 0.730 1.00 0.00 H new ATOM 0 HB THR A 47 3.852 3.139 0.343 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.054 3.368 2.330 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.689 2.904 2.523 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.000 1.802 1.307 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.099 1.173 2.556 1.00 0.00 H new ATOM 744 N VAL A 48 2.509 -0.446 -0.340 1.00 0.00 N ATOM 745 CA VAL A 48 1.288 -0.884 -1.081 1.00 0.00 C ATOM 746 C VAL A 48 0.030 -0.618 -0.245 1.00 0.00 C ATOM 747 O VAL A 48 -0.226 -1.285 0.737 1.00 0.00 O ATOM 748 CB VAL A 48 1.483 -2.384 -1.305 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.288 -2.950 -2.068 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.761 -2.619 -2.115 1.00 0.00 C ATOM 0 H VAL A 48 2.807 -1.068 0.411 1.00 0.00 H new ATOM 0 HA VAL A 48 1.157 -0.345 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 48 1.566 -2.884 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.430 -4.019 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.622 -2.786 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.202 -2.449 -3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.899 -3.688 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.679 -2.116 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.616 -2.220 -1.569 1.00 0.00 H new ATOM 760 N SER A 49 -0.752 0.357 -0.631 1.00 0.00 N ATOM 761 CA SER A 49 -1.995 0.683 0.133 1.00 0.00 C ATOM 762 C SER A 49 -3.200 -0.064 -0.448 1.00 0.00 C ATOM 763 O SER A 49 -3.653 0.234 -1.533 1.00 0.00 O ATOM 764 CB SER A 49 -2.177 2.190 -0.054 1.00 0.00 C ATOM 765 OG SER A 49 -1.359 2.881 0.881 1.00 0.00 O ATOM 0 H SER A 49 -0.583 0.945 -1.447 1.00 0.00 H new ATOM 0 HA SER A 49 -1.918 0.393 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.909 2.477 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.223 2.462 0.089 1.00 0.00 H new ATOM 0 HG SER A 49 -1.086 3.743 0.502 1.00 0.00 H new ATOM 771 N VAL A 50 -3.734 -1.023 0.266 1.00 0.00 N ATOM 772 CA VAL A 50 -4.917 -1.764 -0.271 1.00 0.00 C ATOM 773 C VAL A 50 -6.090 -1.689 0.713 1.00 0.00 C ATOM 774 O VAL A 50 -5.934 -1.938 1.894 1.00 0.00 O ATOM 775 CB VAL A 50 -4.451 -3.215 -0.453 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.187 -3.244 -1.312 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.149 -3.848 0.909 1.00 0.00 C ATOM 0 H VAL A 50 -3.408 -1.322 1.185 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.268 -1.337 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.244 -3.780 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.858 -4.275 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.400 -2.807 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.401 -2.670 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.819 -4.877 0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.363 -3.281 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.050 -3.837 1.523 1.00 0.00 H new ATOM 787 N PHE A 51 -7.264 -1.343 0.245 1.00 0.00 N ATOM 788 CA PHE A 51 -8.428 -1.261 1.174 1.00 0.00 C ATOM 789 C PHE A 51 -9.629 -2.023 0.606 1.00 0.00 C ATOM 790 O PHE A 51 -9.597 -2.512 -0.503 1.00 0.00 O ATOM 791 CB PHE A 51 -8.742 0.239 1.279 1.00 0.00 C ATOM 792 CG PHE A 51 -10.126 0.514 0.731 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.343 0.497 -0.651 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.191 0.769 1.602 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.619 0.733 -1.161 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.471 1.006 1.088 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.686 0.987 -0.293 1.00 0.00 C ATOM 0 H PHE A 51 -7.463 -1.117 -0.729 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.210 -1.706 2.145 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.682 0.560 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.001 0.815 0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.521 0.301 -1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -11.026 0.783 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -11.784 0.720 -2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.294 1.204 1.759 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.674 1.168 -0.689 1.00 0.00 H new ATOM 807 N ALA A 52 -10.701 -2.081 1.352 1.00 0.00 N ATOM 808 CA ALA A 52 -11.929 -2.762 0.852 1.00 0.00 C ATOM 809 C ALA A 52 -13.123 -2.433 1.749 1.00 0.00 C ATOM 810 O ALA A 52 -13.025 -1.646 2.666 1.00 0.00 O ATOM 811 CB ALA A 52 -11.634 -4.259 0.876 1.00 0.00 C ATOM 0 H ALA A 52 -10.778 -1.684 2.289 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.183 -2.430 -0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.505 -4.807 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.781 -4.472 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.405 -4.568 1.896 1.00 0.00 H new ATOM 817 N LYS A 53 -14.257 -3.017 1.472 1.00 0.00 N ATOM 818 CA LYS A 53 -15.469 -2.729 2.287 1.00 0.00 C ATOM 819 C LYS A 53 -16.164 -4.031 2.713 1.00 0.00 C ATOM 820 O LYS A 53 -17.374 -4.133 2.652 1.00 0.00 O ATOM 821 CB LYS A 53 -16.368 -1.955 1.327 1.00 0.00 C ATOM 822 CG LYS A 53 -15.904 -0.502 1.239 1.00 0.00 C ATOM 823 CD LYS A 53 -16.492 0.295 2.405 1.00 0.00 C ATOM 824 CE LYS A 53 -17.098 1.599 1.887 1.00 0.00 C ATOM 825 NZ LYS A 53 -18.355 1.194 1.199 1.00 