USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 847 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 51 SER OG : rot 18:sc= 0.127 USER MOD Set 1.2: A 126 HIS : no HD1:sc= 0.791 K(o=0.92,f=-3!) USER MOD Set 2.1: A 77 TYR OH : rot 7:sc= 1.17 USER MOD Set 2.2: A 120 ASN : amide:sc= 0.98 K(o=2.1,f=1.1) USER MOD Set 3.1: A 59 LYS NZ :NH3+ -152:sc= 0.516 (180deg=0) USER MOD Set 3.2: A 71 GLN : amide:sc= 1.03 K(o=1.5,f=-0.47) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 169:sc= -1.19 USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 2.34 (180deg=2.3) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= 1.15 (180deg=0.955) USER MOD Single : A 40 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.43) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 39:sc= 0.813 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.19) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.859 K(o=0.86,f=-0.32) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 103 SER OG : rot 80:sc= 0.656 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -82:sc= 1.2 USER MOD Single : A 124 GLN : amide:sc= 0.658 K(o=0.66,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.219 9.347 6.407 1.00 0.00 N ATOM 187 CA SER A 9 -12.404 8.514 6.367 1.00 0.00 C ATOM 188 C SER A 9 -11.999 7.075 6.058 1.00 0.00 C ATOM 189 O SER A 9 -11.574 6.742 4.952 1.00 0.00 O ATOM 190 CB SER A 9 -13.378 9.074 5.325 1.00 0.00 C ATOM 191 OG SER A 9 -14.707 8.712 5.664 1.00 0.00 O ATOM 0 HA SER A 9 -12.909 8.517 7.333 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.288 10.159 5.277 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.128 8.689 4.336 1.00 0.00 H new ATOM 0 HG SER A 9 -15.325 9.074 4.995 1.00 0.00 H new ATOM 197 N VAL A 10 -12.033 6.251 7.096 1.00 0.00 N ATOM 198 CA VAL A 10 -11.571 4.845 7.090 1.00 0.00 C ATOM 199 C VAL A 10 -12.303 4.000 6.033 1.00 0.00 C ATOM 200 O VAL A 10 -13.517 4.121 5.854 1.00 0.00 O ATOM 201 CB VAL A 10 -11.692 4.218 8.496 1.00 0.00 C ATOM 202 CG1 VAL A 10 -11.172 2.776 8.536 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.882 5.010 9.534 1.00 0.00 C ATOM 0 H VAL A 10 -12.394 6.541 8.005 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.517 4.851 6.813 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.756 4.239 8.731 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.278 2.379 9.545 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.747 2.163 7.842 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.121 2.760 8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.989 4.542 10.513 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.830 5.016 9.247 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.252 6.034 9.579 1.00 0.00 H new ATOM 213 N LEU A 11 -11.554 3.124 5.349 1.00 0.00 N ATOM 214 CA LEU A 11 -12.024 2.270 4.244 1.00 0.00 C ATOM 215 C LEU A 11 -11.728 0.783 4.495 1.00 0.00 C ATOM 216 O LEU A 11 -12.571 -0.068 4.211 1.00 0.00 O ATOM 217 CB LEU A 11 -11.361 2.717 2.923 1.00 0.00 C ATOM 218 CG LEU A 11 -11.751 4.115 2.409 1.00 0.00 C ATOM 219 CD1 LEU A 11 -10.963 4.428 1.138 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.241 4.227 2.076 1.00 0.00 C ATOM 0 H LEU A 11 -10.565 2.984 5.557 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.106 2.383 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.279 2.689 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.606 1.987 2.152 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.523 4.819 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.239 5.418 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.895 4.406 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.192 3.684 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.459 5.233 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.496 3.504 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.830 4.024 2.970 1.00 0.00 H new ATOM 232 N CYS A 12 -10.547 0.472 5.039 1.00 0.00 N ATOM 233 CA CYS A 12 -10.133 -0.884 5.402 1.00 0.00 C ATOM 234 C CYS A 12 -9.087 -0.849 6.518 1.00 0.00 C ATOM 235 O CYS A 12 -8.138 -0.070 6.462 1.00 0.00 O ATOM 236 CB CYS A 12 -9.556 -1.578 4.164 1.00 0.00 C ATOM 237 SG CYS A 12 -9.287 -3.342 4.481 1.00 0.00 S ATOM 0 H CYS A 12 -9.836 1.175 5.243 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.999 -1.437 5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.237 -1.455 3.322 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.614 -1.107 3.883 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.025 -3.949 3.362 1.00 0.00 H new ATOM 243 N VAL A 13 -9.239 -1.722 7.511 1.00 0.00 N ATOM 244 CA VAL A 13 -8.255 -1.944 8.580 1.00 0.00 C ATOM 245 C VAL A 13 -7.996 -3.445 8.723 1.00 0.00 C ATOM 246 O VAL A 13 -8.940 -4.219 8.900 1.00 0.00 O ATOM 247 CB VAL A 13 -8.723 -1.317 9.910 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.679 -1.487 11.021 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.992 0.186 9.753 1.00 0.00 C ATOM 0 H VAL A 13 -10.067 -2.311 7.601 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.320 -1.451 8.315 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.639 -1.841 10.182 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.048 -1.032 11.940 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.497 -2.548 11.190 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.749 -1.002 10.724 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.320 0.599 10.707 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.078 0.688 9.436 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.769 0.340 9.005 1.00 0.00 H new ATOM 259 N LYS A 14 -6.723 -3.856 8.648 1.00 0.00 N ATOM 260 CA LYS A 14 -6.279 -5.253 8.828 1.00 0.00 C ATOM 261 C LYS A 14 -5.092 -5.360 9.799 1.00 0.00 C ATOM 262 O LYS A 14 -4.211 -4.499 9.768 1.00 0.00 O ATOM 263 CB LYS A 14 -5.961 -5.937 7.482 1.00 0.00 C ATOM 264 CG LYS A 14 -7.188 -6.014 6.563 1.00 0.00 C ATOM 265 CD LYS A 14 -6.879 -6.804 5.283 1.00 0.00 C ATOM 266 CE LYS A 14 -8.075 -6.810 4.328 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.205 -7.614 4.852 1.00 0.00 N ATOM 0 H LYS A 14 -5.953 -3.215 8.456 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.116 -5.788 9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.166 -5.388 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.586 -6.943 7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.014 -6.487 7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.513 -5.007 6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.015 -6.366 4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.613 -7.829 5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.408 -5.786 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.765 -7.209 3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.999 -7.576 4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.902 -8.601 4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.509 -7.229 5.769 1.00 0.00 H new ATOM 281 N PRO A 15 -5.027 -6.411 10.637 1.00 0.00 N ATOM 282 CA PRO A 15 -4.000 -6.558 11.675 1.00 0.00 C ATOM 283 C PRO A 15 -2.603 -6.934 11.159 1.00 0.00 C ATOM 284 O PRO A 15 -1.632 -6.783 11.900 1.00 0.00 O ATOM 285 CB PRO A 15 -4.518 -7.677 12.582 1.00 0.00 C ATOM 286 CG PRO A 15 -5.366 -8.530 11.639 1.00 0.00 C ATOM 287 CD PRO A 15 -6.005 -7.486 10.739 1.00 0.00 C ATOM 0 HA PRO A 15 -3.859 -5.597 12.170 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.701 -8.251 13.019 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.109 -7.283 13.409 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.758 -9.237 11.074 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.113 -9.112 12.179 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.236 -7.901 9.758 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.943 -7.125 11.161 1.00 0.00 H new ATOM 295 N ASP A 16 -2.497 -7.467 9.937 1.00 0.00 N ATOM 296 CA ASP A 16 -1.280 -8.107 9.430 1.00 0.00 C ATOM 297 C ASP A 16 -0.945 -7.668 7.996 1.00 0.00 C ATOM 298 O ASP A 16 -1.651 -7.996 7.039 1.00 0.00 O ATOM 299 CB ASP A 16 -1.447 -9.630 9.520 1.00 0.00 C ATOM 300 CG ASP A 16 -0.173 -10.371 9.082 1.00 0.00 C ATOM 301 OD1 ASP A 16 0.882 -10.189 9.735 1.00 0.00 O ATOM 302 OD2 ASP A 16 -0.229 -11.148 8.100 1.00 0.00 O ATOM 0 H ASP A 16 -3.264 -7.466 9.265 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.438 -7.792 10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.696 -9.908 10.544 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.282 -9.942 8.893 1.00 0.00 H new ATOM 307 N VAL A 17 0.160 -6.936 7.865 1.00 0.00 N ATOM 308 CA VAL A 17 0.798 -6.546 6.600 1.00 0.00 C ATOM 309 C VAL A 17 2.314 -6.408 6.800 1.00 0.00 C ATOM 310 O VAL A 17 2.779 -5.960 7.854 1.00 0.00 O ATOM 311 CB VAL A 17 0.144 -5.271 6.021 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.387 -4.003 6.848 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.593 -4.994 4.583 1.00 0.00 C ATOM 0 H VAL A 17 0.663 -6.579 8.677 1.00 0.00 H new ATOM 0 HA VAL A 17 0.641 -7.328 5.857 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.923 -5.494 6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.107 -3.157 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.017 -4.140 7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.458 -3.810 6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.108 -4.089 4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.675 -4.861 4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.317 -5.835 3.947 1.00 0.00 H new ATOM 323 N SER A 18 3.092 -6.802 5.791 1.00 0.00 N ATOM 324 CA SER A 18 4.562 -6.857 5.848 1.00 0.00 C ATOM 325 C SER A 18 5.190 -5.965 4.778 1.00 0.00 C ATOM 326 O SER A 18 4.825 -6.082 3.611 1.00 0.00 O ATOM 327 CB SER A 18 5.043 -8.299 5.656 1.00 0.00 C ATOM 328 OG SER A 18 4.513 -9.150 6.661 1.00 0.00 O ATOM 0 H SER A 18 2.715 -7.099 4.891 1.00 0.00 H new ATOM 0 HA SER A 18 4.872 -6.494 6.828 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.740 -8.659 4.673 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.132 -8.330 5.686 1.00 0.00 H new ATOM 0 HG SER A 18 4.832 -10.065 6.517 1.00 0.00 H new ATOM 334 N VAL A 19 6.132 -5.096 5.158 1.00 0.00 N ATOM 335 CA VAL A 19 6.863 -4.183 4.259 1.00 0.00 C ATOM 336 C VAL A 19 8.164 -4.787 3.776 1.00 0.00 C ATOM 337 O VAL A 19 8.933 -5.362 4.546 1.00 0.00 O ATOM 338 CB VAL A 19 7.114 -2.801 4.896 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.095 -1.900 4.118 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.794 -2.038 4.992 1.00 0.00 C ATOM 0 H VAL A 19 6.420 -5.002 6.132 1.00 0.00 H new ATOM 0 HA VAL A 19 6.216 -4.033 3.395 1.00 0.00 H new ATOM 0 HB VAL A 19 7.559 -3.014 5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.209 -0.950 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.064 -2.394 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.706 -1.718 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.970 -1.061 5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.376 -1.908 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.093 -2.600 5.609 1.00 0.00 H new ATOM 350 N TYR A 20 8.450 -4.540 2.503 1.00 0.00 N ATOM 351 CA TYR A 20 9.733 -4.805 1.879 1.00 0.00 C ATOM 352 C TYR A 20 10.304 -3.506 1.306 1.00 0.00 C ATOM 353 O TYR A 20 9.650 -2.777 0.558 1.00 0.00 O ATOM 354 CB TYR A 20 9.588 -5.906 0.825 1.00 0.00 C ATOM 355 CG TYR A 20 8.743 -7.079 1.284 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.397 -7.174 0.886 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.279 -8.020 2.180 1.00 0.00 C ATOM 358 CE1 TYR A 20 6.579 -8.200 1.394 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.462 -9.039 2.701 1.00 0.00 C ATOM 360 CZ TYR A 20 7.109 -9.130 2.317 1.00 0.00 C ATOM 361 OH TYR A 20 6.331 -10.114 2.845 1.00 0.00 O ATOM 0 H TYR A 20 7.770 -4.136 1.859 1.00 0.00 H new ATOM 0 HA TYR A 20 10.443 -5.171 2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.145 -5.480 -0.075 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.579 -6.268 0.551 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.990 -6.457 0.188 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.318 -7.960 2.468 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.549 -8.277 1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.873 -9.754 3.398 1.00 0.00 H new ATOM 0 HH TYR A 20 6.865 -10.659 3.460 1.00 0.00 H new ATOM 371 N ARG A 21 11.557 -3.225 1.656 1.00 0.00 N ATOM 372 CA ARG A 21 12.370 -2.131 1.108 1.00 0.00 C ATOM 373 C ARG A 21 12.924 -2.532 -0.272 1.00 0.00 C ATOM 374 O ARG A 21 14.081 -2.930 -0.410 1.00 0.00 O ATOM 375 CB ARG A 21 13.439 -1.767 2.154 1.00 0.00 C ATOM 376 CG ARG A 21 13.950 -0.328 2.022 1.00 0.00 C ATOM 377 CD ARG A 21 12.974 0.734 2.556 1.00 0.00 C ATOM 378 NE ARG A 21 12.744 0.577 4.006 1.00 0.00 N ATOM 379 CZ ARG A 21 12.123 1.396 4.829 1.00 0.00 C ATOM 380 NH1 ARG A 21 12.039 1.059 6.079 1.00 0.00 N ATOM 381 NH2 ARG A 21 11.593 2.524 4.445 1.00 0.00 N ATOM 0 H ARG A 21 12.058 -3.772 2.356 1.00 0.00 H new ATOM 0 HA ARG A 21 11.783 -1.231 0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.024 -1.908 3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.280 -2.454 2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.896 -0.239 2.556 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.156 -0.122 0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.372 1.729 2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.025 0.657 2.026 1.00 0.00 H new ATOM 0 HE ARG A 21 13.114 -0.276 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.448 0.181 6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.564 1.672 6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.649 2.807 3.467 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.122 3.123 5.123 1.00 0.00 H new ATOM 395 N ILE A 22 12.037 -2.532 -1.267 1.00 0.00 N ATOM 396 CA ILE A 22 12.222 -3.171 -2.582 1.00 0.00 C ATOM 397 C ILE A 22 13.428 -2.639 -3.388 1.00 0.00 C ATOM 398 O ILE A 22 13.787 -1.463 -3.255 1.00 0.00 O ATOM 399 CB ILE A 22 10.922 -3.087 -3.419 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.500 -1.631 -3.726 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.808 -3.872 -2.710 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.192 -1.532 -4.516 1.00 0.00 C ATOM 0 H ILE A 22 11.132 -2.070 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 22 12.453 -4.215 -2.369 1.00 0.00 H new ATOM 0 HB ILE A 22 11.114 -3.542 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.392 -1.086 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.294 -1.141 -4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.892 -3.814 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 22 10.107 -4.915 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.633 -3.445 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.955 -0.484 -4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.303 -2.049 -5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.386 -1.993 -3.945 1.00 0.00 H new ATOM 532 N TYR A 31 7.005 -5.217 -10.904 1.00 0.00 N ATOM 533 CA TYR A 31 7.602 -5.947 -9.794 1.00 0.00 C ATOM 534 C TYR A 31 7.077 -7.389 -9.808 1.00 0.00 C ATOM 535 O TYR A 31 5.995 -7.638 -10.324 1.00 0.00 O ATOM 536 CB TYR A 31 7.200 -5.249 -8.497 1.00 0.00 C ATOM 537 CG TYR A 31 7.522 -3.771 -8.440 1.00 0.00 C ATOM 538 CD1 TYR A 31 8.833 -3.347 -8.154 1.00 0.00 C ATOM 539 CD2 TYR A 31 6.515 -2.816 -8.686 1.00 0.00 C ATOM 540 CE1 TYR A 31 9.115 -1.979 -8.013 1.00 0.00 C ATOM 541 CE2 TYR A 31 6.797 -1.447 -8.534 1.00 0.00 C ATOM 542 CZ TYR A 31 8.096 -1.020 -8.188 1.00 0.00 C ATOM 543 OH TYR A 31 8.369 0.307 -8.073 1.00 0.00 O ATOM 0 HA TYR A 31 8.689 -5.967 -9.878 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.128 -5.378 -8.350 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.698 -5.746 -7.665 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.623 -4.075 -8.043 