USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=26 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 -123:sc= 1.56 USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0.366 USER MOD Set 2.1: A 17 MET CE :methyl 166:sc= -5.82! (180deg=-6.45!) USER MOD Set 2.2: A 49 SER OG : rot -51:sc= 0.884 USER MOD Set 2.3: A 64 HIS : no HD1:sc= -6.63! C(o=-12!,f=-26!) USER MOD Set 3.1: A 21 GLN :FLIP amide:sc= -0.515 F(o=-4.4,f=-2.7) USER MOD Set 3.2: A 24 GLN : amide:sc= -2.14! C(o=-2.7!,f=-3.9!) USER MOD Set 4.1: A 13 TYR OH : rot 130:sc= 0.0186 USER MOD Set 4.2: A 15 LYS NZ :NH3+ -124:sc= 1.96 (180deg=0.219) USER MOD Single : A 14 SER OG : rot 180:sc= -0.611 USER MOD Single : A 16 HIS : no HD1:sc= -0.215 K(o=-0.21,f=-0.85) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0665 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.156 (180deg=-0.473) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 100:sc= 0.394 USER MOD Single : A 41 SER OG : rot 37:sc= 0.00175 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -72:sc= 0.463 USER MOD Single : A 55 THR OG1 : rot 180:sc= -2.1! USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 0:sc= -1.29 USER MOD Single : A 69 SER OG : rot 102:sc= -4.61! USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.73! USER MOD Single : A 72 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.19) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -5.73 K(o=-5.7,f=-10!) 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 :FLIP no HD1:sc= -0.444 F(o=-0.95,f=-0.44) USER MOD Single : A 84 SER OG : rot -31:sc= 0.855 USER MOD Single : A 85 THR OG1 : rot -50:sc= -1.21! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N GLU A 11 -3.170 3.325 -11.826 1.00 0.00 N ATOM 151 CA GLU A 11 -3.877 4.037 -10.722 1.00 0.00 C ATOM 152 C GLU A 11 -3.233 3.700 -9.379 1.00 0.00 C ATOM 153 O GLU A 11 -2.996 4.559 -8.553 1.00 0.00 O ATOM 154 CB GLU A 11 -5.311 3.512 -10.748 1.00 0.00 C ATOM 155 CG GLU A 11 -6.272 4.633 -10.359 1.00 0.00 C ATOM 156 CD GLU A 11 -6.922 5.214 -11.617 1.00 0.00 C ATOM 157 OE1 GLU A 11 -7.965 4.715 -12.006 1.00 0.00 O ATOM 158 OE2 GLU A 11 -6.365 6.148 -12.169 1.00 0.00 O ATOM 0 HA GLU A 11 -3.832 5.119 -10.849 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.555 3.139 -11.743 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.415 2.674 -10.059 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.039 4.251 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.736 5.415 -9.821 1.00 0.00 H new ATOM 165 N TRP A 12 -2.966 2.446 -9.149 1.00 0.00 N ATOM 166 CA TRP A 12 -2.357 2.036 -7.852 1.00 0.00 C ATOM 167 C TRP A 12 -1.054 2.799 -7.592 1.00 0.00 C ATOM 168 O TRP A 12 -0.664 2.996 -6.462 1.00 0.00 O ATOM 169 CB TRP A 12 -2.078 0.538 -7.992 1.00 0.00 C ATOM 170 CG TRP A 12 -1.193 0.293 -9.173 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.623 -0.064 -10.406 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.260 0.375 -9.256 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.528 -0.200 -11.239 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.655 0.059 -10.577 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.263 0.693 -8.322 1.00 0.00 C ATOM 176 CZ2 TRP A 12 1.997 0.057 -10.959 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.614 0.691 -8.703 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.981 0.373 -10.019 1.00 0.00 C ATOM 0 H TRP A 12 -3.143 1.685 -9.804 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.018 2.254 -7.013 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.603 0.162 -7.086 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.015 -0.006 -8.110 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.653 -0.217 -10.692 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.587 -0.460 -12.223 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.992 0.940 -7.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.273 -0.187 -11.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.376 0.936 -7.978 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.022 0.372 -10.305 1.00 0.00 H new ATOM 189 N TYR A 13 -0.374 3.225 -8.620 1.00 0.00 N ATOM 190 CA TYR A 13 0.907 3.960 -8.400 1.00 0.00 C ATOM 191 C TYR A 13 0.645 5.442 -8.123 1.00 0.00 C ATOM 192 O TYR A 13 -0.219 6.055 -8.721 1.00 0.00 O ATOM 193 CB TYR A 13 1.699 3.787 -9.695 1.00 0.00 C ATOM 194 CG TYR A 13 3.141 4.165 -9.451 1.00 0.00 C ATOM 195 CD1 TYR A 13 3.829 3.630 -8.354 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.790 5.051 -10.318 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.163 3.982 -8.125 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.125 5.402 -10.089 1.00 0.00 C ATOM 199 CZ TYR A 13 5.812 4.868 -8.992 1.00 0.00 C ATOM 200 OH TYR A 13 7.129 5.212 -8.768 1.00 0.00 O ATOM 0 H TYR A 13 -0.645 3.099 -9.595 1.00 0.00 H new ATOM 0 HA TYR A 13 1.449 3.575 -7.536 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.635 2.755 -10.039 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.275 4.412 -10.481 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.329 2.945 -7.685 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.261 5.464 -11.164 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.692 3.570 -7.279 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.626 6.085 -10.759 1.00 0.00 H new ATOM 0 HH TYR A 13 7.642 5.096 -9.595 1.00 0.00 H new ATOM 210 N SER A 14 1.392 6.021 -7.218 1.00 0.00 N ATOM 211 CA SER A 14 1.201 7.463 -6.893 1.00 0.00 C ATOM 212 C SER A 14 2.507 8.063 -6.361 1.00 0.00 C ATOM 213 O SER A 14 3.174 7.484 -5.526 1.00 0.00 O ATOM 214 CB SER A 14 0.125 7.490 -5.812 1.00 0.00 C ATOM 215 OG SER A 14 -0.997 6.734 -6.245 1.00 0.00 O ATOM 0 H SER A 14 2.128 5.554 -6.689 1.00 0.00 H new ATOM 0 HA SER A 14 0.914 8.046 -7.768 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.518 7.079 -4.882 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.173 8.518 -5.605 1.00 0.00 H new ATOM 0 HG SER A 14 -1.689 6.749 -5.551 1.00 0.00 H new ATOM 221 N LYS A 15 2.876 9.215 -6.848 1.00 0.00 N ATOM 222 CA LYS A 15 4.142 9.860 -6.391 1.00 0.00 C ATOM 223 C LYS A 15 3.995 10.441 -4.983 1.00 0.00 C ATOM 224 O LYS A 15 3.364 11.460 -4.781 1.00 0.00 O ATOM 225 CB LYS A 15 4.401 10.984 -7.397 1.00 0.00 C ATOM 226 CG LYS A 15 5.443 10.529 -8.417 1.00 0.00 C ATOM 227 CD LYS A 15 4.898 9.336 -9.198 1.00 0.00 C ATOM 228 CE LYS A 15 6.048 8.622 -9.904 1.00 0.00 C ATOM 229 NZ LYS A 15 6.625 7.724 -8.867 1.00 0.00 N ATOM 0 H LYS A 15 2.353 9.742 -7.547 1.00 0.00 H new ATOM 0 HA LYS A 15 4.960 9.141 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.474 11.253 -7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.751 11.877 -6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.682 11.345 -9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.368 10.255 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.388 8.648 -8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.161 9.671 -9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.694 8.056 -10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.790 9.332 -10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.639 7.927 -8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.140 7.883 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.500 6.733 -9.157 1.00 0.00 H new ATOM 243 N HIS A 16 4.594 9.804 -4.016 1.00 0.00 N ATOM 244 CA HIS A 16 4.530 10.307 -2.611 1.00 0.00 C ATOM 245 C HIS A 16 3.082 10.474 -2.156 1.00 0.00 C ATOM 246 O HIS A 16 2.694 11.514 -1.657 1.00 0.00 O ATOM 247 CB HIS A 16 5.250 11.659 -2.628 1.00 0.00 C ATOM 248 CG HIS A 16 6.735 11.434 -2.566 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.389 10.565 -3.426 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.709 11.956 -1.750 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.696 10.592 -3.113 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.947 11.423 -2.097 1.00 0.00 N ATOM 0 H HIS A 16 5.132 8.946 -4.139 1.00 0.00 H new ATOM 0 HA HIS A 16 4.994 9.609 -1.914 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.992 12.210 -3.533 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.927 12.266 -1.782 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.540 12.672 -0.959 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.452 10.012 -3.621 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.851 11.623 -1.668 1.00 0.00 H new ATOM 260 N MET A 17 2.285 9.455 -2.308 1.00 0.00 N ATOM 261 CA MET A 17 0.864 9.554 -1.866 1.00 0.00 C ATOM 262 C MET A 17 0.788 9.343 -0.350 1.00 0.00 C ATOM 263 O MET A 17 1.267 8.356 0.174 1.00 0.00 O ATOM 264 CB MET A 17 0.134 8.433 -2.607 1.00 0.00 C ATOM 265 CG MET A 17 -1.345 8.424 -2.207 1.00 0.00 C ATOM 266 SD MET A 17 -1.901 6.717 -1.965 1.00 0.00 S ATOM 267 CE MET A 17 -0.815 6.316 -0.574 1.00 0.00 C ATOM 0 H MET A 17 2.553 8.560 -2.717 1.00 0.00 H new ATOM 0 HA MET A 17 0.422 10.527 -2.082 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.228 8.575 -3.684 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.590 7.471 -2.371 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.487 8.997 -1.290 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.944 8.906 -2.980 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.156 5.396 -0.100 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.205 6.182 -0.935 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.839 7.129 0.152 1.00 0.00 H new ATOM 277 N THR A 18 0.205 10.274 0.356 1.00 0.00 N ATOM 278 CA THR A 18 0.113 10.145 1.840 1.00 0.00 C ATOM 279 C THR A 18 -0.662 8.886 2.235 1.00 0.00 C ATOM 280 O THR A 18 -1.680 8.557 1.654 1.00 0.00 O ATOM 281 CB THR A 18 -0.633 11.398 2.303 1.00 0.00 C ATOM 282 OG1 THR A 18 -0.154 12.525 1.585 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.398 11.607 3.799 1.00 0.00 C ATOM 0 H THR A 18 -0.213 11.120 -0.031 1.00 0.00 H new ATOM 0 HA THR A 18 1.098 10.058 2.298 1.00 0.00 H