0.00 N ATOM 0 H LYS A 53 -14.396 -3.684 0.713 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.237 -2.185 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.342 -2.415 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.402 -1.996 1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.815 -0.455 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.219 -0.066 0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.255 -0.295 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.715 0.510 3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.301 2.292 2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.418 2.105 1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -18.304 1.463 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.476 0.164 1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -19.164 1.672 1.644 1.00 0.00 H new ATOM 839 N SER A 54 -15.426 -5.031 3.134 1.00 0.00 N ATOM 840 CA SER A 54 -16.093 -6.309 3.543 1.00 0.00 C ATOM 841 C SER A 54 -15.128 -7.246 4.284 1.00 0.00 C ATOM 842 O SER A 54 -14.567 -8.154 3.705 1.00 0.00 O ATOM 843 CB SER A 54 -16.548 -6.948 2.231 1.00 0.00 C ATOM 844 OG SER A 54 -16.950 -8.289 2.477 1.00 0.00 O ATOM 0 H SER A 54 -14.409 -5.020 3.212 1.00 0.00 H new ATOM 0 HA SER A 54 -16.917 -6.123 4.232 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.375 -6.381 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.738 -6.927 1.502 1.00 0.00 H new ATOM 0 HG SER A 54 -16.170 -8.822 2.738 1.00 0.00 H new ATOM 850 N THR A 55 -14.960 -7.045 5.568 1.00 0.00 N ATOM 851 CA THR A 55 -14.059 -7.930 6.380 1.00 0.00 C ATOM 852 C THR A 55 -13.975 -7.365 7.805 1.00 0.00 C ATOM 853 O THR A 55 -14.991 -7.150 8.437 1.00 0.00 O ATOM 854 CB THR A 55 -12.686 -7.916 5.685 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.744 -8.602 6.496 1.00 0.00 O ATOM 856 CG2 THR A 55 -12.220 -6.477 5.475 1.00 0.00 C ATOM 0 H THR A 55 -15.412 -6.299 6.096 1.00 0.00 H new ATOM 0 HA THR A 55 -14.426 -8.954 6.448 1.00 0.00 H new ATOM 0 HB THR A 55 -12.770 -8.408 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.218 -9.184 7.126 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.248 -6.478 4.983 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.942 -5.948 4.852 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.138 -5.977 6.440 1.00 0.00 H new ATOM 864 N GLY A 56 -12.794 -7.098 8.318 1.00 0.00 N ATOM 865 CA GLY A 56 -12.704 -6.521 9.694 1.00 0.00 C ATOM 866 C GLY A 56 -13.631 -5.304 9.765 1.00 0.00 C ATOM 867 O GLY A 56 -14.202 -4.994 10.791 1.00 0.00 O ATOM 0 H GLY A 56 -11.902 -7.253 7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.994 -7.264 10.437 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.678 -6.230 9.918 1.00 0.00 H new ATOM 871 N ASP A 57 -13.794 -4.635 8.656 1.00 0.00 N ATOM 872 CA ASP A 57 -14.690 -3.455 8.596 1.00 0.00 C ATOM 873 C ASP A 57 -15.605 -3.596 7.370 1.00 0.00 C ATOM 874 O ASP A 57 -15.197 -3.299 6.266 1.00 0.00 O ATOM 875 CB ASP A 57 -13.754 -2.271 8.416 1.00 0.00 C ATOM 876 CG ASP A 57 -14.302 -1.061 9.174 1.00 0.00 C ATOM 877 OD1 ASP A 57 -13.958 -0.909 10.334 1.00 0.00 O ATOM 878 OD2 ASP A 57 -15.055 -0.307 8.581 1.00 0.00 O ATOM 0 H ASP A 57 -13.333 -4.864 7.775 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.320 -3.346 9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.759 -2.522 8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.652 -2.033 7.357 1.00 0.00 H new ATOM 883 N PRO A 58 -16.806 -4.061 7.587 1.00 0.00 N ATOM 884 CA PRO A 58 -17.759 -4.257 6.468 1.00 0.00 C ATOM 885 C PRO A 58 -17.981 -2.972 5.671 1.00 0.00 C ATOM 886 O PRO A 58 -18.461 -3.003 4.554 1.00 0.00 O ATOM 887 CB PRO A 58 -19.037 -4.672 7.192 1.00 0.00 C ATOM 888 CG PRO A 58 -18.759 -4.732 8.705 1.00 0.00 C ATOM 889 CD PRO A 58 -17.283 -4.405 8.947 1.00 0.00 C ATOM 0 HA PRO A 58 -17.407 -4.983 5.735 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.836 -3.960 6.984 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -19.375 -5.644 6.832 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.395 -4.022 9.234 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.995 -5.723 9.093 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -17.160 -3.575 9.643 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.742 -5.254 9.365 1.00 0.00 H new ATOM 897 N GLN A 59 -17.668 -1.844 6.236 1.00 0.00 N ATOM 898 CA GLN A 59 -17.899 -0.565 5.500 1.00 0.00 C ATOM 899 C GLN A 59 -16.621 0.274 5.364 1.00 0.00 C ATOM 900 O GLN A 59 -16.689 1.487 5.313 1.00 0.00 O ATOM 901 CB GLN A 59 -18.931 0.183 6.344 1.00 0.00 C ATOM 902 CG GLN A 59 -18.428 0.284 7.784 1.00 0.00 C ATOM 903 CD GLN A 59 -19.139 1.437 8.496 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.366 2.478 7.913 1.00 0.00 O ATOM 905 NE2 GLN A 59 -19.504 1.292 9.740 1.00 0.00 N ATOM 0 H GLN A 59 -17.265 -1.747 7.168 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.232 -0.757 4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.099 1.179 5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.888 -0.339 6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.613 -0.652 8.311 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.350 0.447 7.793 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -19.313 0.417 10.229 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.980 