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.529 -3.135 -8.991 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.117 -1.659 -7.769 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.014 -0.718 -8.683 1.00 0.00 H new ATOM 0 HH TYR A 31 7.550 0.824 -8.226 1.00 0.00 H new ATOM 553 N ARG A 32 7.795 -8.348 -9.228 1.00 0.00 N ATOM 554 CA ARG A 32 7.465 -9.792 -9.340 1.00 0.00 C ATOM 555 C ARG A 32 7.430 -10.527 -8.011 1.00 0.00 C ATOM 556 O ARG A 32 7.475 -11.752 -7.993 1.00 0.00 O ATOM 557 CB ARG A 32 8.327 -10.503 -10.411 1.00 0.00 C ATOM 558 CG ARG A 32 9.830 -10.178 -10.367 1.00 0.00 C ATOM 559 CD ARG A 32 10.119 -8.949 -11.235 1.00 0.00 C ATOM 560 NE ARG A 32 11.483 -8.437 -11.049 1.00 0.00 N ATOM 561 CZ ARG A 32 12.006 -7.354 -11.586 1.00 0.00 C ATOM 562 NH1 ARG A 32 13.252 -7.089 -11.334 1.00 0.00 N ATOM 563 NH2 ARG A 32 11.334 -6.533 -12.346 1.00 0.00 N ATOM 0 H ARG A 32 8.624 -8.160 -8.664 1.00 0.00 H new ATOM 0 HA ARG A 32 6.434 -9.831 -9.692 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.201 -11.580 -10.298 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.944 -10.239 -11.396 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.141 -9.991 -9.339 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.407 -11.031 -10.724 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.971 -9.206 -12.284 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.403 -8.163 -10.995 1.00 0.00 H new ATOM 0 HE ARG A 32 12.092 -8.980 -10.437 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.795 -7.712 -10.736 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.688 -6.258 -11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.352 -6.716 -12.551 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.791 -5.708 -12.735 1.00 0.00 H new ATOM 577 N ALA A 33 7.325 -9.774 -6.917 1.00 0.00 N ATOM 578 CA ALA A 33 7.355 -10.213 -5.520 1.00 0.00 C ATOM 579 C ALA A 33 8.639 -10.958 -5.078 1.00 0.00 C ATOM 580 O ALA A 33 9.223 -10.615 -4.053 1.00 0.00 O ATOM 581 CB ALA A 33 6.063 -10.993 -5.279 1.00 0.00 C ATOM 0 H ALA A 33 7.208 -8.763 -6.988 1.00 0.00 H new ATOM 0 HA ALA A 33 7.402 -9.337 -4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.037 -11.344 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.207 -10.345 -5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.023 -11.848 -5.954 1.00 0.00 H new ATOM 587 N SER A 34 9.138 -11.917 -5.861 1.00 0.00 N ATOM 588 CA SER A 34 10.312 -12.750 -5.556 1.00 0.00 C ATOM 589 C SER A 34 11.642 -11.984 -5.582 1.00 0.00 C ATOM 590 O SER A 34 12.646 -12.475 -5.066 1.00 0.00 O ATOM 591 CB SER A 34 10.388 -13.930 -6.533 1.00 0.00 C ATOM 592 OG SER A 34 9.217 -14.729 -6.440 1.00 0.00 O ATOM 0 H SER A 34 8.721 -12.147 -6.763 1.00 0.00 H new ATOM 0 HA SER A 34 10.172 -13.101 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.503 -13.560 -7.552 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.267 -14.536 -6.313 1.00 0.00 H new ATOM 0 HG SER A 34 9.280 -15.477 -7.071 1.00 0.00 H new ATOM 598 N ASP A 35 11.660 -10.771 -6.147 1.00 0.00 N ATOM 599 CA ASP A 35 12.802 -9.848 -6.047 1.00 0.00 C ATOM 600 C ASP A 35 12.919 -9.177 -4.658 1.00 0.00 C ATOM 601 O ASP A 35 13.944 -8.561 -4.352 1.00 0.00 O ATOM 602 CB ASP A 35 12.718 -8.794 -7.173 1.00 0.00 C ATOM 603 CG ASP A 35 13.909 -8.877 -8.142 1.00 0.00 C ATOM 604 OD1 ASP A 35 13.671 -9.027 -9.364 1.00 0.00 O ATOM 605 OD2 ASP A 35 15.077 -8.762 -7.702 1.00 0.00 O ATOM 0 H ASP A 35 10.881 -10.398 -6.689 1.00 0.00 H new ATOM 0 HA ASP A 35 13.711 -10.437 -6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.790 -8.933 -7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.680 -7.798 -6.733 1.00 0.00 H new ATOM 610 N TRP A 36 11.882 -9.264 -3.814 1.00 0.00 N ATOM 611 CA TRP A 36 11.786 -8.598 -2.520 1.00 0.00 C ATOM 612 C TRP A 36 12.220 -9.527 -1.370 1.00 0.00 C ATOM 613 O TRP A 36 12.413 -10.735 -1.540 1.00 0.00 O ATOM 614 CB TRP A 36 10.344 -8.104 -2.315 1.00 0.00 C ATOM 615 CG TRP A 36 9.631 -7.373 -3.428 1.00 0.00 C ATOM 616 CD1 TRP A 36 10.153 -6.882 -4.582 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.220 -6.994 -3.455 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.164 -6.256 -5.318 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.978 -6.225 -4.630 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.126 -7.195 -2.587 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.748 -5.619 -4.898 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.874 -6.605 -2.850 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.690 -5.814 -3.997 1.00 0.00 C ATOM 0 H TRP A 36 11.057 -9.824 -4.028 1.00 0.00 H new ATOM 0 HA TRP A 36 12.466 -7.747 -2.511 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.738 -8.972 -2.057 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.347 -7.447 -1.445 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.187 -6.968 -4.880 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.299 -5.868 -6.251 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.250 -7.810 -1.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.614 -5.012 -5.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.052 -6.761 -2.167 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.731 -5.355 -4.186 1.00 0.00 H new ATOM 634 N LYS A 37 12.335 -8.964 -0.163 1.00 0.00 N ATOM 635 CA LYS A 37 12.767 -9.659 1.068 1.00 0.00 C ATOM 636 C LYS A 37 11.662 -10.494 1.733 1.00 0.00 C ATOM 637 O LYS A 37 11.392 -10.351 2.925 1.00 0.00 O ATOM 638 CB LYS A 37 13.393 -8.657 2.048 1.00 0.00 C ATOM 639 CG LYS A 37 14.710 -8.058 1.548 1.00 0.00 C ATOM 640 CD LYS A 37 15.493 -7.360 2.666 1.00 0.00 C ATOM 641 CE LYS A 37 14.657 -6.352 3.468 1.00 0.00 C ATOM 642 NZ LYS A 37 15.499 -5.602 4.439 1.00 0.00 N ATOM 0 H LYS A 37 12.124 -7.979 -0.004 1.00 0.00 H new ATOM 0 HA LYS A 37 13.523 -10.385 0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.683 -7.851 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.568 -9.154 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.325 -8.847 1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.502 -7.343 0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.888 -8.114 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.349 -6.844 2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.174 -5.652 2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.864 -6.877 4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.984 -4.760 4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.718 -6.212 5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.384 -5.309 3.978 1.00 0.00 H new ATOM 656 N LEU A 38 11.035 -11.393 0.980 1.00 0.00 N ATOM 657 CA LEU A 38 9.857 -12.169 1.409 1.00 0.00 C ATOM 658 C LEU A 38 10.081 -13.086 2.629 1.00 0.00 C ATOM 659 O LEU A 38 9.111 -13.543 3.235 1.00 0.00 O ATOM 660 CB LEU A 38 9.334 -13.001 0.227 1.00 0.00 C ATOM 661 CG LEU A 38 8.923 -12.193 -1.015 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.342 -13.167 -2.043 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.879 -11.119 -0.712 1.00 0.00 C ATOM 0 H LEU A 38 11.333 -11.614 0.030 1.00 0.00 H new ATOM 0 HA LEU A 38 9.125 -11.430 1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.105 -13.715 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.474 -13.580 0.564 1.00 0.00 H new ATOM 0 HG LEU A 38 9.810 -11.681 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.042 -12.618 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.096 -13.908 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.474 -13.670 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.631 -10.584 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.980 -11.588 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.280 -10.418 0.020 1.00 0.00 H new ATOM 675 N ASP A 39 11.337 -13.347 3.008 1.00 0.00 N ATOM 676 CA ASP A 39 11.702 -14.152 4.188 1.00 0.00 C ATOM 677 C ASP A 39 12.257 -13.295 5.349 1.00 0.00 C ATOM 678 O ASP A 39 12.502 -13.805 6.444 