new ATOM 0 HB THR A 18 -1.700 11.276 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.632 13.328 1.880 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.929 12.500 4.130 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.766 10.741 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.669 11.730 3.986 1.00 0.00 H new ATOM 291 N ARG A 19 -0.188 8.189 3.234 1.00 0.00 N ATOM 292 CA ARG A 19 -0.887 6.952 3.697 1.00 0.00 C ATOM 293 C ARG A 19 -2.350 7.263 4.011 1.00 0.00 C ATOM 294 O ARG A 19 -3.248 6.494 3.722 1.00 0.00 O ATOM 295 CB ARG A 19 -0.151 6.548 4.981 1.00 0.00 C ATOM 296 CG ARG A 19 -0.392 7.604 6.075 1.00 0.00 C ATOM 297 CD ARG A 19 0.553 7.350 7.252 1.00 0.00 C ATOM 298 NE ARG A 19 0.913 8.705 7.755 1.00 0.00 N ATOM 299 CZ ARG A 19 1.947 9.331 7.262 1.00 0.00 C ATOM 300 NH1 ARG A 19 3.106 8.734 7.206 1.00 0.00 N ATOM 301 NH2 ARG A 19 1.822 10.554 6.826 1.00 0.00 N ATOM 0 H ARG A 19 0.658 8.424 3.753 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.877 6.163 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.501 5.573 5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.917 6.452 4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.227 8.603 5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.428 7.563 6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.068 6.757 8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.438 6.798 6.936 1.00 0.00 H new ATOM 0 HE ARG A 19 0.352 9.144 8.485 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.204 7.778 7.547 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.914 9.223 6.821 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.916 11.021 6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.630 11.043 6.441 1.00 0.00 H new ATOM 315 N SER A 20 -2.579 8.394 4.609 1.00 0.00 N ATOM 316 CA SER A 20 -3.958 8.794 4.976 1.00 0.00 C ATOM 317 C SER A 20 -4.756 9.100 3.711 1.00 0.00 C ATOM 318 O SER A 20 -5.932 8.803 3.623 1.00 0.00 O ATOM 319 CB SER A 20 -3.758 10.028 5.855 1.00 0.00 C ATOM 320 OG SER A 20 -4.608 11.082 5.418 1.00 0.00 O ATOM 0 H SER A 20 -1.856 9.068 4.862 1.00 0.00 H new ATOM 0 HA SER A 20 -4.521 8.022 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.975 9.783 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.717 10.349 5.814 1.00 0.00 H new ATOM 0 HG SER A 20 -4.474 11.868 5.988 1.00 0.00 H new ATOM 326 N GLN A 21 -4.122 9.666 2.718 1.00 0.00 N ATOM 327 CA GLN A 21 -4.845 9.956 1.452 1.00 0.00 C ATOM 328 C GLN A 21 -5.302 8.639 0.837 1.00 0.00 C ATOM 329 O GLN A 21 -6.397 8.531 0.321 1.00 0.00 O ATOM 330 CB GLN A 21 -3.830 10.660 0.554 1.00 0.00 C ATOM 331 CG GLN A 21 -3.699 12.119 0.991 1.00 0.00 C ATOM 332 CD GLN A 21 -4.829 12.942 0.371 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.682 13.547 1.152 1.00 0.00 O flip ATOM 334 NE2 GLN A 21 -4.937 13.038 -0.835 1.00 0.00 N flip ATOM 0 H GLN A 21 -3.139 9.938 2.731 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.729 10.577 1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.863 10.161 0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.149 10.607 -0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.738 12.189 2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.733 12.517 0.681 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.271 12.565 -1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.694 13.591 -1.237 1.00 0.00 H new ATOM 343 N ALA A 22 -4.480 7.624 0.912 1.00 0.00 N ATOM 344 CA ALA A 22 -4.886 6.307 0.357 1.00 0.00 C ATOM 345 C ALA A 22 -6.073 5.783 1.161 1.00 0.00 C ATOM 346 O ALA A 22 -7.071 5.373 0.611 1.00 0.00 O ATOM 347 CB ALA A 22 -3.667 5.392 0.518 1.00 0.00 C ATOM 0 H ALA A 22 -3.551 7.654 1.332 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.189 6.363 -0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.901 4.402 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.824 5.809 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.408 5.313 1.574 1.00 0.00 H new ATOM 353 N GLU A 23 -5.972 5.812 2.466 1.00 0.00 N ATOM 354 CA GLU A 23 -7.104 5.332 3.315 1.00 0.00 C ATOM 355 C GLU A 23 -8.393 6.064 2.948 1.00 0.00 C ATOM 356 O GLU A 23 -9.415 5.450 2.708 1.00 0.00 O ATOM 357 CB GLU A 23 -6.714 5.675 4.755 1.00 0.00 C ATOM 358 CG GLU A 23 -5.502 4.851 5.178 1.00 0.00 C ATOM 359 CD GLU A 23 -5.235 5.066 6.670 1.00 0.00 C ATOM 360 OE1 GLU A 23 -6.167 4.930 7.444 1.00 0.00 O ATOM 361 OE2 GLU A 23 -4.102 5.362 7.011 1.00 0.00 O ATOM 0 H GLU A 23 -5.156 6.147 2.979 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.279 4.265 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.487 6.738 4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.551 5.476 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.679 3.794 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.628 5.144 4.595 1.00 0.00 H new ATOM 368 N GLN A 24 -8.364 7.371 2.919 1.00 0.00 N ATOM 369 CA GLN A 24 -9.603 8.118 2.587 1.00 0.00 C ATOM 370 C GLN A 24 -10.020 7.859 1.143 1.00 0.00 C ATOM 371 O GLN A 24 -11.168 7.555 0.885 1.00 0.00 O ATOM 372 CB GLN A 24 -9.297 9.601 2.828 1.00 0.00 C ATOM 373 CG GLN A 24 -8.187 10.086 1.896 1.00 0.00 C ATOM 374 CD GLN A 24 -7.849 11.540 2.229 1.00 0.00 C ATOM 375 OE1 GLN A 24 -8.002 12.417 1.402 1.00 0.00 O ATOM 376 NE2 GLN A 24 -7.393 11.835 3.416 1.00 0.00 N ATOM 0 H GLN A 24 -7.542 7.945 3.109 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.438 7.795 3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.198 10.193 2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.998 9.751 3.865 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.302 9.460 2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.506 10.003 0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.265 11.099 4.110 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.165 12.802 3.649 1.00 0.00 H new ATOM 385 N LEU A 25 -9.127 7.953 0.190 1.00 0.00 N ATOM 386 CA LEU A 25 -9.567 7.682 -1.203 1.00 0.00 C ATOM 387 C LEU A 25 -9.905 6.197 -1.345 1.00 0.00 C ATOM 388 O LEU A 25 -10.636 5.807 -2.227 1.00 0.00 O ATOM 389 CB LEU A 25 -8.426 8.112 -2.138 1.00 0.00 C ATOM 390 CG LEU A 25 -7.206 7.205 -1.968 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.366 5.961 -2.849 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.946 7.969 -2.396 1.00 0.00 C ATOM 0 H LEU A 25 -8.144 8.198 0.313 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.466 8.241 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.767 8.079 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.148 9.145 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.119 6.903 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.497 5.315 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.265 5.419 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.451 6.263 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.073 7.327 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.038 8.266 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.831 8.857 -1.775 1.00 0.00 H new ATOM 404 N LEU A 26 -9.410 5.365 -0.462 1.00 0.00 N ATOM 405 CA LEU A 26 -9.752 3.917 -0.547 1.00 0.00 C ATOM 406 C LEU A 26 -11.153 3.715 0.031 1.00 0.00 C ATOM 407 O LEU A 26 -12.058 3.270 -0.647 1.00 0.00 O ATOM 408 CB LEU A 26 -8.712 3.190 0.309 1.00 0.00 C ATOM 409 CG LEU A 26 -7.582 2.656 -0.581 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.443 2.118 0.294 1.00 0.00 C ATOM 411 CD2 LEU A 26 -8.119 1.527 -1.469 1.00 0.00 C ATOM 0 H LEU A 26 -8.790 5.625 0.305 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.744 3.542 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.306 3.870 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.182 2.367 0.847 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.205 3.465 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.643 1.740 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.058 2.920 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.818 1.311 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.316 1.148 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.499 0.720 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.925 1.909 -2.096 1.00 0.00 H new ATOM 423 N LYS A 27 -11.338 4.057 1.281 1.00 0.00 N ATOM 424 CA LYS A 27 -12.680 3.907 1.912 1.00 0.00 C ATOM 425 C LYS A 27 -13.731 4.710 1.140 1.00 0.00 C ATOM 426 O LYS A 27 -14.860 4.285 0.985 1.00 0.00 O ATOM 427 CB LYS A 27 -12.510 4.485 3.315 1.00 0.00 C ATOM 428 CG LYS A 27 -13.259 3.615 4.327 1.00 0.00 C ATOM 429 CD LYS A 27 -14.596 4.270 4.667 1.00 0.00 C ATOM 430 CE LYS A 27 -15.624 3.189 5.007 1.00 0.00 C ATOM 431 NZ LYS A 27 -15.553 3.042 6.487 1.00 0.00 N ATOM 0 H LYS A 27 -10.614 4.435 1.892 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.016 2.870 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.452 4.531 3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.891 5.506 3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.424 2.619 3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.661 3.492 5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.476 4.950 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.945 4.866 3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.624 3.481 4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.390 2.250 4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.937 2.116 6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.562 3.112 6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.110 3.796 6.938 1.00 0.00 H new ATOM 445 N GLN A 28 -13.372 5.875 0.678 1.00 0.00 N ATOM 446 CA GLN A 28 -14.356 6.722 -0.061 1.00 0.00 C ATOM 447 C GLN A 28 -14.585 6.210 -1.493 1.00 0.00 C ATOM 448 O GLN A 28 -15.693 6.249 -1.991 1.00 0.00 O ATOM 449 CB GLN A 28 -13.747 8.121 -0.074 1.00 0.00 C ATOM 450 CG GLN A 28 -14.864 9.162 -0.113 1.00 0.00 C ATOM 451 CD GLN A 28 -15.356 9.437 1.308 1.00 0.00 C ATOM 452 OE1 GLN A 28 -14.602 9.885 2.148 1.00 0.00 O ATOM 