2.053 10.224 1.00 0.00 H new ATOM 914 N GLY A 60 -15.464 -0.334 5.277 1.00 0.00 N ATOM 915 CA GLY A 60 -14.230 0.483 5.114 1.00 0.00 C ATOM 916 C GLY A 60 -13.009 -0.228 5.700 1.00 0.00 C ATOM 917 O GLY A 60 -12.791 -0.225 6.894 1.00 0.00 O ATOM 0 H GLY A 60 -15.324 -1.344 5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.062 0.685 4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.362 1.447 5.605 1.00 0.00 H new ATOM 921 N VAL A 61 -12.197 -0.822 4.861 1.00 0.00 N ATOM 922 CA VAL A 61 -10.977 -1.525 5.366 1.00 0.00 C ATOM 923 C VAL A 61 -9.751 -1.078 4.593 1.00 0.00 C ATOM 924 O VAL A 61 -9.808 -0.835 3.413 1.00 0.00 O ATOM 925 CB VAL A 61 -11.216 -3.011 5.118 1.00 0.00 C ATOM 926 CG1 VAL A 61 -10.053 -3.817 5.704 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.523 -3.439 5.774 1.00 0.00 C ATOM 0 H VAL A 61 -12.326 -0.851 3.850 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.806 -1.306 6.420 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.280 -3.195 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.222 -4.879 5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -9.122 -3.513 5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.987 -3.633 6.776 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.690 -4.501 5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.468 -3.257 6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.348 -2.866 5.350 1.00 0.00 H new ATOM 937 N ILE A 62 -8.645 -0.956 5.269 1.00 0.00 N ATOM 938 CA ILE A 62 -7.393 -0.499 4.593 1.00 0.00 C ATOM 939 C ILE A 62 -6.157 -1.169 5.202 1.00 0.00 C ATOM 940 O ILE A 62 -6.185 -1.671 6.307 1.00 0.00 O ATOM 941 CB ILE A 62 -7.340 1.014 4.835 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.728 1.507 5.279 1.00 0.00 C ATOM 943 CG2 ILE A 62 -6.911 1.716 3.540 1.00 0.00 C ATOM 944 CD1 ILE A 62 -8.745 3.022 5.423 1.00 0.00 C ATOM 0 H ILE A 62 -8.550 -1.153 6.265 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.397 -0.755 3.534 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.618 1.243 5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.478 1.198 4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.996 1.044 6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.871 2.793 3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.926 1.358 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.631 1.496 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.737 3.346 5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.010 3.325 6.169 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.500 3.481 4.465 1.00 0.00 H new ATOM 956 N ARG A 63 -5.068 -1.162 4.478 1.00 0.00 N ATOM 957 CA ARG A 63 -3.808 -1.778 4.990 1.00 0.00 C ATOM 958 C ARG A 63 -2.653 -1.429 4.045 1.00 0.00 C ATOM 959 O ARG A 63 -2.610 -1.881 2.916 1.00 0.00 O ATOM 960 CB ARG A 63 -4.072 -3.286 4.993 1.00 0.00 C ATOM 961 CG ARG A 63 -3.745 -3.860 6.374 1.00 0.00 C ATOM 962 CD ARG A 63 -3.880 -5.385 6.342 1.00 0.00 C ATOM 963 NE ARG A 63 -4.665 -5.727 7.561 1.00 0.00 N ATOM 964 CZ ARG A 63 -5.897 -6.142 7.447 1.00 0.00 C ATOM 965 NH1 ARG A 63 -6.146 -7.315 6.933 1.00 0.00 N ATOM 966 NH2 ARG A 63 -6.880 -5.383 7.848 1.00 0.00 N ATOM 0 H ARG A 63 -4.997 -0.753 3.546 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.536 -1.421 5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.114 -3.484 4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.463 -3.774 4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.732 -3.581 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.418 -3.441 7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.390 -5.717 5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.903 -5.868 6.353 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.240 -5.637 8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.378 -7.908 6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.109 -7.639 6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.685 -4.466 8.250 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.843 -5.707 7.759 1.00 0.00 H new ATOM 980 N HIS A 64 -1.723 -0.619 4.485 1.00 0.00 N ATOM 981 CA HIS A 64 -0.587 -0.239 3.587 1.00 0.00 C ATOM 982 C HIS A 64 0.624 -1.135 3.828 1.00 0.00 C ATOM 983 O HIS A 64 1.343 -0.977 4.795 1.00 0.00 O ATOM 984 CB HIS A 64 -0.223 1.213 3.925 1.00 0.00 C ATOM 985 CG HIS A 64 -1.459 1.994 4.276 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.192 2.684 3.325 1.00 0.00 N ATOM 987 CD2 HIS A 64 -2.100 2.203 5.471 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.223 3.270 3.958 1.00 0.00 C ATOM 989 NE2 HIS A 64 -3.214 3.009 5.268 1.00 0.00 N ATOM 0 H HIS A 64 -1.699 -0.207 5.418 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.878 -0.351 2.542 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.478 1.234 4.760 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.279 1.676 3.075 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -1.987 2.738 2.327 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.787 1.802 6.424 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.968 3.878 3.467 1.00 0.00 H new ATOM 997 N TYR A 65 0.873 -2.053 2.939 1.00 0.00 N ATOM 998 CA TYR A 65 2.060 -2.936 3.096 1.00 0.00 C ATOM 999 C TYR A 65 3.285 -2.179 2.611 1.00 0.00 C ATOM 1000 O TYR A 65 3.339 -1.738 