1.00 0.00 O ATOM 679 CB ASP A 39 12.660 -15.270 3.744 1.00 0.00 C ATOM 680 CG ASP A 39 12.848 -16.365 4.813 1.00 0.00 C ATOM 681 OD1 ASP A 39 14.010 -16.699 5.150 1.00 0.00 O ATOM 682 OD2 ASP A 39 11.835 -16.946 5.273 1.00 0.00 O ATOM 0 H ASP A 39 12.147 -12.999 2.495 1.00 0.00 H new ATOM 0 HA ASP A 39 10.803 -14.609 4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.279 -15.725 2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.630 -14.835 3.504 1.00 0.00 H new ATOM 687 N GLN A 40 12.426 -11.984 5.124 1.00 0.00 N ATOM 688 CA GLN A 40 12.866 -11.005 6.127 1.00 0.00 C ATOM 689 C GLN A 40 12.287 -9.598 5.844 1.00 0.00 C ATOM 690 O GLN A 40 13.011 -8.730 5.343 1.00 0.00 O ATOM 691 CB GLN A 40 14.410 -11.008 6.280 1.00 0.00 C ATOM 692 CG GLN A 40 15.285 -10.955 5.012 1.00 0.00 C ATOM 693 CD GLN A 40 15.361 -12.267 4.231 1.00 0.00 C ATOM 694 OE1 GLN A 40 15.567 -13.344 4.774 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.232 -12.233 2.920 1.00 0.00 N ATOM 0 H GLN A 40 12.255 -11.563 4.211 1.00 0.00 H new ATOM 0 HA GLN A 40 12.461 -11.308 7.093 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.681 -10.156 6.903 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.685 -11.907 6.832 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.898 -10.178 4.353 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.295 -10.659 5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.060 -11.346 2.447 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.304 -13.094 2.378 1.00 0.00 H new ATOM 704 N PRO A 41 10.996 -9.339 6.158 1.00 0.00 N ATOM 705 CA PRO A 41 10.389 -8.014 6.022 1.00 0.00 C ATOM 706 C PRO A 41 11.230 -6.915 6.678 1.00 0.00 C ATOM 707 O PRO A 41 11.798 -7.097 7.758 1.00 0.00 O ATOM 708 CB PRO A 41 9.006 -8.095 6.678 1.00 0.00 C ATOM 709 CG PRO A 41 8.657 -9.578 6.569 1.00 0.00 C ATOM 710 CD PRO A 41 10.015 -10.277 6.686 1.00 0.00 C ATOM 0 HA PRO A 41 10.321 -7.747 4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.032 -7.762 7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.277 -7.470 6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.976 -9.889 7.362 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.169 -9.806 5.622 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.236 -10.530 7.723 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.024 -11.210 6.122 1.00 0.00 H new ATOM 718 N ASP A 42 11.280 -5.749 6.038 1.00 0.00 N ATOM 719 CA ASP A 42 11.964 -4.572 6.575 1.00 0.00 C ATOM 720 C ASP A 42 11.191 -3.958 7.758 1.00 0.00 C ATOM 721 O ASP A 42 11.788 -3.376 8.666 1.00 0.00 O ATOM 722 CB ASP A 42 12.165 -3.561 5.440 1.00 0.00 C ATOM 723 CG ASP A 42 13.390 -2.682 5.706 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.514 -3.224 5.595 1.00 0.00 O ATOM 725 OD2 ASP A 42 13.226 -1.464 5.949 1.00 0.00 O ATOM 0 H ASP A 42 10.846 -5.592 5.128 1.00 0.00 H new ATOM 0 HA ASP A 42 12.937 -4.866 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.289 -4.089 4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.277 -2.936 5.342 1.00 0.00 H new ATOM 730 N TRP A 43 9.866 -4.147 7.763 1.00 0.00 N ATOM 731 CA TRP A 43 8.958 -3.861 8.883 1.00 0.00 C ATOM 732 C TRP A 43 7.698 -4.746 8.804 1.00 0.00 C ATOM 733 O TRP A 43 7.321 -5.196 7.719 1.00 0.00 O ATOM 734 CB TRP A 43 8.610 -2.363 8.861 1.00 0.00 C ATOM 735 CG TRP A 43 7.509 -1.902 9.766 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.655 -1.353 10.993 1.00 0.00 C ATOM 737 CD2 TRP A 43 6.075 -1.887 9.492 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.418 -0.976 11.482 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.411 -1.240 10.576 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.275 -2.349 8.425 1.00 0.00 C ATOM 741 CZ2 TRP A 43 4.029 -1.000 10.568 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.891 -2.093 8.402 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.267 -1.420 9.467 1.00 0.00 C ATOM 0 H TRP A 43 9.375 -4.520 6.951 1.00 0.00 H new ATOM 0 HA TRP A 43 9.445 -4.096 9.829 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.511 -1.803 9.113 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.342 -2.093 7.839 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.594 -1.228 11.512 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.268 -0.555 12.399 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.729 -2.905 7.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.557 -0.498 11.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.302 -2.417 7.557 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.205 -1.227 9.438 1.00 0.00 H new ATOM 754 N THR A 44 7.017 -4.977 9.930 1.00 0.00 N ATOM 755 CA THR A 44 5.691 -5.626 9.991 1.00 0.00 C ATOM 756 C THR A 44 4.729 -4.875 10.908 1.00 0.00 C ATOM 757 O THR A 44 5.128 -4.323 11.939 1.00 0.00 O ATOM 758 CB THR A 44 5.759 -7.093 10.453 1.00 0.00 C ATOM 759 OG1 THR A 44 6.457 -7.222 11.675 1.00 0.00 O ATOM 760 CG2 THR A 44 6.449 -7.985 9.428 1.00 0.00 C ATOM 0 H THR A 44 7.375 -4.715 10.849 1.00 0.00 H new ATOM 0 HA THR A 44 5.320 -5.600 8.966 1.00 0.00 H new ATOM 0 HB THR A 44 4.723 -7.410 10.577 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.480 -8.165 11.940 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.474 -9.011 9.796 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.900 -7.951 8.487 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.468 -7.633 9.266 1.00 0.00 H new ATOM 768 N GLY A 45 3.443 -4.881 10.555 1.00 0.00 N ATOM 769 CA GLY A 45 2.397 -4.257 11.363 1.00 0.00 C ATOM 770 C GLY A 45 1.007 -4.308 10.746 1.00 0.00 C ATOM 771 O GLY A 45 0.615 -5.315 10.158 1.00 0.00 O ATOM 0 H GLY A 45 3.098 -5.319 9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.367 -4.747 12.336 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.665 -3.215 11.539 1.00 0.00 H new ATOM 775 N ARG A 46 0.249 -3.227 10.937 1.00 0.00 N ATOM 776 CA ARG A 46 -1.181 -3.097 10.636 1.00 0.00 C ATOM 777 C ARG A 46 -1.418 -2.235 9.392 1.00 0.00 C ATOM 778 O ARG A 46 -0.732 -1.233 9.178 1.00 0.00 O ATOM 779 CB ARG A 46 -1.904 -2.497 11.855 1.00 0.00 C ATOM 780 CG ARG A 46 -1.732 -3.304 13.156 1.00 0.00 C ATOM 781 CD ARG A 46 -2.442 -2.581 14.309 1.00 0.00 C ATOM 782 NE ARG A 46 -2.654 -3.462 15.478 1.00 0.00 N ATOM 783 CZ ARG A 46 -2.507 -3.154 16.756 1.00 0.00 C ATOM 784 NH1 ARG A 46 -2.990 -3.939 17.675 1.00 0.00 N ATOM 785 NH2 ARG A 46 -1.880 -2.086 17.158 1.00 0.00 N ATOM 0 H ARG A 46 0.637 -2.369 11.328 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.583 -4.088 10.424 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.536 -1.484 12.018 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.967 -2.417 11.629 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.145 -4.305 13.032 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.673 -3.422 13.385 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.851 -1.716 14.611 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.404 -2.205 13.961 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.948 -4.418 15.275 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.482 -4.792 17.410 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.876 -3.701 18.660 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.476 -1.444 16.476 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.792 -1.891 18.155 1.00 0.00 H new ATOM 799 N LEU A 47 -2.427 -2.603 8.607 1.00 0.00 N ATOM 800 CA LEU A 47 -2.962 -1.823 7.489 1.00 0.00 C ATOM 801 C LEU A 47 -4.056 -0.871 7.985 1.00 0.00 C ATOM 802 O LEU A 47 -4.944 -1.297 8.726 1.00 0.00 O ATOM 803 CB LEU A 47 -3.551 -2.795 6.449 1.00 0.00 C ATOM 804 CG LEU A 47 -4.242 -2.110 5.251 1.00 0.00 C ATOM 805 CD1 LEU A 47 -3.238 -1.386 4.353 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.996 -3.144 4.425 1.00 0.00 C ATOM 0 H LEU A 47 -2.916 -3.489 8.736 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.165 -1.231 7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.751 -3.434 