453 NE2 GLN A 28 -16.599 9.184 1.617 1.00 0.00 N ATOM 0 H GLN A 28 -12.441 6.279 0.779 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.335 6.704 0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.129 8.268 0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.096 8.238 -0.940 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.501 10.084 -0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.687 8.804 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.233 8.808 0.912 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.936 9.363 2.563 1.00 0.00 H new ATOM 462 N GLU A 29 -13.566 5.722 -2.161 1.00 0.00 N ATOM 463 CA GLU A 29 -13.777 5.211 -3.551 1.00 0.00 C ATOM 464 C GLU A 29 -14.737 4.022 -3.482 1.00 0.00 C ATOM 465 O GLU A 29 -15.591 3.848 -4.329 1.00 0.00 O ATOM 466 CB GLU A 29 -12.384 4.808 -4.067 1.00 0.00 C ATOM 467 CG GLU A 29 -12.412 4.603 -5.587 1.00 0.00 C ATOM 468 CD GLU A 29 -12.901 5.880 -6.273 1.00 0.00 C ATOM 469 OE1 GLU A 29 -12.285 6.913 -6.067 1.00 0.00 O ATOM 470 OE2 GLU A 29 -13.884 5.804 -6.993 1.00 0.00 O ATOM 0 H GLU A 29 -12.611 5.656 -1.809 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.218 5.946 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.658 5.580 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.060 3.890 -3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.416 4.344 -5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.068 3.770 -5.839 1.00 0.00 H new ATOM 477 N GLY A 30 -14.627 3.232 -2.446 1.00 0.00 N ATOM 478 CA GLY A 30 -15.554 2.086 -2.274 1.00 0.00 C ATOM 479 C GLY A 30 -15.099 0.878 -3.095 1.00 0.00 C ATOM 480 O GLY A 30 -15.905 0.138 -3.624 1.00 0.00 O ATOM 0 H GLY A 30 -13.929 3.336 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.608 1.813 -1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.559 2.379 -2.579 1.00 0.00 H new ATOM 484 N LYS A 31 -13.818 0.667 -3.199 1.00 0.00 N ATOM 485 CA LYS A 31 -13.311 -0.502 -3.977 1.00 0.00 C ATOM 486 C LYS A 31 -12.742 -1.555 -3.030 1.00 0.00 C ATOM 487 O LYS A 31 -11.612 -1.448 -2.594 1.00 0.00 O ATOM 488 CB LYS A 31 -12.189 0.059 -4.854 1.00 0.00 C ATOM 489 CG LYS A 31 -12.614 1.403 -5.459 1.00 0.00 C ATOM 490 CD LYS A 31 -13.887 1.222 -6.293 1.00 0.00 C ATOM 491 CE LYS A 31 -13.552 0.480 -7.588 1.00 0.00 C ATOM 492 NZ LYS A 31 -14.798 -0.255 -7.947 1.00 0.00 N ATOM 0 H LYS A 31 -13.097 1.253 -2.779 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.100 -0.975 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.284 0.188 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.951 -0.647 -5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.789 2.129 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.813 1.800 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.630 0.663 -5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.325 2.194 -6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.263 1.174 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.717 -0.206 -7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.645 -0.788 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.045 -0.914 -7.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.574 0.424 -8.084 1.00 0.00 H new ATOM 506 N GLU A 32 -13.494 -2.576 -2.700 1.00 0.00 N ATOM 507 CA GLU A 32 -12.936 -3.606 -1.775 1.00 0.00 C ATOM 508 C GLU A 32 -11.693 -4.234 -2.394 1.00 0.00 C ATOM 509 O GLU A 32 -11.740 -4.819 -3.458 1.00 0.00 O ATOM 510 CB GLU A 32 -14.014 -4.666 -1.547 1.00 0.00 C ATOM 511 CG GLU A 32 -14.659 -5.068 -2.879 1.00 0.00 C ATOM 512 CD GLU A 32 -16.081 -4.507 -2.950 1.00 0.00 C ATOM 513 OE1 GLU A 32 -16.854 -4.792 -2.051 1.00 0.00 O ATOM 514 OE2 GLU A 32 -16.372 -3.801 -3.902 1.00 0.00 O ATOM 0 H GLU A 32 -14.448 -2.738 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.651 -3.156 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.576 -5.542 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.775 -4.280 -0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.066 -4.689 -3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.680 -6.154 -2.971 1.00 0.00 H new ATOM 521 N GLY A 33 -10.583 -4.105 -1.732 1.00 0.00 N ATOM 522 CA GLY A 33 -9.327 -4.674 -2.260 1.00 0.00 C ATOM 523 C GLY A 33 -8.584 -3.614 -3.084 1.00 0.00 C ATOM 524 O GLY A 33 -7.662 -3.927 -3.812 1.00 0.00 O ATOM 0 H GLY A 33 -10.495 -3.623 -0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.698 -5.016 -1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.543 -5.544 -2.880 1.00 0.00 H new ATOM 528 N GLY A 34 -8.962 -2.359 -2.972 1.00 0.00 N ATOM 529 CA GLY A 34 -8.258 -1.298 -3.748 1.00 0.00 C ATOM 530 C GLY A 34 -6.764 -1.420 -3.483 1.00 0.00 C ATOM 531 O GLY A 34 -6.353 -1.729 -2.385 1.00 0.00 O ATOM 0 H GLY A 34 -9.724 -2.031 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.464 -1.407 -4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.616 -0.312 -3.453 1.00 0.00 H new ATOM 535 N PHE A 35 -5.952 -1.215 -4.480 1.00 0.00 N ATOM 536 CA PHE A 35 -4.486 -1.359 -4.272 1.00 0.00 C ATOM 537 C PHE A 35 -3.729 -0.120 -4.758 1.00 0.00 C ATOM 538 O PHE A 35 -3.840 0.281 -5.900 1.00 0.00 O ATOM 539 CB PHE A 35 -4.109 -2.583 -5.103 1.00 0.00 C ATOM 540 CG PHE A 35 -2.651 -2.904 -4.892 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.681 -2.277 -5.681 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.269 -3.830 -3.916 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.326 -2.579 -5.496 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.915 -4.131 -3.729 1.00 0.00 C ATOM 545 CZ PHE A 35 0.057 -3.506 -4.520 1.00 0.00 C ATOM 0 H PHE A 35 -6.237 -0.956 -5.424 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.229 -1.469 -3.218 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.725 -3.435 -4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.301 -2.392 -6.159 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.977 -1.560 -6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.019 -4.313 -3.307 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.423 -2.097 -6.106 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.620 -4.845 -2.975 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.102 -3.739 -4.377 1.00 0.00 H new ATOM 555 N ILE A 36 -2.949 0.483 -3.896 1.00 0.00 N ATOM 556 CA ILE A 36 -2.169 1.688 -4.303 1.00 0.00 C ATOM 557 C ILE A 36 -0.733 1.576 -3.782 1.00 0.00 C ATOM 558 O ILE A 36 -0.447 0.791 -2.901 1.00 0.00 O ATOM 559 CB ILE A 36 -2.884 2.880 -3.659 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.398 2.767 -3.905 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.350 4.176 -4.276 1.00 0.00 C ATOM 562 CD1 ILE A 36 -5.096 4.080 -3.533 1.00 0.00 C ATOM 0 H ILE A 36 -2.820 0.191 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.114 1.796 -5.386 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.699 2.886 -2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.587 2.531 -4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.809 1.948 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.854 5.029 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.278 4.250 -4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.538 4.172 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.167 3.986 -3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.922 4.299 -2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.696 4.890 -4.143 1.00 0.00 H new ATOM 574 N VAL A 37 0.170 2.349 -4.320 1.00 0.00 N ATOM 575 CA VAL A 37 1.586 2.283 -3.854 1.00 0.00 C ATOM 576 C VAL A 37 2.248 3.656 -3.982 1.00 0.00 C ATOM 577 O VAL A 37 1.793 4.507 -4.723 1.00 0.00 O ATOM 578 CB VAL A 37 2.274 1.274 -4.775 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.727 1.091 -4.331 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.550 -0.073 -4.701 1.00 0.00 C ATOM 0 H VAL A 37 -0.011 3.024 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 37 1.656 1.987 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 37 2.245 1.644 -5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.220 0.372 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.247 2.047 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.750 0.723 -3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.044 -0.788 -5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.576 -0.444 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.514 0.053 -5.015 1.00 0.00 H new ATOM 590 N ARG A 38 3.321 3.879 -3.270 1.00 0.00 N ATOM 591 CA ARG A 38 4.013 5.200 -3.359 1.00 0.00 C ATOM 592 C ARG A 38 5.478 5.070 -2.935 1.00 0.00 C ATOM 593 O ARG A 38 5.860 4.132 -2.263 1.00 0.00 O ATOM 594 CB ARG A 38 3.256 6.117 -2.394 1.00 0.00 C ATOM 595 CG ARG A 38 3.292 5.529 -0.979 1.00 0.00 C ATOM 596 CD ARG A 38 4.487 6.109 -0.218 1.00 0.00 C ATOM 597 NE ARG A 38 3.986 6.337 1.167 1.00 0.00 N ATOM 598 CZ ARG A 38 4.112 7.512 1.719 1.00 0.00 C ATOM 599 NH1 ARG A 38 5.291 8.060 1.827 1.00 0.00 N ATOM 600 NH2 ARG A 38 3.058 8.140 2.165 1.00 0.00 N ATOM 0 H ARG A 38 3.748 3.207 -2.633 1.00 0.00 H new ATOM 0 HA ARG A 38 4.013 5.590 -4.377 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.704 7.111 -2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.223 6.233 -2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.365 5.760 -0.454 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.369 4.443 -1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.331 5.420 -0.224 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.831 7.039 -0.672 1.00 0.00 H new ATOM 0 HE ARG A 38 3.545 5.575 1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.115 7.570 1.480 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.389 8.979 2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.136 7.712 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.157 9.059 2.597 1.00 0.00 H new ATOM 614 N ASP A 39 6.302 6.009 -3.324 1.00 0.00 N ATOM 615 CA ASP A 39 7.745 5.944 -2.943 1.00 0.00 C ATOM 616 C ASP A 39 7.934 6.433 -1.505 1.00 0.00 C ATOM 617 O ASP A 39 7.065 7.063 -0.934 1.00 0.00 O ATOM 618 CB ASP A 39 8.457 6.878 -3.924 1.00 0.00 C ATOM 619 CG ASP A 39 9.971 6.715 -3.775 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.450 5.611 -3.968 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.624 7.699 -3.470 1.00 0.00 O ATOM 0 H ASP A 39 6.038 6.817 -3.888 1.00 0.00 H new ATOM 0 HA ASP A 39 8.139 4.929 -2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.155 6.649 -4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.171 7.912 -3.731 1.00 0.00 H new ATOM 626 N SER A 40 9.064 6.145 -0.914 1.00 0.00 N ATOM 627 CA SER A 40 9.312 6.589 0.491 1.00 0.00 C ATOM 628 C SER A 40 10.378 7.690 0.519 1.00 0.00 C ATOM 629 O SER A 40 10.554 8.419 -0.437 1.00 0.00 O ATOM 630 CB SER A 40 9.809 5.341 1.216 1.00 0.00 C ATOM 631 OG SER A 40 10.043 5.653 2.583 1.00 0.00 O ATOM 0 H SER A 40 9.827 5.621 -1.343 1.00 0.00 H new ATOM 0 HA SER A 40 8.419 7.003 0.958 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.072 4.542 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.726 4.978 0.752 1.00 0.00 H new ATOM 0 HG SER A 40 9.284 5.349 3.123 1.00 0.00 H new ATOM 637 N SER A 41 11.089 7.817 1.611 1.00 0.00 N ATOM 638 CA SER A 41 12.141 8.872 1.699 1.00 0.00 C ATOM 639 C SER A 41 13.301 8.393 2.577 1.00 0.00 C ATOM 640 O SER A 41 14.448 8.416 2.172 1.00 0.00 O ATOM 641 CB SER A 41 11.445 10.074 2.337 1.00 0.00 C ATOM 642 OG SER A 41 11.144 11.032 1.331 1.00 0.00 O ATOM 0 H SER A 41 10.986 7.236 2.443 1.00 0.00 H new ATOM 0 HA SER A 41 12.563 9.116 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.530 9.756 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.087 10.518 3.098 1.00 0.00 H new ATOM 0 HG SER A 41 10.882 10.570 0.507 1.00 0.00 H new ATOM 648 N LYS A 42 13.013 7.959 3.776 1.00 0.00 N ATOM 649 CA LYS A 42 14.099 7.478 4.683 1.00 0.00 C ATOM 650 C LYS A 42 14.880 6.339 4.015 1.00 0.00 C ATOM 651 O LYS A 42 16.037 6.486 3.671 1.00 0.00 O ATOM 652 CB LYS A 42 13.378 6.974 5.936 1.00 0.00 C ATOM 653 CG LYS A 42 12.571 8.116 6.560 1.00 0.00 C ATOM 654 CD LYS A 42 11.192 7.601 6.980 1.00 0.00 C ATOM 655 CE LYS A 42 10.160 8.723 6.836 1.00 0.00 C ATOM 656 NZ LYS A 42 8.945 8.060 6.286 1.00 0.00 N ATOM 0 H LYS A 42 12.072 7.916 4.167 1.00 0.00 H new ATOM 0 HA LYS A 42 14.819 8.262 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.717 6.146 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.102 6.592 6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.099 8.518 7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.463 8.932 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.907 6.749 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.222 7.251 8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.952 9.194 7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.519 9.506 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.192 8.766 6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.171 7.627 5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.622 7.324 6.946 1.00 0.00 H new ATOM 670 N ALA A 43 14.251 5.211 3.823 1.00 0.00 N ATOM 671 CA ALA A 43 14.947 4.063 3.167 1.00 0.00 C ATOM 672 C ALA A 43 14.788 4.148 1.653 1.00 0.00 C ATOM 673 O ALA A 43 15.460 3.461 0.908 1.00 0.00 O ATOM 674 CB ALA A 43 14.233 2.811 3.678 1.00 0.00 C ATOM 0 H ALA A 43 13.283 5.033 4.092 1.00 0.00 H new ATOM 0 HA ALA A 43 16.013 4.058 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.691 1.926 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.318 2.761 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.180 2.852 3.398 1.00 0.00 H new ATOM 680 N GLY A 44 13.871 4.952 1.194 1.00 0.00 N ATOM 681 CA GLY A 44 13.634 5.040 -0.269 1.00 0.00 C ATOM 682 C GLY A 44 12.886 3.776 -0.686 1.00 0.00 C ATOM 683 O GLY A 44 12.979 3.323 -1.810 1.00 0.00 O ATOM 0 H GLY A 44 13.278 5.550 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.051 5.929 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.579 5.122 -0.807 1.00 0.00 H new ATOM 687 N LYS A 45 12.149 3.198 0.231 1.00 0.00 N ATOM 688 CA LYS A 45 11.397 1.955 -0.082 1.00 0.00 C ATOM 689 C LYS A 45 10.008 2.304 -0.623 1.00 0.00 C ATOM 690 O LYS A 45 9.665 3.462 -0.763 1.00 0.00 O ATOM 691 CB LYS A 45 11.285 1.208 1.248 1.00 0.00 C ATOM 692 CG LYS A 45 10.452 2.025 2.243 1.00 0.00 C ATOM 693 CD LYS A 45 11.054 1.896 3.643 1.00 0.00 C ATOM 694 CE LYS A 45 10.962 3.240 4.369 1.00 0.00 C ATOM 695 NZ LYS A 45 11.331 2.941 5.781 1.00 0.00 N ATOM 0 H LYS A 45 12.039 3.540 1.186 1.00 0.00 H new ATOM 0 HA LYS A 45 11.893 1.352 -0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.823 0.234 1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.279 1.026 1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.430 3.072 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.421 1.672 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.524 1.129 4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.095 1.579 3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.640 3.973 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.957 3.656 4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.291 3.815 6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.665 2.246 6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.295 2.553 5.813 1.00 0.00 H new ATOM 709 N TYR A 46 9.204 1.319 -0.922 1.00 0.00 N ATOM 710 CA TYR A 46 7.837 1.610 -1.451 1.00 0.00 C ATOM 711 C TYR A 46 6.771 1.162 -0.444 1.00 0.00 C ATOM 712 O TYR A 46 7.002 0.290 0.374 1.00 0.00 O ATOM 713 CB TYR A 46 7.713 0.798 -2.749 1.00 0.00 C ATOM 714 CG TYR A 46 8.875 1.086 -3.685 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.587 2.291 -3.591 1.00 0.00 C ATOM 716 CD2 TYR A 46 9.238 0.139 -4.652 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.655 2.546 -4.460 1.00 0.00 C ATOM 718 CE2 TYR A 46 10.307 0.395 -5.520 1.00 0.00 C ATOM 719 CZ TYR A 46 11.015 1.598 -5.424 1.00 0.00 C ATOM 720 OH TYR A 46 12.068 1.849 -6.279 1.00 0.00 O ATOM 0 H TYR A 46 9.432 0.330 -0.824 1.00 0.00 H new ATOM 0 HA TYR A 46 7.691 2.676 -1.625 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.685 -0.266 -2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.773 1.040 -3.245 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.311 3.023 -2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.692 -0.790 -4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.201 3.475 -4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.585 -0.337 -6.264 1.00 0.00 H new ATOM 0 HH TYR A 46 12.186 1.088 -6.885 1.00 0.00 H new ATOM 730 N THR A 47 5.603 1.746 -0.505 1.00 0.00 N ATOM 731 CA THR A 47 4.513 1.350 0.435 1.00 0.00 C ATOM 732 C THR A 47 3.268 0.962 -0.361 1.00 0.00 C ATOM 733 O THR A 47 2.867 1.659 -1.269 1.00 0.00 O ATOM 734 CB THR A 47 4.238 2.589 1.295 1.00 0.00 C ATOM 735 OG1 THR A 47 5.406 2.919 2.032 1.00 0.00 O ATOM 736 CG2 THR A 47 3.083 2.303 2.266 1.00 0.00 C ATOM 0 H THR A 47 5.356 2.482 -1.167 1.00 0.00 H new ATOM 0 HA THR A 47 4.789 0.494 1.051 1.00 0.00 H new ATOM 0 HB THR A 47 3.964 3.423 0.649 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.233 3.712 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.892 3.187 2.875 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.186 2.051 1.700 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.350 1.468 2.913 1.00 0.00 H new ATOM 744 N VAL A 48 2.661 -0.146 -0.029 1.00 0.00 N ATOM 745 CA VAL A 48 1.442 -0.583 -0.774 1.00 0.00 C ATOM 746 C VAL A 48 0.181 -0.320 0.060 1.00 0.00 C ATOM 747 O VAL A 48 -0.003 -0.885 1.117 1.00 0.00 O ATOM 748 CB VAL A 48 1.645 -2.082 -1.004 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.345 -2.716 -1.500 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.740 -2.290 -2.053 1.00 0.00 C ATOM 0 H VAL A 48 2.955 -0.767 0.725 1.00 0.00 H new ATOM 0 HA VAL A 48 1.309 -0.041 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 48 1.937 -2.551 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.499 -3.783 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.438 -2.571 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.046 -2.247 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.887 -3.357 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.443 -1.815 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.671 -1.846 -1.700 1.00 0.00 H new ATOM 760 N SER A 49 -0.685 0.534 -0.415 1.00 0.00 N ATOM 761 CA SER A 49 -1.935 0.843 0.341 1.00 0.00 C ATOM 762 C SER A 49 -3.129 0.094 -0.258 1.00 0.00 C ATOM 763 O SER A 49 -3.511 0.331 -1.387 1.00 0.00 O ATOM 764 CB SER A 49 -2.127 2.348 0.170 1.00 0.00 C ATOM 765 OG SER A 49 -1.392 3.035 1.173 1.00 0.00 O ATOM 0 H SER A 49 -0.581 1.034 -1.298 1.00 0.00 H new ATOM 0 HA SER A 49 -1.864 0.543 1.387 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.791 2.658 -0.819 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.185 2.601 0.241 1.00 0.00 H new ATOM 0 HG SER A 49 -1.609 2.660 2.052 1.00 0.00 H new ATOM 771 N VAL A 50 -3.729 -0.799 0.486 1.00 0.00 N ATOM 772 CA VAL A 50 -4.905 -1.542 -0.063 1.00 0.00 C ATOM 773 C VAL A 50 -6.069 -1.513 0.938 1.00 0.00 C ATOM 774 O VAL A 50 -5.859 -1.604 2.134 1.00 0.00 O ATOM 775 CB VAL A 50 -4.416 -2.983 -0.283 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.105 -2.974 -1.074 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.182 -3.670 1.067 1.00 0.00 C ATOM 0 H VAL A 50 -3.461 -1.045 1.439 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.271 -1.097 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.177 -3.528 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.765 -3.998 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.267 -2.498 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.349 -2.419 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.836 -4.690 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.429 -3.119 1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.114 -3.691 1.631 1.00 0.00 H new ATOM 787 N PHE A 51 -7.295 -1.393 0.477 1.00 0.00 N ATOM 788 CA PHE A 51 -8.435 -1.375 1.447 1.00 0.00 C ATOM 789 C PHE A 51 -9.593 -2.236 0.942 1.00 0.00 C ATOM 790 O PHE A 51 -9.652 -2.588 -0.216 1.00 0.00 O ATOM 791 CB PHE A 51 -8.858 0.099 1.552 1.00 0.00 C ATOM 792 CG PHE A 51 -10.329 0.253 1.224 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.760 0.185 -0.105 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.262 0.451 2.250 1.00 0.00 C ATOM 795 CE1 PHE A 51 -12.118 0.316 -0.408 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.621 0.580 1.946 1.00 0.00 C ATOM 797 CZ PHE A 51 -13.049 0.513 0.617 1.00 0.00 C ATOM 0 H PHE A 51 -7.550 -1.309 -0.507 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.146 -1.783 2.416 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.663 0.469 2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.262 0.704 0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -10.043 0.031 -0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.932 0.504 3.277 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.449 0.265 -1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.340 0.731 2.738 1.00 0.00 H new ATOM 0 HZ PHE A 51 -14.098 0.613 0.382 1.00 0.00 H new ATOM 807 N ALA A 52 -10.533 -2.545 1.801 1.00 0.00 N ATOM 808 CA ALA A 52 -11.709 -3.354 1.364 1.00 0.00 C ATOM 809 C ALA A 52 -12.898 -3.147 2.301 1.00 0.00 C ATOM 810 O ALA A 52 -12.756 -2.693 3.415 1.00 0.00 O ATOM 811 CB ALA A 52 -11.265 -4.811 1.401 1.00 0.00 C ATOM 0 H ALA A 52 -10.536 -2.272 2.784 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.032 -3.055 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.090 -5.451 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.421 -4.952 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.965 -5.074 2.415 1.00 0.00 H new ATOM 817 N LYS A 53 -14.073 -3.483 1.845 1.00 0.00 N ATOM 818 CA LYS A 53 -15.288 -3.317 2.689 1.00 0.00 C ATOM 819 C LYS A 53 -15.824 -4.690 3.114 1.00 0.00 C ATOM 820 O LYS A 53 -17.013 -4.940 3.074 1.00 0.00 O ATOM 821 CB LYS A 53 -16.284 -2.616 1.771 1.00 0.00 C ATOM 822 CG LYS A 53 -15.747 -1.233 1.392 1.00 0.00 C ATOM 823 CD LYS A 53 -16.383 -0.166 2.284 1.00 0.00 C ATOM 824 CE LYS A 53 -17.891 -0.109 2.025 1.00 0.00 C ATOM 825 NZ LYS A 53 -18.082 1.064 1.127 1.00 0.00 N ATOM 0 H LYS A 53 -14.244 -3.868 0.916 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.097 -2.756 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.449 -3.212 0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.248 -2.519 2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.663 -1.212 1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.966 -1.022 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.193 -0.394 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.933 0.806 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.246 -1.027 1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -18.447 0.011 2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.092 1.169 0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.741 1.924 1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.546 0.919 0.247 1.00 0.00 H new ATOM 839 N SER A 54 -14.955 -5.583 3.512 1.00 0.00 N ATOM 840 CA SER A 54 -15.415 -6.942 3.934 1.00 0.00 C ATOM 841 C SER A 54 -14.319 -7.645 4.744 1.00 0.00 C ATOM 842 O SER A 54 -13.640 -8.526 4.255 1.00 0.00 O ATOM 843 CB SER A 54 -15.682 -7.691 2.630 1.00 0.00 C ATOM 844 OG SER A 54 -15.891 -9.067 2.913 1.00 0.00 O ATOM 0 H SER A 54 -13.948 -5.431 3.563 1.00 0.00 H new ATOM 0 HA SER A 54 -16.300 -6.900 4.569 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.556 -7.274 2.130 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.839 -7.572 1.950 1.00 0.00 H new ATOM 0 HG SER A 54 -15.039 -9.483 3.162 1.00 0.00 H new ATOM 850 N THR A 55 -14.145 -7.257 5.979 1.00 0.00 N ATOM 851 CA THR A 55 -13.096 -7.888 6.840 1.00 0.00 C ATOM 852 C THR A 55 -13.308 -7.429 8.284 1.00 0.00 C ATOM 853 O THR A 55 -14.431 -7.218 8.701 1.00 0.00 O ATOM 854 CB THR A 55 -11.750 -7.382 6.300 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.920 -6.781 5.023 1.00 0.00 O ATOM 856 CG2 THR A 55 -10.771 -8.551 6.187 1.00 0.00 C ATOM 0 H THR A 55 -14.688 -6.524 6.434 1.00 0.00 H new ATOM 0 HA THR A 55 -13.134 -8.977 6.822 1.00 0.00 H new ATOM 0 HB THR A 55 -11.355 -6.636 6.990 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.054 -6.463 4.693 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.816 -8.190 5.804 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.622 -8.997 7.170 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.176 -9.300 5.506 1.00 0.00 H new ATOM 864 N GLY A 56 -12.255 -7.243 9.050 1.00 0.00 N ATOM 865 CA GLY A 56 -12.438 -6.758 10.454 1.00 0.00 C ATOM 866 C GLY A 56 -13.398 -5.568 10.416 1.00 0.00 C ATOM 867 O GLY A 56 -14.187 -5.351 11.315 1.00 0.00 O ATOM 0 H GLY A 56 -11.289 -7.405 8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.839 -7.552 11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.481 -6.463 10.884 1.00 0.00 H new ATOM 871 N ASP A 57 -13.349 -4.822 9.343 1.00 0.00 N ATOM 872 CA ASP A 57 -14.261 -3.665 9.171 1.00 0.00 C ATOM 873 C ASP A 57 -15.134 -3.923 7.935 1.00 0.00 C ATOM 874 O ASP A 57 -14.799 -3.505 6.847 1.00 0.00 O ATOM 875 CB ASP A 57 -13.340 -2.475 8.934 1.00 0.00 C ATOM 876 CG ASP A 57 -13.918 -1.234 9.617 1.00 0.00 C ATOM 877 OD1 ASP A 57 -15.103 -0.994 9.459 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.164 -0.546 10.286 1.00 0.00 O ATOM 0 H ASP A 57 -12.702 -4.973 8.569 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.918 -3.496 10.024 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.346 -2.688 9.326 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.229 -2.295 7.865 1.00 0.00 H new ATOM 883 N PRO A 58 -16.221 -4.623 8.130 1.00 0.00 N ATOM 884 CA PRO A 58 -17.127 -4.961 7.003 1.00 0.00 C ATOM 885 C PRO A 58 -17.512 -3.731 6.183 1.00 0.00 C ATOM 886 O PRO A 58 -17.955 -3.843 5.057 1.00 0.00 O ATOM 887 CB PRO A 58 -18.340 -5.545 7.724 1.00 0.00 C ATOM 888 CG PRO A 58 -18.062 -5.558 9.238 1.00 0.00 C ATOM 889 CD PRO A 58 -16.620 -5.101 9.473 1.00 0.00 C ATOM 0 HA PRO A 58 -16.673 -5.638 6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.228 -4.951 7.509 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.539 -6.556 7.369 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.757 -4.898 9.756 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.212 -6.559 9.642 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.560 -4.310 10.221 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.986 -5.917 9.820 1.00 0.00 H new ATOM 897 N GLN A 59 -17.370 -2.567 6.738 1.00 0.00 N ATOM 898 CA GLN A 59 -17.755 -1.341 5.982 1.00 0.00 C ATOM 899 C GLN A 59 -16.551 -0.427 5.721 1.00 0.00 C ATOM 900 O GLN A 59 -16.719 0.753 5.486 1.00 0.00 O ATOM 901 CB GLN A 59 -18.772 -0.633 6.875 1.00 0.00 C ATOM 902 CG GLN A 59 -18.196 -0.499 8.285 1.00 0.00 C ATOM 903 CD GLN A 59 -18.827 0.702 8.989 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.972 0.655 9.390 1.00 0.00 O ATOM 905 NE2 GLN A 59 -18.121 1.786 9.157 1.00 0.00 N ATOM 0 H GLN A 59 -17.006 -2.406 7.677 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.157 -1.593 5.001 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.006 0.351 6.470 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.705 -1.197 6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.388 -1.408 8.854 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.114 -0.376 8.236 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -17.159 1.825 8.820 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -18.531 2.594 9.625 1.00 0.00 H new ATOM 914 N GLY A 60 -15.345 -0.941 5.737 1.00 0.00 N ATOM 915 CA GLY A 60 -14.184 -0.051 5.463 1.00 0.00 C ATOM 916 C GLY A 60 -12.887 -0.612 6.059 1.00 0.00 C ATOM 917 O GLY A 60 -12.620 -0.460 7.235 1.00 0.00 O ATOM 0 H GLY A 60 -15.121 -1.918 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.066 0.073 4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.377 0.938 5.878 1.00 0.00 H new ATOM 921 N VAL A 61 -12.065 -1.232 5.249 1.00 0.00 N ATOM 922 CA VAL A 61 -10.771 -1.780 5.765 1.00 0.00 C ATOM 923 C VAL A 61 -9.608 -1.249 4.945 1.00 0.00 C ATOM 924 O VAL A 61 -9.683 -1.138 3.747 1.00 0.00 O ATOM 925 CB VAL A 61 -10.860 -3.297 5.604 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.522 -3.933 5.987 1.00 0.00 C ATOM 927 CG2 VAL A 61 -11.960 -3.843 6.506 1.00 0.00 C ATOM 0 H VAL A 61 -12.233 -1.383 4.254 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.607 -1.490 6.803 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.091 -3.537 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.587 -5.015 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.736 -3.546 5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.288 -3.692 7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.022 -4.925 6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.732 -3.602 7.544 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.914 -3.393 6.230 1.00 0.00 H new ATOM 937 N ILE A 62 -8.539 -0.909 5.600 1.00 0.00 N ATOM 938 CA ILE A 62 -7.354 -0.358 4.880 1.00 0.00 C ATOM 939 C ILE A 62 -6.052 -0.825 5.537 1.00 0.00 C ATOM 940 O ILE A 62 -6.026 -1.199 6.693 1.00 0.00 O ATOM 941 CB ILE A 62 -7.490 1.164 5.009 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.940 1.506 5.389 1.00 0.00 C ATOM 943 CG2 ILE A 62 -7.117 1.821 3.674 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.147 3.012 5.420 1.00 0.00 C ATOM 0 H ILE A 62 -8.430 -0.988 6.611 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.320 -0.690 3.842 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.821 1.538 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.625 1.055 4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.175 1.082 