1.484 1.00 0.00 O ATOM 1001 CB TYR A 65 1.815 -4.134 2.193 1.00 0.00 C ATOM 1002 CG TYR A 65 0.400 -4.643 2.363 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.181 -4.698 3.636 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.328 -5.067 1.245 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.484 -5.178 3.792 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.632 -5.545 1.401 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.212 -5.602 2.674 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.498 -6.076 2.826 1.00 0.00 O ATOM 0 H TYR A 65 0.306 -2.230 2.110 1.00 0.00 H new ATOM 0 HA TYR A 65 2.215 -3.244 4.130 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.985 -3.854 1.153 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.524 -4.927 2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.379 -4.369 4.499 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.118 -5.025 0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.929 -5.222 4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.193 -5.871 0.538 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.588 -6.934 2.360 1.00 0.00 H new ATOM 1018 N VAL A 66 4.266 -2.020 3.438 1.00 0.00 N ATOM 1019 CA VAL A 66 5.474 -1.276 2.992 1.00 0.00 C ATOM 1020 C VAL A 66 6.684 -2.196 2.960 1.00 0.00 C ATOM 1021 O VAL A 66 6.659 -3.291 3.483 1.00 0.00 O ATOM 1022 CB VAL A 66 5.688 -0.167 4.022 1.00 0.00 C ATOM 1023 CG1 VAL A 66 6.800 0.764 3.528 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.393 0.635 4.204 1.00 0.00 C ATOM 0 H VAL A 66 4.290 -2.367 4.397 1.00 0.00 H new ATOM 0 HA VAL A 66 5.344 -0.875 1.987 1.00 0.00 H new ATOM 0 HB VAL A 66 5.969 -0.608 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.960 1.559 4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.722 0.196 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.511 1.201 2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.554 1.423 4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.104 1.080 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.600 -0.028 4.550 1.00 0.00 H new ATOM 1034 N VAL A 67 7.747 -1.758 2.354 1.00 0.00 N ATOM 1035 CA VAL A 67 8.959 -2.610 2.293 1.00 0.00 C ATOM 1036 C VAL A 67 10.111 -1.955 3.053 1.00 0.00 C ATOM 1037 O VAL A 67 10.480 -0.828 2.794 1.00 0.00 O ATOM 1038 CB VAL A 67 9.294 -2.717 0.810 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.580 -3.531 0.645 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.141 -3.409 0.075 1.00 0.00 C ATOM 0 H VAL A 67 7.828 -0.849 1.899 1.00 0.00 H new ATOM 0 HA VAL A 67 8.795 -3.587 2.748 1.00 0.00 H new ATOM 0 HB VAL A 67 9.438 -1.722 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.826 -3.612 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.395 -3.034 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.435 -4.528 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.380 -3.486 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.994 -4.407 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.228 -2.827 0.200 1.00 0.00 H new ATOM 1050 N CYS A 68 10.693 -2.663 3.974 1.00 0.00 N ATOM 1051 CA CYS A 68 11.838 -2.098 4.732 1.00 0.00 C ATOM 1052 C CYS A 68 13.125 -2.406 3.973 1.00 0.00 C ATOM 1053 O CYS A 68 13.190 -3.363 3.230 1.00 0.00 O ATOM 1054 CB CYS A 68 11.813 -2.809 6.086 1.00 0.00 C ATOM 1055 SG CYS A 68 12.768 -1.850 7.288 1.00 0.00 S ATOM 0 H CYS A 68 10.425 -3.612 4.236 1.00 0.00 H new ATOM 0 HA CYS A 68 11.780 -1.017 4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.785 -2.923 6.430 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.230 -3.811 5.990 1.00 0.00 H new ATOM 0 HG CYS A 68 12.746 -2.453 8.440 1.00 0.00 H new ATOM 1061 N SER A 69 14.141 -1.601 4.126 1.00 0.00 N ATOM 1062 CA SER A 69 15.405 -1.865 3.376 1.00 0.00 C ATOM 1063 C SER A 69 16.622 -1.810 4.299 1.00 0.00 C ATOM 1064 O SER A 69 16.819 -0.864 5.036 1.00 0.00 O ATOM 1065 CB SER A 69 15.489 -0.759 2.323 1.00 0.00 C ATOM 1066 OG SER A 69 14.569 0.278 2.642 1.00 0.00 O ATOM 0 H SER A 69 14.153 -0.780 4.731 1.00 0.00 H new ATOM 0 HA SER A 69 15.400 -2.860 2.932 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.502 -0.359 2.282 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.266 -1.165 1.336 1.00 0.00 H new ATOM 0 HG SER A 69 14.192 0.647 1.816 1.00 0.00 H new ATOM 1072 N THR A 70 17.453 -2.815 4.238 1.00 0.00 N ATOM 1073 CA THR A 70 18.683 -2.830 5.080 1.00 0.00 C ATOM 1074 C THR A 70 19.866 -2.331 4.233 1.00 0.00 C ATOM 1075 O THR A 70 19.814 -2.398 3.021 1.00 0.00 O ATOM 1076 CB THR A 70 18.858 -4.296 5.501 1.00 0.00 C ATOM 1077 OG1 THR A 70 19.912 -4.399 6.445 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.181 -5.158 4.282 1.00 0.00 C ATOM 0 H THR A 70 17.332 -3.631 3.638 1.00 0.00 H new ATOM 0 HA THR A 70 18.623 -2.184 5.956 1.00 0.00 H new ATOM 0 HB THR A 70 17.929 -4.647 5.951 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.020 -5.335 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.303 -6.196 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.367 -5.088 3.561 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.104 -4.806 3.822 1.00 0.00 H new ATOM 1086 N PRO A 71 20.887 -1.816 4.880 1.00 0.00 N ATOM 1087 CA PRO A 71 22.058 -1.278 4.143 1.00 0.00 C ATOM 1088 C PRO A 71 22.805 -2.348 3.336 