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.272 -3.445 6.945 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.935 -1.371 5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.765 -0.917 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.719 -0.621 4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.514 -2.102 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.481 -2.653 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.297 -3.894 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.750 -3.626 5.047 1.00 0.00 H new ATOM 818 N ARG A 48 -4.060 0.370 7.487 1.00 0.00 N ATOM 819 CA ARG A 48 -5.159 1.329 7.658 1.00 0.00 C ATOM 820 C ARG A 48 -5.336 2.184 6.398 1.00 0.00 C ATOM 821 O ARG A 48 -4.648 3.180 6.190 1.00 0.00 O ATOM 822 CB ARG A 48 -4.900 2.147 8.940 1.00 0.00 C ATOM 823 CG ARG A 48 -6.103 3.004 9.370 1.00 0.00 C ATOM 824 CD ARG A 48 -5.994 4.478 8.973 1.00 0.00 C ATOM 825 NE ARG A 48 -4.969 5.188 9.751 1.00 0.00 N ATOM 826 CZ ARG A 48 -4.722 6.478 9.707 1.00 0.00 C ATOM 827 NH1 ARG A 48 -3.950 6.996 10.610 1.00 0.00 N ATOM 828 NH2 ARG A 48 -5.217 7.258 8.793 1.00 0.00 N ATOM 0 H ARG A 48 -3.283 0.745 6.942 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.110 0.812 7.786 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.640 1.466 9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.039 2.796 8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.009 2.586 8.930 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.214 2.938 10.452 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.757 4.550 7.912 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.959 4.964 9.118 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.397 4.628 10.383 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.547 6.405 11.337 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.745 7.995 10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.825 6.874 8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.997 8.254 8.799 1.00 0.00 H new ATOM 842 N ILE A 49 -6.274 1.784 5.541 1.00 0.00 N ATOM 843 CA ILE A 49 -6.693 2.561 4.370 1.00 0.00 C ATOM 844 C ILE A 49 -7.704 3.617 4.820 1.00 0.00 C ATOM 845 O ILE A 49 -8.699 3.315 5.483 1.00 0.00 O ATOM 846 CB ILE A 49 -7.258 1.683 3.230 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.349 0.471 2.942 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.440 2.534 1.954 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.855 -0.391 1.782 1.00 0.00 C ATOM 0 H ILE A 49 -6.773 0.900 5.640 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.813 3.045 3.948 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.227 1.298 3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.343 0.824 2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.276 -0.143 3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.838 1.910 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.133 3.350 2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.477 2.943 1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.174 -1.228 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.849 -0.771 2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.902 0.211 0.875 1.00 0.00 H new ATOM 861 N THR A 50 -7.439 4.853 4.424 1.00 0.00 N ATOM 862 CA THR A 50 -8.195 6.070 4.738 1.00 0.00 C ATOM 863 C THR A 50 -8.368 6.912 3.472 1.00 0.00 C ATOM 864 O THR A 50 -7.646 6.716 2.499 1.00 0.00 O ATOM 865 CB THR A 50 -7.512 6.864 5.867 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.146 6.572 6.086 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.197 6.514 7.179 1.00 0.00 C ATOM 0 H THR A 50 -6.633 5.053 3.832 1.00 0.00 H new ATOM 0 HA THR A 50 -9.186 5.794 5.099 1.00 0.00 H new ATOM 0 HB THR A 50 -7.591 7.906 5.556 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.697 6.440 5.225 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.728 7.066 7.993 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.252 6.780 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.102 5.444 7.365 1.00 0.00 H new ATOM 875 N SER A 51 -9.329 7.834 3.434 1.00 0.00 N ATOM 876 CA SER A 51 -9.552 8.732 2.296 1.00 0.00 C ATOM 877 C SER A 51 -10.382 9.939 2.706 1.00 0.00 C ATOM 878 O SER A 51 -11.005 9.928 3.763 1.00 0.00 O ATOM 879 CB SER A 51 -10.251 7.987 1.158 1.00 0.00 C ATOM 880 OG SER A 51 -10.167 8.768 -0.012 1.00 0.00 O ATOM 0 H SER A 51 -9.984 7.982 4.201 1.00 0.00 H new ATOM 0 HA SER A 51 -8.579 9.082 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.783 7.016 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.294 7.800 1.413 1.00 0.00 H new ATOM 0 HG SER A 51 -9.464 9.442 0.095 1.00 0.00 H new ATOM 886 N LYS A 52 -10.356 11.022 1.934 1.00 0.00 N ATOM 887 CA LYS A 52 -11.016 12.275 2.283 1.00 0.00 C ATOM 888 C LYS A 52 -11.900 12.785 1.134 1.00 0.00 C ATOM 889 O LYS A 52 -12.966 12.214 0.900 1.00 0.00 O ATOM 890 CB LYS A 52 -9.956 13.238 2.824 1.00 0.00 C ATOM 891 CG LYS A 52 -9.127 12.718 4.010 1.00 0.00 C ATOM 892 CD LYS A 52 -8.063 13.737 4.461 1.00 0.00 C ATOM 893 CE LYS A 52 -7.159 13.063 5.496 1.00 0.00 C ATOM 894 NZ LYS A 52 -6.054 13.931 5.974 1.00 0.00 N ATOM 0 H LYS A 52 -9.870 11.054 1.038 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.740 12.146 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.275 13.493 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.451 14.161 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.790 12.493 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.639 11.784 3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.476 14.076 3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.539 14.619 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.764 12.756 6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.736 12.157 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.482 13.413 6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.455 14.205 5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.450 14.785 6.417 1.00 0.00 H new ATOM 908 N GLY A 53 -11.476 13.831 0.418 1.00 0.00 N ATOM 909 CA GLY A 53 -12.095 14.288 -0.837 1.00 0.00 C ATOM 910 C GLY A 53 -11.667 13.410 -2.015 1.00 0.00 C ATOM 911 O GLY A 53 -11.909 12.202 -2.030 1.00 0.00 O ATOM 0 H GLY A 53 -10.676 14.398 0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.180 14.267 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.812 15.323 -1.030 1.00 0.00 H new ATOM 915 N LYS A 54 -10.966 14.002 -2.986 1.00 0.00 N ATOM 916 CA LYS A 54 -10.366 13.299 -4.138 1.00 0.00 C ATOM 917 C LYS A 54 -8.966 12.732 -3.838 1.00 0.00 C ATOM 918 O LYS A 54 -8.168 12.544 -4.755 1.00 0.00 O ATOM 919 CB LYS A 54 -10.403 14.203 -5.387 1.00 0.00 C ATOM 920 CG LYS A 54 -11.839 14.595 -5.764 1.00 0.00 C ATOM 921 CD LYS A 54 -11.875 15.487 -7.009 1.00 0.00 C ATOM 922 CE LYS A 54 -13.321 15.927 -7.256 1.00 0.00 C ATOM 923 NZ LYS A 54 -13.427 16.835 -8.428 1.00 0.00 N ATOM 0 H LYS A 54 -10.792 15.007 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.974 12.419 -4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.817 15.103 -5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.936 13.685 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.426 13.695 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.305 15.118 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.234 16.357 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.492 14.945 -7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.946 15.049 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.704 16.431 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.420 17.112 -8.