6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.213 2.903 3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.088 1.567 3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.785 1.460 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.180 3.232 5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.476 3.456 6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.934 3.429 4.436 1.00 0.00 H new ATOM 956 N ARG A 63 -4.971 -0.795 4.804 1.00 0.00 N ATOM 957 CA ARG A 63 -3.659 -1.225 5.374 1.00 0.00 C ATOM 958 C ARG A 63 -2.531 -0.887 4.394 1.00 0.00 C ATOM 959 O ARG A 63 -2.575 -1.258 3.237 1.00 0.00 O ATOM 960 CB ARG A 63 -3.779 -2.739 5.559 1.00 0.00 C ATOM 961 CG ARG A 63 -2.955 -3.171 6.773 1.00 0.00 C ATOM 962 CD ARG A 63 -3.276 -4.628 7.118 1.00 0.00 C ATOM 963 NE ARG A 63 -1.981 -5.212 7.568 1.00 0.00 N ATOM 964 CZ ARG A 63 -1.949 -6.414 8.077 1.00 0.00 C ATOM 965 NH1 ARG A 63 -2.491 -6.645 9.240 1.00 0.00 N ATOM 966 NH2 ARG A 63 -1.374 -7.385 7.421 1.00 0.00 N ATOM 0 H ARG A 63 -4.939 -0.490 3.831 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.429 -0.723 6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.824 -3.018 5.697 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.427 -3.254 4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.891 -3.063 6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.177 -2.527 7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.031 -4.691 7.902 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.670 -5.161 6.253 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.120 -4.673 7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.940 -5.886 9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.466 -7.584 9.637 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.950 -7.205 6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.349 -8.324 7.818 1.00 0.00 H new ATOM 980 N HIS A 64 -1.523 -0.182 4.842 1.00 0.00 N ATOM 981 CA HIS A 64 -0.402 0.177 3.920 1.00 0.00 C ATOM 982 C HIS A 64 0.793 -0.743 4.150 1.00 0.00 C ATOM 983 O HIS A 64 1.526 -0.598 5.109 1.00 0.00 O ATOM 984 CB HIS A 64 -0.012 1.622 4.252 1.00 0.00 C ATOM 985 CG HIS A 64 -1.246 2.451 4.472 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.274 2.504 3.545 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.633 3.261 5.509 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.222 3.317 4.039 1.00 0.00 C ATOM 989 NE2 HIS A 64 -2.882 3.807 5.234 1.00 0.00 N ATOM 0 H HIS A 64 -1.427 0.158 5.799 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.707 0.072 2.879 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.613 1.642 5.144 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.579 2.044 3.439 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.056 3.446 6.403 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.147 3.547 3.531 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.422 4.444 5.819 1.00 0.00 H new ATOM 997 N TYR A 65 1.009 -1.672 3.264 1.00 0.00 N ATOM 998 CA TYR A 65 2.176 -2.584 3.415 1.00 0.00 C ATOM 999 C TYR A 65 3.418 -1.863 2.920 1.00 0.00 C ATOM 1000 O TYR A 65 3.477 -1.425 1.793 1.00 0.00 O ATOM 1001 CB TYR A 65 1.896 -3.779 2.514 1.00 0.00 C ATOM 1002 CG TYR A 65 0.456 -4.225 2.653 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.157 -4.240 3.912 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.261 -4.627 1.521 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.485 -4.657 4.039 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.588 -5.047 1.648 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.202 -5.061 2.906 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.513 -5.475 3.030 1.00 0.00 O ATOM 0 H TYR A 65 0.429 -1.840 2.442 1.00 0.00 H new ATOM 0 HA TYR A 65 2.328 -2.891 4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.102 -3.515 1.477 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.564 -4.601 2.773 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.397 -3.929 4.786 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.211 -4.613 0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.958 -4.668 5.010 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.140 -5.361 0.775 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.784 -5.426 3.971 1.00 0.00 H new ATOM 1018 N VAL A 66 4.409 -1.729 3.741 1.00 0.00 N ATOM 1019 CA VAL A 66 5.635 -1.020 3.285 1.00 0.00 C ATOM 1020 C VAL A 66 6.807 -1.986 3.205 1.00 0.00 C ATOM 1021 O VAL A 66 6.755 -3.086 3.717 1.00 0.00 O ATOM 1022 CB VAL A 66 5.914 0.058 4.330 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.076 0.933 3.847 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.668 0.929 4.529 1.00 0.00 C ATOM 0 H VAL A 66 4.430 -2.074 4.701 1.00 0.00 H new ATOM 0 HA VAL A 66 5.498 -0.591 2.292 1.00 0.00 H new ATOM 0 HB VAL A 66 6.173 -0.414 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.282 1.706 4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.964 0.316 3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.810 1.401 2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.875 1.695 5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.402 1.405 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.840 0.307 4.868 1.00 0.00 H new ATOM 1034 N VAL A 67 7.867 -1.584 2.568 1.00 0.00 N ATOM 1035 CA VAL A 67 9.042 -2.482 2.459 1.00 0.00 C ATOM 1036 C VAL A 67 10.237 -1.896 3.209 1.00 0.00 C ATOM 1037 O VAL A 67 10.648 -0.780 2.969 1.00 0.00 O ATOM 1038 CB VAL A 67 9.342 -2.565 0.966 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.594 -3.418 0.749 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.151 -3.198 0.241 1.00 0.00 C ATOM 0 H VAL A 67 7.970 -0.674 2.119 1.00 0.00 H new ATOM 0 HA VAL A 67 8.846 -3.462 2.894 1.00 0.00 H new ATOM 0 HB VAL A 67 9.513 -1.564 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.812 -3.480 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.439 -2.963 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.424 -4.420 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.365 -3.258 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.977 -4.200 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.262 -2.587 0.400 1.00 0.00 H new ATOM 1050 N CYS A 68 10.809 -2.653 4.098 1.00 0.00 N ATOM 1051 CA CYS A 68 11.995 -2.161 4.845 1.00 0.00 C ATOM 1052 C CYS A 68 13.253 -2.540 4.067 1.00 0.00 C ATOM 1053 O CYS A 68 13.269 -3.522 3.355 1.00 0.00 O ATOM 1054 CB CYS A 68 11.946 -2.879 6.195 1.00 0.00 C ATOM 1055 SG CYS A 68 13.309 -2.302 7.236 1.00 0.00 S ATOM 0 H CYS A 68 10.505 -3.596 4.341 1.00 0.00 H new ATOM 0 HA CYS A 68 12.002 -1.079 4.979 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.992 -2.687 6.687 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.017 -3.957 6.048 1.00 0.00 H new ATOM 0 HG CYS A 68 14.039 -3.316 7.596 1.00 0.00 H new ATOM 1061 N SER A 69 14.298 -1.766 4.174 1.00 0.00 N ATOM 1062 CA SER A 69 15.535 -2.092 3.409 1.00 0.00 C ATOM 1063 C SER A 69 16.760 -2.139 4.322 1.00 0.00 C ATOM 1064 O SER A 69 16.987 -1.255 5.126 1.00 0.00 O ATOM 1065 CB SER A 69 15.676 -0.963 2.391 1.00 0.00 C ATOM 1066 OG SER A 69 15.314 0.269 3.001 1.00 0.00 O ATOM 0 H SER A 69 14.349 -0.928 4.753 1.00 0.00 H new ATOM 0 HA SER A 69 15.467 -3.073 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.702 -0.913 2.026 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.039 -1.155 1.527 1.00 0.00 H new ATOM 0 HG SER A 69 16.124 0.768 3.235 1.00 0.00 H new ATOM 1072 N THR A 70 17.559 -3.160 4.182 1.00 0.00 N ATOM 1073 CA THR A 70 18.791 -3.275 5.012 1.00 0.00 C ATOM 1074 C THR A 70 19.997 -2.810 4.177 1.00 0.00 C ATOM 1075 O THR A 70 19.936 -2.822 2.963 1.00 0.00 O ATOM 1076 CB THR A 70 18.886 -4.764 5.373 1.00 0.00 C ATOM 1077 OG1 THR A 70 19.940 -4.967 6.300 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.148 -5.593 4.117 1.00 0.00 C ATOM 0 H THR A 70 17.410 -3.925 3.524 1.00 0.00 H new ATOM 0 HA THR A 70 18.771 -2.660 5.912 1.00 0.00 H new ATOM 0 HB THR A 70 17.943 -5.078 5.820 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.996 -5.918 6.529 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.214 -6.648 4.384 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.332 -5.448 3.409 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.085 -5.275 3.660 1.00 0.00 H new ATOM 1086 N PRO A 71 21.051 -2.388 4.839 1.00 0.00 N ATOM 1087 CA PRO A 71 22.251 -1.889 4.118 1.00 0.00 C ATOM 1088 C PRO A 71 22.929 -2.967 3.263 1.00 0.00 C ATOM 1089 O PRO A 71 23.927 -2.704 2.621 1.00 0.00 O ATOM 1090 CB PRO A 71 23.163 -1.429 5.258 1.00 0.00 C ATOM 1091 CG PRO A 71 22.447 -1.681 6.599 1.00 0.00 C ATOM 1092 CD PRO A 71 21.105 -2.371 6.321 1.00 0.00 C ATOM 0 HA PRO A 71 22.006 -1.104 3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.108 -1.971 5.227 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.399 -0.370 5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.065 -2.304 7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.286 -0.739 7.124 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.072 -3.377 6.739 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.269 -1.819 6.751 1.00 0.00 H new ATOM 1100 N GLN A 72 22.404 -4.158 3.217 1.00 0.00 N ATOM 1101 CA GLN A 72 23.038 -5.204 2.367 1.00 0.00 C ATOM 1102 C GLN A 72 22.352 -5.216 0.992 1.00 0.00 C ATOM 1103 O GLN A 72 22.340 -6.211 0.299 1.00 0.00 O ATOM 1104 CB GLN A 72 22.806 -6.516 3.129 1.00 0.00 C ATOM 1105 CG GLN A 72 23.352 -7.707 2.331 1.00 0.00 C ATOM 1106 CD GLN A 72 24.819 -7.460 1.962 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.200 -7.598 0.817 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.661 -7.100 2.891 1.00 0.00 N ATOM 0 H GLN A 72 21.570 -4.452 3.726 1.00 0.00 H new ATOM 0 HA GLN A 72 24.100 -5.038 2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.294 -6.469 4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.740 -6.652 3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.265 -8.620 2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.760 -7.852 1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.341 -6.984 3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.640 -6.934 2.656 1.00 0.00 H new ATOM 1117 N SER A 73 21.774 -4.103 0.598 1.00 0.00 N ATOM 1118 CA SER A 73 21.075 -4.037 -0.722 1.00 0.00 C ATOM 1119 C SER A 73 19.915 -5.031 -0.720 1.00 0.00 C ATOM 1120 O SER A 73 19.753 -5.817 -1.633 1.00 0.00 O ATOM 1121 CB SER A 73 22.124 -4.425 -1.766 1.00 0.00 C ATOM 1122 OG SER A 73 22.056 -3.520 -2.859 1.00 0.00 O ATOM 0 H SER A 73 21.758 -3.237 1.137 1.00 0.00 H new ATOM 0 HA SER A 73 20.665 -3.049 -0.932 1.00 0.00 H new ATOM 0 HB2 SER A 73 23.120 -4.404 -1.323 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.950 -5.444 -2.111 1.00 0.00 H new ATOM 0 HG SER A 73 22.728 -3.765 -3.529 1.00 0.00 H new ATOM 1128 N GLN A 74 19.124 -5.019 0.321 1.00 0.00 N ATOM 1129 CA GLN A 74 17.990 -5.983 0.412 1.00 0.00 C ATOM 1130 C GLN A 74 16.722 -5.278 0.909 1.00 0.00 C ATOM 1131 O GLN A 74 16.761 -4.141 1.336 1.00 0.00 O ATOM 1132 CB GLN A 74 18.450 -7.041 1.421 1.00 0.00 C ATOM 1133 CG GLN A 74 19.980 -7.068 1.490 1.00 0.00 C ATOM 1134 CD GLN A 74 20.443 -8.378 2.130 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.533 -8.482 3.337 1.00 0.00 O ATOM 1136 NE2 GLN A 74 20.743 -9.394 1.365 1.00 0.00 N ATOM 0 H GLN A 74 19.215 -4.382 1.112 1.00 0.00 H new ATOM 0 HA GLN A 74 17.744 -6.420 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 74 18.037 -6.821 2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 74 18.073 -8.021 1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.401 -6.972 0.489 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.343 -6.220 2.071 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.668 -9.309 0.351 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.052 -10.272 1.782 1.00 0.00 H new ATOM 1145 N TYR A 75 15.593 -5.941 0.838 1.00 0.00 N ATOM 1146 CA TYR A 75 14.311 -5.298 1.287 1.00 0.00 C ATOM 1147 C TYR A 75 13.358 -6.329 1.904 1.00 0.00 C ATOM 1148 O TYR A 75 13.481 -7.506 1.672 1.00 0.00 O ATOM 1149 CB TYR A 75 13.681 -4.720 0.018 1.00 0.00 C ATOM 1150 CG TYR A 75 14.686 -3.873 -0.718 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.640 -4.480 -1.539 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.669 -2.484 -0.574 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.579 -3.701 -2.215 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.606 -1.701 -1.252 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.563 -2.308 -2.075 1.00 0.00 C ATOM 1156 OH TYR A 75 17.491 -1.535 -2.742 1.00 0.00 O ATOM 0 H TYR A 75 15.500 -6.896 0.491 1.00 0.00 H new ATOM 0 HA TYR A 75 14.500 -4.541 2.048 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.334 -5.528 -0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.808 -4.121 0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.650 -5.554 -1.650 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.932 -2.016 0.061 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.318 -4.172 -2.846 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.593 -0.627 -1.142 1.00 0.00 H new ATOM 0 HH TYR A 75 17.338 -0.589 -2.535 1.00 0.00 H new ATOM 1166 N TYR A 76 12.390 -5.879 2.671 1.00 0.00 N ATOM 1167 CA TYR A 76 11.402 -6.819 3.302 1.00 0.00 C ATOM 1168 C TYR A 76 10.399 -6.049 4.168 1.00 0.00 C ATOM 1169 O TYR A 76 10.657 -4.950 4.603 1.00 0.00 O ATOM 1170 CB TYR A 76 12.225 -7.755 4.208 1.00 0.00 C ATOM 1171 CG TYR A 76 12.957 -6.949 5.261 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.285 -6.552 6.422 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.305 -6.615 5.088 1.00 0.00 C ATOM 1174 CE1 TYR A 76 12.954 -5.822 7.407 1.00 0.00 C ATOM 1175 CE2 TYR A 76 14.976 -5.884 6.075 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.302 -5.488 7.236 1.00 0.00 C ATOM 1177 OH TYR A 76 14.970 -4.766 8.207 1.00 0.00 O ATOM 0 H TYR A 76 12.240 -4.894 2.889 1.00 0.00 H new ATOM 0 HA TYR A 76 10.843 -7.361 2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.568 -8.481 4.686 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.940 -8.319 3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.245 -6.811 6.557 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.827 -6.921 4.194 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.431 -5.515 8.301 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.016 -5.625 5.941 1.00 0.00 H new ATOM 0 HH TYR A 76 15.898 -4.622 7.927 1.00 0.00 H new ATOM 1187 N LEU A 77 9.288 -6.658 4.480 1.00 0.00 N ATOM 1188 CA LEU A 77 8.297 -6.001 5.383 1.00 0.00 C ATOM 1189 C LEU A 77 8.529 -6.592 6.777 1.00 0.00 C ATOM 1190 O LEU A 77 8.084 -6.083 7.786 1.00 0.00 O ATOM 1191 CB LEU A 77 6.919 -6.391 4.840 1.00 0.00 C ATOM 1192 CG LEU A 77 5.895 -5.310 5.208 1.00 0.00 C ATOM 1193 CD1 LEU A 77 4.952 -5.070 4.027 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.078 -5.767 6.419 1.00 0.00 C ATOM 0 H LEU A 77 9.022 -7.585 4.148 1.00 0.00 H new ATOM 0 HA LEU A 77 8.382 -4.915 5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.964 -6.510 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.613 -7.352 5.254 1.00 0.00 H new ATOM 0 HG LEU A 77 6.421 -4.386 5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.226 -4.302 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.528 -4.742 3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.429 -5.995 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.351 -4.997 6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.556 -6.693 6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.745 -5.937 7.265 1.00 0.00 H new ATOM 1206 N ALA A 78 9.291 -7.655 6.802 1.00 0.00 N ATOM 1207 CA ALA A 78 9.679 -8.332 8.060 1.00 0.00 C ATOM 1208 C ALA A 78 11.063 -8.934 7.808 1.00 0.00 C ATOM 1209 O ALA A 78 11.253 -9.680 6.868 1.00 0.00 O ATOM 1210 CB ALA A 78 8.632 -9.425 8.283 1.00 0.00 C ATOM 0 H ALA A 78 9.671 -8.093 5.963 1.00 0.00 H new ATOM 0 HA ALA A 78 9.721 -7.679 8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.861 -9.966 9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.644 -8.971 8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.644 -10.117 7.441 1.00 0.00 H new ATOM 1216 N GLU A 79 12.039 -8.593 8.607 1.00 0.00 N ATOM 1217 CA GLU A 79 13.421 -9.124 8.373 1.00 0.00 C ATOM 1218 C GLU A 79 13.406 -10.640 8.161 1.00 0.00 C ATOM 1219 O GLU A 79 14.346 -11.209 7.641 1.00 0.00 O ATOM 1220 CB GLU A 79 14.206 -8.766 9.634 1.00 0.00 C ATOM 1221 CG GLU A 79 14.841 -7.389 9.457 1.00 0.00 C ATOM 1222 CD GLU A 79 15.841 -7.136 10.585 1.00 0.00 C ATOM 1223 OE1 GLU A 79 15.423 -7.134 11.731 1.00 0.00 O ATOM 1224 OE2 GLU A 79 17.009 -6.949 10.284 1.00 0.00 O ATOM 0 H GLU A 79 11.943 -7.972 9.410 1.00 0.00 H new ATOM 0 HA GLU A 79 13.866 -8.696 7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.545 -8.766 10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.977 -9.514 9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.344 -7.331 8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.070 -6.619 9.462 1.00 0.00 H new ATOM 1231 N LYS A 80 12.345 -11.289 8.551 1.00 0.00 N ATOM 1232 CA LYS A 80 12.247 -12.772 8.367 1.00 0.00 C ATOM 1233 C LYS A 80 12.734 -13.172 6.968 1.00 0.00 C ATOM 1234 O LYS A 80 13.379 -14.187 6.788 1.00 0.00 O ATOM 1235 CB LYS A 80 10.760 -13.082 8.512 1.00 0.00 C ATOM 1236 CG LYS A 80 10.472 -13.564 9.936 1.00 0.00 C ATOM 1237 CD LYS A 80 8.979 -13.870 10.082 1.00 0.00 C ATOM 1238 CE LYS A 80 8.502 -13.440 11.470 1.00 0.00 C ATOM 1239 NZ LYS A 80 7.220 -14.169 11.678 1.00 0.00 N ATOM 0 H LYS A 80 11.534 -10.857 8.993 1.00 0.00 H new ATOM 0 HA LYS A 80 12.860 -13.317 9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.170 -12.192 8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.466 -13.846 7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.059 -14.456 10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.770 -12.802 10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.413 -13.345 9.313 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.800 -14.936 9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.232 -13.699 12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.356 -12.361 11.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.830 -13.926 12.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.542 -13.897 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.392 -15.194 11.631 1.00 0.00 H new ATOM 1253 N HIS A 81 12.433 -12.370 5.981 1.00 0.00 N ATOM 1254 CA HIS A 81 12.879 -12.682 4.592 1.00 0.00 C ATOM 1255 C HIS A 81 13.000 -11.379 3.809 1.00 0.00 C ATOM 1256 O HIS A 81 12.192 -10.483 3.963 1.00 0.00 O ATOM 1257 CB HIS A 81 11.786 -13.574 3.997 1.00 0.00 C ATOM 1258 CG HIS A 81 10.453 -12.878 4.088 1.00 0.00 C ATOM 1259 ND1 HIS A 81 9.860 -11.927 3.296 1.00 0.00 N flip ATOM 1260 CD2 HIS A 81 9.549 -13.143 5.104 1.00 0.00 C flip ATOM 1261 CE1 HIS A 81 8.607 -11.605 3.810 1.00 0.00 C flip ATOM 1262 NE2 HIS A 81 8.470 -12.366 4.899 1.00 0.00 N flip ATOM 0 H HIS A 81 11.895 -11.509 6.078 1.00 0.00 H new ATOM 0 HA HIS A 81 13.848 -13.181 4.562 1.00 0.00 H new ATOM 0 HB2 HIS A 81 12.017 -13.803 2.957 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.748 -14.523 4.531 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.686 -13.845 5.913 1.00 0.00 H new ATOM 0 HE1 HIS A 81 7.898 -10.893 3.414 1.00 0.00 H new ATOM 0 HE2 HIS A 81 7.647 -12.359 5.502 1.00 0.00 H new ATOM 1270 N LEU A 82 14.003 -11.246 2.985 1.00 0.00 N ATOM 1271 CA LEU A 82 14.153 -9.978 2.232 1.00 0.00 C ATOM 1272 C LEU A 82 14.794 -10.219 0.862 1.00 0.00 C ATOM 1273 O LEU A 82 15.708 -11.007 0.719 1.00 0.00 O ATOM 1274 CB LEU A 82 15.044 -9.105 3.128 1.00 0.00 C ATOM 1275 CG LEU A 82 16.444 -9.701 3.238 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.392 -8.650 3.819 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.426 -10.924 4.164 1.00 0.00 C ATOM 0 H LEU A 82 14.715 -11.954 2.805 1.00 0.00 H new ATOM 0 HA LEU A 82 13.195 -9.503 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.103 -8.097 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.600 -9.021 4.120 1.00 0.00 H new ATOM 0 HG LEU A 82 16.781 -10.006 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.395 -9.070 3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.415 -7.779 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.042 -8.351 4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.430 -11.341 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 82 16.086 -10.625 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.748 -11.676 3.760 1.00 0.00 H new ATOM 1289 N PHE A 83 14.315 -9.539 -0.148 1.00 0.00 N ATOM 1290 CA PHE A 83 14.893 -9.718 -1.512 1.00 0.00 C ATOM 1291 C PHE A 83 15.700 -8.474 -1.905 1.00 0.00 C ATOM 1292 O PHE A 83 16.203 -7.771 -1.052 1.00 0.00 O ATOM 1293 CB PHE A 83 13.685 -9.927 -2.425 1.00 0.00 C ATOM 1294 CG PHE A 83 13.353 -11.400 -2.453 1.00 0.00 C ATOM 1295 CD1 PHE A 83 14.231 -12.302 -3.065 1.00 0.00 C ATOM 1296 CD2 PHE A 83 12.173 -11.866 -1.861 1.00 0.00 C ATOM 1297 CE1 PHE A 83 13.930 -13.668 -3.088 1.00 0.00 C ATOM 1298 CE2 PHE A 83 11.870 -13.233 -1.884 1.00 0.00 C ATOM 1299 CZ PHE A 83 12.748 -14.134 -2.498 1.00 0.00 C ATOM 0 H PHE A 83 13.549 -8.868 -0.086 1.00 0.00 H new ATOM 0 HA PHE A 83 15.583 -10.559 -1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.832 -9.354 -2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.904 -9.569 -3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 83 15.142 -11.943 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.496 -11.171 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 83 14.609 -14.363 -3.560 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.959 -13.592 -1.428 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.514 -15.188 -2.517 1.00 0.00 H new ATOM 1309 N SER A 84 15.857 -8.205 -3.177 1.00 0.00 N ATOM 1310 CA SER A 84 16.666 -7.014 -3.584 1.00 0.00 C ATOM 1311 C SER A 84 15.783 -5.875 -4.119 1.00 0.00 C ATOM 1312 O SER A 84 16.285 -4.871 -4.583 1.00 0.00 O ATOM 1313 CB SER A 84 17.592 -7.529 -4.684 1.00 0.00 C ATOM 1314 OG SER A 84 18.423 -6.466 -5.133 1.00 0.00 O ATOM 0 H SER A 84 15.465 -8.751 -3.944 1.00 0.00 H new ATOM 0 HA SER A 84 17.208 -6.596 -2.736 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.203 -8.349 -4.307 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.006 -7.923 -5.514 1.00 0.00 H new ATOM 0 HG SER A 84 17.943 -5.616 -5.045 1.00 0.00 H new ATOM 1320 N THR A 85 14.481 -6.006 -4.055 1.00 0.00 N ATOM 1321 CA THR A 85 13.593 -4.904 -4.554 1.00 0.00 C ATOM 1322 C THR A 85 12.154 -5.127 -4.074 1.00 0.00 C ATOM 1323 O THR A 85 11.777 -6.225 -3.714 1.00 0.00 O ATOM 1324 CB THR A 85 13.649 -4.964 -6.087 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.963 -5.287 -6.517 1.00 0.00 O ATOM 1326 CG2 THR A 85 13.244 -3.606 -6.662 1.00 0.00 C ATOM 0 H THR A 85 13.995 -6.821 -3.682 1.00 0.00 H new ATOM 0 HA THR A 85 13.921 -3.934 -4.181 1.00 0.00 H new ATOM 0 HB THR A 85 12.962 -5.734 -6.439 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.607 -4.694 -6.076 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.283 -3.646 -7.751 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.230 -3.364 -6.344 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.930 -2.839 -6.302 1.00 0.00 H new ATOM 1334 N ILE A 86 11.344 -4.096 -4.067 1.00 0.00 N ATOM 1335 CA ILE A 86 9.933 -4.260 -3.606 1.00 0.00 C ATOM 1336 C ILE A 86 9.122 -5.158 -4.566 1.00 0.00 C ATOM 1337 O ILE A 86 8.523 -6.119 -4.125 1.00 0.00 O ATOM 1338 CB ILE A 86 9.367 -2.835 -3.560 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.782 -2.174 -2.244 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.836 -2.869 -3.651 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.969 -1.241 -2.491 1.00 0.00 C ATOM 0 H ILE A 86 11.599 -3.153 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 86 9.878 -4.753 -2.635 1.00 0.00 H new ATOM 0 HB ILE A 86 9.759 -2.267 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.946 -1.613 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 86 10.051 -2.935 -1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.447 -1.851 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.538 -3.341 -4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.434 -3.439 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.264 -0.771 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.806 -1.815 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.684 -0.472 -3.209 1.00 0.00 H new ATOM 1353 N PRO A 87 9.101 -4.826 -5.842 1.00 0.00 N ATOM 1354 CA PRO A 87 8.324 -5.633 -6.817 1.00 0.00 C ATOM 1355 C PRO A 87 8.700 -7.116 -6.745 1.00 0.00 C ATOM 1356 O PRO A 87 7.852 -7.964 -6.545 1.00 0.00 O ATOM 1357 CB PRO A 87 8.720 -5.016 -8.161 1.00 0.00 C ATOM 1358 CG PRO A 87 9.706 -3.863 -7.902 1.00 0.00 C ATOM 1359 CD PRO A 87 9.838 -3.660 -6.388 1.00 0.00 C ATOM 0 HA PRO A 87 7.250 -5.610 -6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 87 9.179 -5.769 -8.802 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.837 -4.648 -8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.678 -4.092 -8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.351 -2.948 -8.376 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.880 -3.653 -6.069 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.400 -2.716 -6.065 1.00 0.00 H new ATOM 1367 N GLU A 88 9.954 -7.443 -6.909 1.00 0.00 N ATOM 1368 CA GLU A 88 10.354 -8.877 -6.852 1.00 0.00 C ATOM 1369 C GLU A 88 10.014 -9.474 -5.480 1.00 0.00 C ATOM 1370 O GLU A 88 9.503 -10.572 -5.385 1.00 0.00 O ATOM 1371 CB GLU A 88 11.869 -8.888 -7.110 1.00 0.00 C ATOM 1372 CG GLU A 88 12.622 -8.312 -5.909 1.00 0.00 C ATOM 1373 CD GLU A 88 14.106 -8.187 -6.256 1.00 0.00 C ATOM 1374 OE1 GLU A 88 14.409 -7.566 -7.261 1.00 0.00 O ATOM 1375 OE2 GLU A 88 14.914 -8.718 -5.512 1.00 0.00 O ATOM 0 H GLU A 88 10.713 -6.784 -7.079 1.00 0.00 H new ATOM 0 HA GLU A 88 9.824 -9.482 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.204 -9.908 -7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.096 -8.305 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.215 -7.336 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.493 -8.958 -5.040 1.00 0.00 H new ATOM 1382 N LEU A 89 10.285 -8.758 -4.420 1.00 0.00 N ATOM 1383 CA LEU A 89 9.976 -9.287 -3.056 1.00 0.00 C ATOM 1384 C LEU A 89 8.484 -9.615 -2.934 1.00 0.00 C ATOM 1385 O LEU A 89 8.107 -10.743 -2.687 1.00 0.00 O ATOM 1386 CB LEU A 89 10.361 -8.152 -2.102 1.00 0.00 C ATOM 1387 CG LEU A 89 10.314 -8.645 -0.656 1.00 0.00 C ATOM 1388 CD1 LEU A 89 11.268 -7.806 0.198 1.00 0.00 C ATOM 1389 CD2 LEU A 89 8.892 -8.502 -0.112 1.00 0.00 C ATOM 0 H LEU A 89 10.707 -7.830 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 89 10.515 -10.208 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.362 -7.790 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.679 -7.311 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 89 10.614 -9.692 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.236 -8.156 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.283 -7.904 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.965 -6.760 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.860 -8.854 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.592 -7.455 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.209 -9.096 -0.719 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.845 -3.705 -7.028 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.343 -2.595 -7.895 1.00 0.00 C ATOM 1664 C TYR A 106 -7.373 -1.397 -7.898 1.00 0.00 C ATOM 1665 O TYR A 106 -7.022 -0.891 -6.850 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.685 -2.172 -7.290 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.210 -0.997 -8.078 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -10.542 -1.151 -9.428 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -10.325 0.255 -7.469 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.995 -0.053 -10.167 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -10.774 1.356 -8.208 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.110 1.202 -9.557 1.00 0.00 C ATOM 1673 OH TYR A 106 -11.552 2.286 -10.287 1.00 0.00 O ATOM 0 HA TYR A 106 -8.435 -2.925 -8.930 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.394 -2.999 -7.323 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.560 -1.901 -6.242 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.449 -2.118 -9.900 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.067 0.374 -6.427 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.256 -0.173 -11.208 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.861 2.324 -7.737 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.575 3.080 -9.713 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.990 -0.960 -9.082 1.00 0.00 N ATOM 1684 CA PRO A 107 -6.084 0.209 -9.209 1.00 0.00 C ATOM 1685 C PRO A 107 -6.765 1.493 -8.713 1.00 0.00 C ATOM 1686 O PRO A 107 -7.796 1.900 -9.212 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.828 0.275 -10.719 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.603 -0.863 -11.406 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.420 -1.610 -10.346 1.00 0.00 C ATOM 0 HA PRO A 107 -5.174 0.115 -8.617 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.147 1.240 -11.114 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.762 0.183 -10.925 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -7.261 -0.461 -12.176 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.912 -1.546 -11.901 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.492 -1.503 -10.512 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.203 -2.678 -10.346 1.00 0.00 H new