1.00 0.00 C ATOM 1089 O PRO A 71 23.787 -2.051 2.682 1.00 0.00 O ATOM 1090 CB PRO A 71 22.935 -0.716 5.264 1.00 0.00 C ATOM 1091 CG PRO A 71 22.228 -0.952 6.613 1.00 0.00 C ATOM 1092 CD PRO A 71 20.931 -1.732 6.361 1.00 0.00 C ATOM 0 HA PRO A 71 21.769 -0.540 3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 71 23.911 -1.202 5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.108 0.349 5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.878 -1.509 7.288 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.008 0.000 7.096 1.00 0.00 H new ATOM 0 HD2 PRO A 71 20.955 -2.719 6.823 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.061 -1.213 6.764 1.00 0.00 H new ATOM 1100 N GLN A 72 22.356 -3.570 3.343 1.00 0.00 N ATOM 1101 CA GLN A 72 23.055 -4.610 2.539 1.00 0.00 C ATOM 1102 C GLN A 72 22.381 -4.718 1.164 1.00 0.00 C ATOM 1103 O GLN A 72 22.434 -5.739 0.511 1.00 0.00 O ATOM 1104 CB GLN A 72 22.900 -5.900 3.352 1.00 0.00 C ATOM 1105 CG GLN A 72 23.524 -7.087 2.607 1.00 0.00 C ATOM 1106 CD GLN A 72 24.974 -6.762 2.233 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.254 -6.384 1.113 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.912 -6.897 3.130 1.00 0.00 N ATOM 0 H GLN A 72 21.542 -3.893 3.866 1.00 0.00 H new ATOM 0 HA GLN A 72 24.106 -4.388 2.357 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.378 -5.783 4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.844 -6.095 3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.492 -7.979 3.233 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.948 -7.307 1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.677 -7.214 4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.881 -6.685 2.891 1.00 0.00 H new ATOM 1117 N SER A 73 21.740 -3.659 0.722 1.00 0.00 N ATOM 1118 CA SER A 73 21.047 -3.689 -0.602 1.00 0.00 C ATOM 1119 C SER A 73 19.953 -4.753 -0.567 1.00 0.00 C ATOM 1120 O SER A 73 19.846 -5.583 -1.450 1.00 0.00 O ATOM 1121 CB SER A 73 22.127 -4.053 -1.625 1.00 0.00 C ATOM 1122 OG SER A 73 22.048 -3.160 -2.729 1.00 0.00 O ATOM 0 H SER A 73 21.669 -2.775 1.225 1.00 0.00 H new ATOM 0 HA SER A 73 20.577 -2.738 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 73 23.114 -3.995 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.993 -5.080 -1.963 1.00 0.00 H new ATOM 0 HG SER A 73 22.739 -3.389 -3.385 1.00 0.00 H new ATOM 1128 N GLN A 74 19.154 -4.750 0.468 1.00 0.00 N ATOM 1129 CA GLN A 74 18.082 -5.778 0.591 1.00 0.00 C ATOM 1130 C GLN A 74 16.769 -5.131 1.046 1.00 0.00 C ATOM 1131 O GLN A 74 16.731 -3.970 1.404 1.00 0.00 O ATOM 1132 CB GLN A 74 18.597 -6.759 1.646 1.00 0.00 C ATOM 1133 CG GLN A 74 20.126 -6.689 1.719 1.00 0.00 C ATOM 1134 CD GLN A 74 20.666 -7.934 2.426 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.710 -7.988 3.639 1.00 0.00 O ATOM 1136 NE2 GLN A 74 21.085 -8.943 1.713 1.00 0.00 N ATOM 0 H GLN A 74 19.199 -4.078 1.234 1.00 0.00 H new ATOM 0 HA GLN A 74 17.873 -6.272 -0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 74 18.166 -6.520 2.618 1.00 0.00 H new ATOM 0 HB3 GLN A 74 18.282 -7.772 1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.545 -6.619 0.715 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.433 -5.792 2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 74 21.048 -8.898 0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.449 -9.777 2.174 1.00 0.00 H new ATOM 1145 N TYR A 75 15.684 -5.868 1.010 1.00 0.00 N ATOM 1146 CA TYR A 75 14.364 -5.278 1.417 1.00 0.00 C ATOM 1147 C TYR A 75 13.455 -6.328 2.066 1.00 0.00 C ATOM 1148 O TYR A 75 13.635 -7.508 1.883 1.00 0.00 O ATOM 1149 CB TYR A 75 13.719 -4.790 0.118 1.00 0.00 C ATOM 1150 CG TYR A 75 14.687 -3.929 -0.652 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.675 -4.525 -1.439 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.602 -2.539 -0.571 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.580 -3.732 -2.146 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.504 -1.741 -1.279 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.495 -2.338 -2.068 1.00 0.00 C ATOM 1156 OH TYR A 75 17.389 -1.552 -2.767 1.00 0.00 O ATOM 0 H TYR A 75 15.653 -6.845 0.719 1.00 0.00 H new ATOM 0 HA TYR A 75 14.506 -4.482 2.148 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.417 -5.643 -0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.816 -4.223 0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.739 -5.601 -1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.839 -2.080 0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.345 -4.194 -2.753 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.437 -0.665 -1.218 1.00 0.00 H new ATOM 0 HH TYR A 75 17.190 -0.606 -2.604 1.00 0.00 H new ATOM 1166 N TYR A 76 12.457 -5.893 2.802 1.00 0.00 N ATOM 1167 CA TYR A 76 11.507 -6.853 3.459 1.00 0.00 C ATOM 1168 C TYR A 76 10.452 -6.096 4.274 1.00 0.00 C ATOM 1169 O TYR A 76 10.658 -4.975 4.685 1.00 0.00 O ATOM 1170 CB TYR A 76 12.359 -7.711 4.413 1.00 0.00 C ATOM 1171 CG TYR A 76 13.045 -6.830 5.437 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.344 -6.403 6.569 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.384 -6.459 5.266 1.00 0.00 C ATOM 1174 CE1 TYR A 76 12.975 -5.608 7.530 1.00 0.00 C ATOM 1175 CE2 TYR A 76 15.017 -5.660 6.226 