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.850 17.685 -8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.085 16.345 -9.279 1.00 0.00 H new ATOM 937 N THR A 55 -8.661 12.456 -2.564 1.00 0.00 N ATOM 938 CA THR A 55 -7.352 11.945 -2.128 1.00 0.00 C ATOM 939 C THR A 55 -7.526 10.838 -1.092 1.00 0.00 C ATOM 940 O THR A 55 -8.133 11.062 -0.041 1.00 0.00 O ATOM 941 CB THR A 55 -6.455 13.060 -1.554 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.462 14.200 -2.393 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.000 12.606 -1.445 1.00 0.00 C ATOM 0 H THR A 55 -9.322 12.582 -1.797 1.00 0.00 H new ATOM 0 HA THR A 55 -6.858 11.541 -3.012 1.00 0.00 H new ATOM 0 HB THR A 55 -6.858 13.297 -0.569 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.887 14.894 -2.007 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.396 13.416 -1.037 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.938 11.740 -0.787 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.627 12.338 -2.434 1.00 0.00 H new ATOM 951 N ALA A 56 -6.967 9.662 -1.388 1.00 0.00 N ATOM 952 CA ALA A 56 -6.876 8.521 -0.482 1.00 0.00 C ATOM 953 C ALA A 56 -5.492 8.428 0.177 1.00 0.00 C ATOM 954 O ALA A 56 -4.537 9.062 -0.266 1.00 0.00 O ATOM 955 CB ALA A 56 -7.278 7.234 -1.210 1.00 0.00 C ATOM 0 H ALA A 56 -6.551 9.474 -2.300 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.583 8.667 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.206 6.390 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.303 7.324 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.611 7.071 -2.056 1.00 0.00 H new ATOM 961 N TYR A 57 -5.390 7.644 1.246 1.00 0.00 N ATOM 962 CA TYR A 57 -4.219 7.529 2.111 1.00 0.00 C ATOM 963 C TYR A 57 -4.088 6.089 2.632 1.00 0.00 C ATOM 964 O TYR A 57 -4.804 5.687 3.553 1.00 0.00 O ATOM 965 CB TYR A 57 -4.355 8.525 3.280 1.00 0.00 C ATOM 966 CG TYR A 57 -4.567 9.975 2.877 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.461 10.791 2.568 1.00 0.00 C ATOM 968 CD2 TYR A 57 -5.872 10.501 2.790 1.00 0.00 C ATOM 969 CE1 TYR A 57 -3.656 12.137 2.198 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.071 11.835 2.388 1.00 0.00 C ATOM 971 CZ TYR A 57 -4.964 12.662 2.108 1.00 0.00 C ATOM 972 OH TYR A 57 -5.169 13.962 1.766 1.00 0.00 O ATOM 0 H TYR A 57 -6.157 7.043 1.547 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.318 7.767 1.546 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.191 8.213 3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.457 8.464 3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.462 10.384 2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.721 9.879 3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.805 12.767 1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.073 12.226 2.294 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.131 14.149 1.752 1.00 0.00 H new ATOM 982 N ILE A 58 -3.160 5.306 2.073 1.00 0.00 N ATOM 983 CA ILE A 58 -2.777 4.000 2.631 1.00 0.00 C ATOM 984 C ILE A 58 -1.772 4.266 3.749 1.00 0.00 C ATOM 985 O ILE A 58 -0.604 4.547 3.478 1.00 0.00 O ATOM 986 CB ILE A 58 -2.226 3.027 1.555 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.258 2.652 0.463 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.769 1.715 2.225 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.366 3.661 -0.684 1.00 0.00 C ATOM 0 H ILE A 58 -2.653 5.556 1.224 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.656 3.492 3.028 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.403 3.556 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.993 1.679 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.238 2.545 0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.383 1.034 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.986 1.931 2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.615 1.251 2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.111 3.318 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.664 4.632 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.400 3.753 -1.180 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.227 4.211 5.005 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.369 4.368 6.186 1.00 0.00 C ATOM 1003 C LYS A 59 -1.069 3.020 6.845 1.00 0.00 C ATOM 1004 O LYS A 59 -1.916 2.131 6.920 1.00 0.00 O ATOM 1005 CB LYS A 59 -1.949 5.424 7.143 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.218 6.754 6.409 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.118 7.991 7.312 1.00 0.00 C ATOM 1008 CE LYS A 59 -2.509 9.243 6.517 1.00 0.00 C ATOM 1009 NZ LYS A 59 -2.379 10.473 7.337 1.00 0.00 N ATOM 0 H LYS A 59 -3.209 4.055 5.233 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.398 4.751 5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.876 5.053 7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.254 5.594 7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.507 6.856 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.213 6.719 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.773 7.877 8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.102 8.093 7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.877 9.326 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.536 9.146 6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.052 11.190 6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.584 10.250 8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.410 10.843 7.257 1.00 0.00 H new ATOM 1023 N LEU A 60 0.168 2.869 7.300 1.00 0.00 N ATOM 1024 CA LEU A 60 0.708 1.687 7.977 1.00 0.00 C ATOM 1025 C LEU A 60 1.011 2.014 9.443 1.00 0.00 C ATOM 1026 O LEU A 60 1.623 3.041 9.735 1.00 0.00 O ATOM 1027 CB LEU A 60 1.961 1.210 7.223 1.00 0.00 C ATOM 1028 CG LEU A 60 1.708 0.054 6.243 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.622 0.326 5.200 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.002 -0.237 5.490 1.00 0.00 C ATOM 0 H LEU A 60 0.865 3.608 7.203 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.024 0.880 7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.382 2.052 6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.711 0.897 7.950 1.00 0.00 H new ATOM 0 HG LEU A 60 1.365 -0.783 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.513 -0.544 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.324 0.525 5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.903 1.192 4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.839 -1.056 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.312 0.653 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.781 -0.516 6.200 1.00 0.00 H new ATOM 1042 N GLU A 61 0.588 1.150 10.365 1.00 0.00 N ATOM 1043 CA GLU A 61 0.577 1.431 11.809 1.00 0.00 C ATOM 1044 C GLU A 61 1.151 0.271 12.639 1.00 0.00 C ATOM 1045 O GLU A 61 1.081 -0.891 12.241 1.00 0.00 O ATOM 1046 CB GLU A 61 -0.851 1.777 12.270 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.374 3.084 11.645 1.00 0.00 C ATOM 1048 CD GLU A 61 -2.784 3.484 12.123 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.171 4.657 11.892 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.540 2.644 12.668 1.00 0.00 O ATOM 0 H GLU A 61 0.238 0.221 10.132 1.00 0.00 H new ATOM 0 HA GLU A 61 1.228 2.289 11.978 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.522 0.959 12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.867 1.866 13.356 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.679 3.891 11.879 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.385 2.978 10.560 1.00 0.00 H new ATOM 1057 N ASP A 62 1.736 0.561 13.804 1.00 0.00 N ATOM 1058 CA ASP A 62 2.402 -0.445 14.630 1.00 0.00 C ATOM 1059 C ASP A 62 1.426 -1.440 15.275 1.00 0.00 C ATOM 1060 O ASP A 62 0.340 -1.082 15.739 1.00 0.00 O ATOM 1061 CB ASP A 62 3.233 0.240 15.711 1.00 0.00 C ATOM 1062 CG ASP A 62 4.046 -0.781 16.508 1.00 0.00 C ATOM 1063 OD1 ASP A 62 3.649 -1.054 17.659 1.00 0.00 O ATOM 1064 OD2 ASP A 62 4.987 -1.393 15.954 1.00 0.00 O ATOM 0 H ASP A 62 1.760 1.501 14.200 1.00 0.00 H new ATOM 0 HA ASP A 62 3.046 -1.021 13.966 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.904 0.966 15.253 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.577 0.792 16.384 1.00 0.00 H new ATOM 1069 N LYS A 63 1.871 -2.692 15.374 1.00 0.00 N ATOM 1070 CA LYS A 63 1.130 -3.829 15.937 1.00 0.00 C ATOM 1071 C LYS A 63 1.015 -3.887 17.468 1.00 0.00 C ATOM 1072 O LYS A 63 0.296 -4.744 17.982 1.00 0.00 O ATOM 1073 CB LYS A 63 1.623 -5.161 15.318 1.00 0.00 C ATOM 1074 CG LYS A 63 3.117 -5.231 14.940 1.00 0.00 C ATOM 1075 CD LYS A 63 4.110 -4.941 16.076 1.00 0.00 C ATOM 1076 CE LYS A 63 5.526 -4.796 15.496 1.00 0.00 C ATOM 1077 NZ LYS A 63 6.339 -3.827 16.273 1.00 0.00 N ATOM 0 H LYS A 63 2.801 -2.958 15.050 1.00 0.00 H new ATOM 0 HA LYS A 63 0.095 -3.658 15.641 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.411 -5.964 16.024 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.034 -5.360 14.422 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.326 -6.225 14.546 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.301 -4.523 14.132 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.824 -4.028 16.598 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.087 -5.748 16.808 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.020 -5.767 15.494 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.463 -4.469 14.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.327 -3.866 15.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.966 -2.867 16.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.294 -4.068 17.284 1.00 0.00 H new ATOM 1091 N VAL A 64 1.647 -2.964 18.195 1.00 0.00 N ATOM 1092 CA VAL A 64 1.504 -2.800 19.652 1.00 0.00 C ATOM 1093 C VAL A 64 0.944 -1.418 19.993 1.00 0.00 C ATOM 1094 O VAL A 64 -0.050 -1.325 20.717 1.00 0.00 O ATOM 1095 CB VAL A 64 2.843 -3.043 20.383 1.00 0.00 C ATOM 1096 CG1 VAL A 64 2.663 -3.025 21.906 1.00 0.00 C ATOM 1097 CG2 VAL A 64 3.464 -4.397 20.007 1.00 0.00 C ATOM 0 H VAL A 64 2.290 -2.290 17.781 1.00 0.00 H new ATOM 0 HA VAL A 64 0.796 -3.552 19.999 1.00 0.00 H new ATOM 0 HB VAL A 64 3.502 -2.233 20.070 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.625 -3.199 22.388 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.273 -2.055 22.215 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.963 -3.808 22.199 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.404 -4.528 20.543 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.778 -5.200 20.277 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.652 -4.426 18.934 1.00 0.00 H new ATOM 1107 N SER A 65 1.532 -0.350 19.448 1.00 0.00 N ATOM 1108 CA SER A 65 1.229 1.035 19.852 1.00 0.00 C ATOM 1109 C SER A 65 0.210 1.741 18.950 1.00 0.00 C ATOM 1110 O SER A 65 -0.362 2.758 19.346 1.00 0.00 O ATOM 1111 CB SER A 65 2.526 1.850 19.917 1.00 0.00 C ATOM 1112 OG SER A 65 3.410 1.307 20.889 1.00 0.00 O ATOM 0 H SER A 65 2.234 -0.416 18.711 1.00 0.00 H new ATOM 0 HA SER A 65 0.765 0.972 20.836 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.009 1.853 18.940 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.298 2.887 20.164 1.00 0.00 H new ATOM 0 HG SER A 65 4.233 1.838 20.916 1.00 0.00 H new ATOM 1118 N GLY A 66 -0.016 1.229 17.733 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.893 1.844 16.724 1.00 0.00 C ATOM 1120 C GLY A 66 -0.309 3.113 16.088 1.00 0.00 C ATOM 1121 O GLY A 66 -1.023 3.867 15.428 1.00 0.00 O ATOM 0 H GLY A 66 0.413 0.360 17.415 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.095 1.115 15.939 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.849 2.088 17.187 1.00 0.00 H new ATOM 1125 N GLU A 67 0.984 3.372 16.304 1.00 0.00 N ATOM 1126 CA GLU A 67 1.692 4.566 15.839 1.00 0.00 C ATOM 1127 C GLU A 67 2.093 4.458 14.359 1.00 0.00 C ATOM 1128 O GLU A 67 2.310 3.361 13.844 1.00 0.00 O ATOM 1129 CB GLU A 67 2.875 4.858 16.776 1.00 0.00 C ATOM 1130 CG GLU A 67 4.057 3.886 16.656 1.00 0.00 C ATOM 1131 CD GLU A 67 5.186 4.279 17.628 1.00 0.00 C ATOM 1132 OE1 GLU A 67 6.118 5.015 17.218 1.00 0.00 O ATOM 1133 OE2 GLU A 67 5.152 3.858 18.810 1.00 0.00 O ATOM 0 H GLU A 67 1.586 2.734 16.825 1.00 0.00 H new ATOM 0 HA GLU A 67 1.019 5.422 15.883 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.234 5.868 16.578 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.516 4.843 17.805 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.723 2.871 16.870 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.434 3.888 15.633 1.00 0.00 H new ATOM 1140 N LEU A 68 2.180 5.594 13.665 1.00 0.00 N ATOM 1141 CA LEU A 68 2.376 5.651 12.215 1.00 0.00 C ATOM 1142 C LEU A 68 3.801 5.224 11.813 1.00 0.00 C ATOM 1143 O LEU A 68 4.783 5.849 12.223 1.00 0.00 O ATOM 1144 CB LEU A 68 2.039 7.079 11.742 1.00 0.00 C ATOM 1145 CG LEU A 68 2.048 7.278 10.214 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.890 6.547 9.536 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.906 8.764 9.886 1.00 0.00 C ATOM 0 H LEU A 68 2.115 6.514 14.101 1.00 0.00 H new ATOM 0 HA LEU A 68 1.710 4.941 11.724 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.054 7.349 12.123 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.753 7.771 12.188 1.00 0.00 H new ATOM 0 HG LEU A 68 2.992 6.876 9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.935 6.714 8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.964 5.479 9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.056 6.926 9.923 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.913 8.900 8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.967 9.138 10.293 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.737 9.315 10.326 1.00 0.00 H new ATOM 1159 N PHE A 69 3.909 4.197 10.966 1.00 0.00 N ATOM 1160 CA PHE A 69 5.157 3.797 10.308 1.00 0.00 C ATOM 1161 C PHE A 69 5.390 4.618 9.031 1.00 0.00 C ATOM 1162 O PHE A 69 6.421 5.281 8.893 1.00 0.00 O ATOM 1163 CB PHE A 69 5.133 2.287 10.009 1.00 0.00 C ATOM 1164 CG PHE A 69 6.231 1.827 9.059 1.00 0.00 C ATOM 1165 CD1 PHE A 69 5.925 1.489 7.725 1.00 0.00 C ATOM 1166 CD2 PHE A 69 7.570 1.797 9.490 1.00 0.00 C ATOM 1167 CE1 PHE A 69 6.954 1.152 6.827 1.00 0.00 C ATOM 1168 CE2 PHE A 69 8.596 1.429 8.599 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.288 1.113 7.264 1.00 0.00 C ATOM 0 H PHE A 69 3.116 3.608 10.713 1.00 0.00 H new ATOM 0 HA PHE A 69 5.991 3.999 10.981 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.225 1.740 10.947 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.164 2.027 9.582 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.898 1.489 7.392 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.812 2.058 10.510 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.717 0.923 5.799 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.620 1.389 8.941 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.075 0.841 6.576 1.00 0.00 H new ATOM 1179 N ALA A 70 4.420 4.589 8.112 1.00 0.00 N ATOM 1180 CA ALA A 70 4.462 5.285 6.827 1.00 0.00 C ATOM 1181 C ALA A 70 3.049 5.555 6.285 1.00 0.00 C ATOM 1182 O ALA A 70 2.073 4.937 6.718 1.00 0.00 O ATOM 1183 CB ALA A 70 5.273 4.441 5.833 1.00 0.00 C ATOM 0 H ALA A 70 3.557 4.063 8.249 1.00 0.00 H new ATOM 0 HA ALA A 70 4.941 6.254 6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.311 4.950 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.286 4.305 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.798 3.468 5.710 1.00 0.00 H new ATOM 1189 N GLN A 71 2.941 6.466 5.319 1.00 0.00 N ATOM 1190 CA GLN A 71 1.680 6.866 4.690 1.00 0.00 C ATOM 1191 C GLN A 71 1.863 7.157 3.197 1.00 0.00 C ATOM 1192 O GLN A 71 2.772 7.892 2.822 1.00 0.00 O ATOM 1193 CB GLN A 71 1.098 8.092 5.420 1.00 0.00 C ATOM 1194 CG GLN A 71 2.125 9.206 5.693 1.00 0.00 C ATOM 1195 CD GLN A 71 1.490 10.572 5.918 1.00 0.00 C ATOM 1196 OE1 GLN A 71 0.481 10.730 6.598 1.00 0.00 O ATOM 1197 NE2 GLN A 71 2.062 11.604 5.337 1.00 0.00 N ATOM 0 H GLN A 71 3.749 6.960 4.941 1.00 0.00 H new ATOM 0 HA GLN A 71 0.978 6.036 4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.282 8.502 4.825 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.669 7.767 6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.715 8.939 6.570 