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.313 -5.235 7.358 1.00 0.00 C ATOM 1177 OH TYR A 76 14.939 -4.451 8.305 1.00 0.00 O ATOM 0 H TYR A 76 12.258 -4.908 2.977 1.00 0.00 H new ATOM 0 HA TYR A 76 10.987 -7.455 2.713 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.728 -8.443 4.917 1.00 0.00 H new ATOM 0 HB3 TYR A 76 13.104 -8.269 3.845 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.311 -6.689 6.701 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.929 -6.789 4.394 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.431 -5.282 8.404 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.049 -5.372 6.093 1.00 0.00 H new ATOM 0 HH TYR A 76 14.534 -3.559 8.311 1.00 0.00 H new ATOM 1187 N LEU A 77 9.352 -6.735 4.568 1.00 0.00 N ATOM 1188 CA LEU A 77 8.310 -6.088 5.421 1.00 0.00 C ATOM 1189 C LEU A 77 8.519 -6.629 6.838 1.00 0.00 C ATOM 1190 O LEU A 77 7.951 -6.165 7.807 1.00 0.00 O ATOM 1191 CB LEU A 77 6.962 -6.544 4.849 1.00 0.00 C ATOM 1192 CG LEU A 77 5.900 -5.467 5.103 1.00 0.00 C ATOM 1193 CD1 LEU A 77 4.985 -5.347 3.880 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.058 -5.850 6.323 1.00 0.00 C ATOM 0 H LEU A 77 9.128 -7.679 4.254 1.00 0.00 H new ATOM 0 HA LEU A 77 8.355 -4.999 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.055 -6.731 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.659 -7.483 5.312 1.00 0.00 H new ATOM 0 HG LEU A 77 6.396 -4.514 5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.231 -4.581 4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.578 -5.072 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.494 -6.303 3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.305 -5.083 6.501 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.567 -6.806 6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.703 -5.935 7.198 1.00 0.00 H new ATOM 1206 N ALA A 78 9.394 -7.595 6.930 1.00 0.00 N ATOM 1207 CA ALA A 78 9.777 -8.216 8.219 1.00 0.00 C ATOM 1208 C ALA A 78 11.186 -8.778 8.023 1.00 0.00 C ATOM 1209 O ALA A 78 11.419 -9.568 7.129 1.00 0.00 O ATOM 1210 CB ALA A 78 8.762 -9.336 8.457 1.00 0.00 C ATOM 0 H ALA A 78 9.876 -7.991 6.123 1.00 0.00 H new ATOM 0 HA ALA A 78 9.778 -7.532 9.067 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.988 -9.838 9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.758 -8.914 8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.815 -10.055 7.640 1.00 0.00 H new ATOM 1216 N GLU A 79 12.137 -8.355 8.815 1.00 0.00 N ATOM 1217 CA GLU A 79 13.543 -8.845 8.635 1.00 0.00 C ATOM 1218 C GLU A 79 13.585 -10.367 8.488 1.00 0.00 C ATOM 1219 O GLU A 79 14.545 -10.923 7.994 1.00 0.00 O ATOM 1220 CB GLU A 79 14.283 -8.406 9.896 1.00 0.00 C ATOM 1221 CG GLU A 79 14.870 -7.014 9.676 1.00 0.00 C ATOM 1222 CD GLU A 79 15.830 -6.675 10.818 1.00 0.00 C ATOM 1223 OE1 GLU A 79 16.989 -7.047 10.721 1.00 0.00 O ATOM 1224 OE2 GLU A 79 15.391 -6.051 11.769 1.00 0.00 O ATOM 0 H GLU A 79 12.004 -7.692 9.579 1.00 0.00 H new ATOM 0 HA GLU A 79 13.996 -8.440 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.602 -8.396 10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.077 -9.115 10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.396 -6.977 8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.071 -6.275 9.628 1.00 0.00 H new ATOM 1231 N LYS A 80 12.546 -11.037 8.906 1.00 0.00 N ATOM 1232 CA LYS A 80 12.499 -12.530 8.787 1.00 0.00 C ATOM 1233 C LYS A 80 13.044 -12.977 7.424 1.00 0.00 C ATOM 1234 O LYS A 80 13.720 -13.981 7.311 1.00 0.00 O ATOM 1235 CB LYS A 80 11.015 -12.882 8.898 1.00 0.00 C ATOM 1236 CG LYS A 80 10.782 -13.761 10.130 1.00 0.00 C ATOM 1237 CD LYS A 80 11.314 -15.173 9.860 1.00 0.00 C ATOM 1238 CE LYS A 80 12.642 -15.373 10.599 1.00 0.00 C ATOM 1239 NZ LYS A 80 12.340 -16.363 11.670 1.00 0.00 N ATOM 0 H LYS A 80 11.719 -10.615 9.329 1.00 0.00 H new ATOM 0 HA LYS A 80 13.104 -13.022 9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.420 -11.972 8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.688 -13.405 7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.285 -13.331 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.718 -13.801 10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.587 -15.915 10.190 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.456 -15.320 8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.416 -15.742 9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.005 -14.435 11.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.202 -16.552 12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.604 -15.981 12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.003 -17.248 11.240 1.00 0.00 H new ATOM 1253 N HIS A 81 12.755 -12.229 6.394 1.00 0.00 N ATOM 1254 CA HIS A 81 13.252 -12.590 5.035 1.00 0.00 C ATOM 1255 C HIS A 81 13.311 -11.334 4.172 1.00 0.00 C ATOM 1256 O HIS A 81 12.421 -10.507 4.211 1.00 0.00 O ATOM 1257 CB HIS A 81 12.236 -13.589 4.470 1.00 0.00 C ATOM 1258 CG HIS A 81 10.834 -13.101 4.724 1.00 0.00 C ATOM 1259 ND1 HIS A 81 10.306 -11.995 4.076 1.00 0.00 N ATOM 1260 CD2 HIS A 81 9.842 -13.557 5.555 1.00 0.00 C ATOM 1261 CE1 HIS A 81 9.049 -11.825 4.524 1.00 0.00 C ATOM 1262 NE2 HIS A 81 8.715 -12.750 5.427 1.00 0.00 N ATOM 0 H HIS A 81 12.193 -11.379 6.436 1.00 0.00 H new ATOM 0 HA HIS A 81 14.252 -13.022 5.059 1.00 0.00 H new ATOM 0 HB2 HIS A 81 12.397 -13.717 3.399 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.379 -14.566 4.932 1.00 0.00 H new ATOM 0 HD1 HIS A 81 10.784 -11.416 3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.923 -14.412 6.209 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.390 -11.036 4.193 1.00 0.00 H new ATOM 1270 N LEU A 82 14.355 -11.167 3.407 1.00 0.00 N ATOM 1271 CA LEU A 82 14.457 -9.947 2.570 1.00 0.00 C ATOM 1272 C LEU A 82 15.136 -10.260 1.234 1.00 0.00 C ATOM 1273 O LEU A 82 16.034 -11.077 1.156 1.00 0.00 O ATOM 1274 CB LEU A 82 15.287 -8.969 3.416 1.00 0.00 C ATOM 1275 CG LEU A 82 16.720 -9.472 3.570 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.599 -8.332 4.087 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.767 -10.633 4.571 1.00 0.00 C ATOM 0 H LEU A 82 15.135 -11.820 3.328 1.00 0.00 H new ATOM 0 HA LEU A 82 13.483 -9.531 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.290 -7.986 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.830 -8.851 4.398 1.00 0.00 H new ATOM 0 HG LEU A 82 17.083 -9.818 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.624 -8.685 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.576 -7.504 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.224 -7.993 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.794 -10.984 4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 82 16.402 -10.293 5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 82 16.139 -11.448 4.212 1.00 0.00 H new ATOM 1289 N PHE A 83 14.708 -9.617 0.181 1.00 0.00 N ATOM 1290 CA PHE A 83 15.321 -9.873 -1.154 1.00 0.00 C ATOM 1291 C PHE A 83 16.086 -8.625 -1.624 1.00 0.00 C ATOM 1292 O PHE A 83 16.760 -7.992 -0.837 1.00 0.00 O ATOM 1293 CB PHE A 83 14.137 -10.219 -2.061 1.00 0.00 C ATOM 1294 CG PHE A 83 13.713 -11.640 -1.768 1.00 0.00 C ATOM 1295 CD1 PHE A 83 14.613 -12.693 -1.980 1.00 0.00 C ATOM 1296 CD2 PHE A 83 12.428 -11.908 -1.280 1.00 0.00 C ATOM 1297 CE1 PHE A 83 14.229 -14.010 -1.706 1.00 0.00 C ATOM 1298 CE2 PHE A 83 12.044 -13.227 -1.007 1.00 0.00 C ATOM 1299 CZ PHE A 83 12.944 -14.277 -1.219 1.00 0.00 C ATOM 0 H PHE A 83 13.959 -8.924 0.188 1.00 0.00 H new ATOM 0 HA PHE A 83 16.053 -10.680 -1.151 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.310 -9.532 -1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.419 -10.115 -3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 83 15.605 -12.487 -2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.733 -11.098 -1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 83 14.924 -14.820 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.052 -13.434 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.647 -15.294 -1.007 1.00 0.00 H new ATOM 1309 N SER A 84 16.021 -8.271 -2.886 1.00 0.00 N ATOM 1310 CA SER A 84 16.790 -7.074 -3.348 1.00 0.00 C ATOM 1311 C SER A 84 15.875 -5.998 -3.955 1.00 0.00 C ATOM 1312 O SER A 84 16.349 -5.010 -4.479 1.00 0.00 O ATOM 1313 CB SER A 84 17.746 -7.615 -4.411 1.00 0.00 C ATOM 1314 OG SER A 84 18.584 -8.603 -3.827 1.00 0.00 O ATOM 0 H SER A 84 15.478 -8.750 -3.604 1.00 0.00 H new ATOM 0 HA SER A 84 17.304 -6.591 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.182 -8.043 -5.240 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.350 -6.805 -4.820 1.00 0.00 H new ATOM 0 HG SER A 84 19.198 -8.954 -4.506 1.00 0.00 H new ATOM 1320 N THR A 85 14.576 -6.164 -3.889 1.00 0.00 N ATOM 1321 CA THR A 85 13.661 -5.119 -4.462 1.00 0.00 C ATOM 1322 C THR A 85 12.216 -5.357 -4.005 1.00 0.00 C ATOM 1323 O THR A 85 11.863 -6.441 -3.581 1.00 0.00 O ATOM 1324 CB THR A 85 13.746 -5.267 -5.986 1.00 0.00 C ATOM 1325 OG1 THR A 85 15.064 -5.627 -6.374 1.00 0.00 O ATOM 1326 CG2 THR A 85 13.365 -3.940 -6.646 1.00 0.00 C ATOM 0 H THR A 85 14.111 -6.968 -3.468 1.00 0.00 H new ATOM 0 HA THR A 85 13.953 -4.122 -4.131 1.00 0.00 H new ATOM 0 HB THR A 85 13.058 -6.050 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.702 -4.981 -6.004 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.425 -4.042 -7.730 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.347 -3.671 -6.362 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.051 -3.160 -6.317 1.00 0.00 H new ATOM 1334 N ILE A 86 11.374 -4.355 -4.097 1.00 0.00 N ATOM 1335 CA ILE A 86 9.953 -4.538 -3.677 1.00 0.00 C ATOM 1336 C ILE A 86 9.226 -5.508 -4.633 1.00 0.00 C ATOM 1337 O ILE A 86 8.674 -6.491 -4.181 1.00 0.00 O ATOM 1338 CB ILE A 86 9.342 -3.133 -3.713 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.679 -2.407 -2.409 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.819 -3.217 -3.865 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.886 -1.493 -2.627 1.00 0.00 C ATOM 0 H ILE A 86 11.610 -3.425 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 86 9.865 -4.980 -2.684 1.00 0.00 H new ATOM 0 HB ILE A 86 9.752 -2.589 -4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.822 -1.821 -2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.896 -3.131 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.400 -2.211 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.574 -3.734 -4.792 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.399 -3.765 -3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.124 -0.977 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.742 -2.090 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.653 -0.760 -3.399 1.00 0.00 H new ATOM 1353 N PRO A 87 9.245 -5.226 -5.925 1.00 0.00 N ATOM 1354 CA PRO A 87 8.574 -6.127 -6.893 1.00 0.00 C ATOM 1355 C PRO A 87 9.129 -7.544 -6.756 1.00 0.00 C ATOM 1356 O PRO A 87 8.398 -8.515 -6.791 1.00 0.00 O ATOM 1357 CB PRO A 87 8.940 -5.509 -8.247 1.00 0.00 C ATOM 1358 CG PRO A 87 9.810 -4.263 -7.999 1.00 0.00 C ATOM 1359 CD PRO A 87 9.920 -4.030 -6.487 1.00 0.00 C ATOM 0 HA PRO A 87 7.497 -6.212 -6.749 1.00 0.00 H new ATOM 0 HB2 PRO A 87 9.480 -6.232 -8.859 1.00 0.00 H new ATOM 0 HB3 PRO A 87 8.038 -5.238 -8.795 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.800 -4.402 -8.432 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.369 -3.392 -8.484 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.958 -3.960 -6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.428 -3.106 -6.182 1.00 0.00 H new ATOM 1367 N GLU A 88 10.417 -7.666 -6.575 1.00 0.00 N ATOM 1368 CA GLU A 88 11.024 -9.018 -6.406 1.00 0.00 C ATOM 1369 C GLU A 88 10.380 -9.702 -5.198 1.00 0.00 C ATOM 1370 O GLU A 88 9.788 -10.758 -5.310 1.00 0.00 O ATOM 1371 CB GLU A 88 12.510 -8.754 -6.155 1.00 0.00 C ATOM 1372 CG GLU A 88 13.310 -10.032 -6.407 1.00 0.00 C ATOM 1373 CD GLU A 88 13.804 -10.050 -7.854 1.00 0.00 C ATOM 1374 OE1 GLU A 88 13.000 -10.319 -8.731 1.00 0.00 O ATOM 1375 OE2 GLU A 88 14.980 -9.798 -8.061 1.00 0.00 O ATOM 0 H GLU A 88 11.075 -6.888 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 88 10.877 -9.667 -7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.863 -7.957 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.661 -8.415 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.156 -10.084 -5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.689 -10.906 -6.213 1.00 0.00 H new ATOM 1382 N LEU A 89 10.478 -9.087 -4.048 1.00 0.00 N ATOM 1383 CA LEU A 89 9.863 -9.666 -2.812 1.00 0.00 C ATOM 1384 C LEU A 89 8.415 -10.098 -3.084 1.00 0.00 C ATOM 1385 O LEU A 89 8.038 -11.227 -2.845 1.00 0.00 O ATOM 1386 CB LEU A 89 9.880 -8.516 -1.796 1.00 0.00 C ATOM 1387 CG LEU A 89 10.734 -8.888 -0.585 1.00 0.00 C ATOM 1388 CD1 LEU A 89 10.961 -7.644 0.278 1.00 0.00 C ATOM 1389 CD2 LEU A 89 10.012 -9.956 0.240 1.00 0.00 C ATOM 0 H LEU A 89 10.962 -8.200 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 89 10.400 -10.547 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.275 -7.614 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.863 -8.290 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 89 11.694 -9.278 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.570 -7.907 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.474 -6.883 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.000 -7.255 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.621 -10.222 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.052 -9.567 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.848 -10.841 -0.374 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.865 -3.747 -6.881 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.505 -2.721 -7.760 1.00 0.00 C ATOM 1664 C TYR A 106 -7.613 -1.469 -7.872 1.00 0.00 C ATOM 1665 O TYR A 106 -7.197 -0.924 -6.869 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.833 -2.363 -7.084 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.440 -1.185 -7.810 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -10.923 -1.340 -9.113 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -10.488 0.066 -7.191 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -11.457 -0.242 -9.796 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -11.019 1.165 -7.875 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.504 1.012 -9.178 1.00 0.00 C ATOM 1673 OH TYR A 106 -12.026 2.096 -9.853 1.00 0.00 O ATOM 0 HA TYR A 106 -8.653 -3.101 -8.771 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.513 -3.215 -7.110 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.670 -2.118 -6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.884 -2.307 -9.592 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.115 0.185 -6.184 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.833 -0.363 -10.801 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.054 2.133 -7.396 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.984 2.890 -9.279 1.00 0.00 H new ATOM 1683 N PRO A 107 -7.354 -1.041 -9.091 1.00 0.00 N ATOM 1684 CA PRO A 107 -6.516 0.164 -9.314 1.00 0.00 C ATOM 1685 C PRO A 107 -7.179 1.427 -8.749 1.00 0.00 C ATOM 1686 O PRO A 107 -8.312 1.745 -9.053 1.00 0.00 O ATOM 1687 CB PRO A 107 -6.425 0.237 -10.842 1.00 0.00 C ATOM 1688 CG PRO A 107 -7.222 -0.935 -11.444 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.863 -1.732 -10.302 1.00 0.00 C ATOM 0 HA PRO A 107 -5.547 0.103 -8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.823 1.187 -11.199 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.384 0.188 -11.161 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -7.990 -0.561 -12.121 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.565 -1.577 -12.030 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.952 -1.708 -10.354 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.566 -2.780 -10.324 1.00 0.00 H new