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.815 9.268 4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.901 11.471 4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.667 12.537 5.451 1.00 0.00 H new ATOM 1206 N ALA A 72 0.989 6.625 2.344 1.00 0.00 N ATOM 1207 CA ALA A 72 0.975 6.873 0.903 1.00 0.00 C ATOM 1208 C ALA A 72 -0.312 7.603 0.475 1.00 0.00 C ATOM 1209 O ALA A 72 -1.348 6.957 0.285 1.00 0.00 O ATOM 1210 CB ALA A 72 1.187 5.541 0.171 1.00 0.00 C ATOM 0 H ALA A 72 0.249 5.991 2.645 1.00 0.00 H new ATOM 0 HA ALA A 72 1.791 7.542 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.179 5.712 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.146 5.114 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.387 4.850 0.435 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.261 8.942 0.319 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.261 9.720 -0.407 1.00 0.00 C ATOM 1218 C PRO A 73 -1.414 9.258 -1.861 1.00 0.00 C ATOM 1219 O PRO A 73 -0.421 9.055 -2.565 1.00 0.00 O ATOM 1220 CB PRO A 73 -0.793 11.178 -0.361 1.00 0.00 C ATOM 1221 CG PRO A 73 0.128 11.226 0.852 1.00 0.00 C ATOM 1222 CD PRO A 73 0.738 9.828 0.893 1.00 0.00 C ATOM 0 HA PRO A 73 -2.239 9.591 0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.267 11.458 -1.274 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.633 11.864 -0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.893 11.995 0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.423 11.450 1.765 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.667 9.790 0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.978 9.536 1.915 1.00 0.00 H new ATOM 1230 N VAL A 74 -2.662 9.150 -2.314 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.071 8.699 -3.651 1.00 0.00 C ATOM 1232 C VAL A 74 -4.102 9.681 -4.211 1.00 0.00 C ATOM 1233 O VAL A 74 -5.137 9.899 -3.586 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.693 7.283 -3.588 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -3.992 6.712 -4.979 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -2.835 6.255 -2.849 1.00 0.00 C ATOM 0 H VAL A 74 -3.463 9.387 -1.728 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.193 8.662 -4.295 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.616 7.439 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.427 5.718 -4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.695 7.365 -5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.067 6.647 -5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.342 5.290 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.871 6.159 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.680 6.582 -1.821 1.00 0.00 H new ATOM 1246 N GLU A 75 -3.861 10.269 -5.382 1.00 0.00 N ATOM 1247 CA GLU A 75 -4.757 11.274 -5.992 1.00 0.00 C ATOM 1248 C GLU A 75 -5.805 10.646 -6.936 1.00 0.00 C ATOM 1249 O GLU A 75 -6.813 11.264 -7.279 1.00 0.00 O ATOM 1250 CB GLU A 75 -3.949 12.342 -6.759 1.00 0.00 C ATOM 1251 CG GLU A 75 -2.561 12.705 -6.201 1.00 0.00 C ATOM 1252 CD GLU A 75 -1.422 11.846 -6.802 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -0.349 12.414 -7.120 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -1.587 10.609 -6.955 1.00 0.00 O ATOM 0 H GLU A 75 -3.035 10.066 -5.945 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.292 11.742 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.822 11.998 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.546 13.253 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.359 13.757 -6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.568 12.582 -5.118 1.00 0.00 H new ATOM 1261 N GLN A 76 -5.532 9.419 -7.384 1.00 0.00 N ATOM 1262 CA GLN A 76 -6.324 8.603 -8.304 1.00 0.00 C ATOM 1263 C GLN A 76 -5.858 7.141 -8.221 1.00 0.00 C ATOM 1264 O GLN A 76 -4.654 6.892 -8.103 1.00 0.00 O ATOM 1265 CB GLN A 76 -6.206 9.138 -9.752 1.00 0.00 C ATOM 1266 CG GLN A 76 -4.850 8.980 -10.478 1.00 0.00 C ATOM 1267 CD GLN A 76 -3.677 9.721 -9.831 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -3.376 10.861 -10.157 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -2.974 9.105 -8.901 1.00 0.00 N ATOM 0 H GLN A 76 -4.685 8.933 -7.089 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.374 8.658 -8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.967 8.641 -10.354 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.455 10.199 -9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.605 7.919 -10.530 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.961 9.333 -11.503 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.218 8.154 -8.623 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.186 9.579 -8.459 1.00 0.00 H new ATOM 1278 N TYR A 77 -6.778 6.180 -8.322 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.458 4.751 -8.359 1.00 0.00 C ATOM 1280 C TYR A 77 -7.275 4.021 -9.448 1.00 0.00 C ATOM 1281 O TYR A 77 -8.507 4.063 -9.384 1.00 0.00 O ATOM 1282 CB TYR A 77 -6.691 4.128 -6.976 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.264 2.677 -6.902 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -7.209 1.671 -6.630 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -4.924 2.333 -7.157 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -6.820 0.317 -6.630 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -4.541 0.982 -7.194 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.485 -0.033 -6.929 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.098 -1.335 -6.973 1.00 0.00 O ATOM 0 H TYR A 77 -7.778 6.374 -8.381 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.405 4.637 -8.618 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.143 4.701 -6.228 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.749 4.203 -6.723 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.235 1.937 -6.421 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.190 3.107 -7.324 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.542 -0.453 -6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.520 0.719 -7.426 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.885 -1.913 -6.886 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.638 3.346 -10.431 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.187 3.227 -10.641 1.00 0.00 C ATOM 1301 C PRO A 78 -4.469 4.562 -10.908 1.00 0.00 C ATOM 1302 O PRO A 78 -5.051 5.496 -11.464 1.00 0.00 O ATOM 1303 CB PRO A 78 -5.008 2.251 -11.809 1.00 0.00 C ATOM 1304 CG PRO A 78 -6.300 1.437 -11.795 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.331 2.479 -11.372 1.00 0.00 C ATOM 0 HA PRO A 78 -4.721 2.867 -9.724 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.875 2.777 -12.755 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.132 1.617 -11.671 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.526 1.014 -12.774 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.250 0.605 -11.093 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.696 3.043 -12.231 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -8.198 2.009 -10.908 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.202 4.645 -10.493 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.340 5.830 -10.583 1.00 0.00 C ATOM 1315 C GLY A 79 -0.880 5.522 -10.219 1.00 0.00 C ATOM 1316 O GLY A 79 -0.454 4.367 -10.277 1.00 0.00 O ATOM 0 H GLY A 79 -2.726 3.851 -10.065 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.382 6.230 -11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.722 6.605 -9.918 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.103 6.542 -9.832 1.00 0.00 N ATOM 1321 CA ILE A 80 1.336 6.394 -9.526 1.00 0.00 C ATOM 1322 C ILE A 80 1.613 5.807 -8.131 1.00 0.00 C ATOM 1323 O ILE A 80 2.521 4.994 -7.971 1.00 0.00 O ATOM 1324 CB ILE A 80 2.090 7.729 -9.751 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.602 7.534 -9.477 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.516 8.884 -8.907 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.503 8.692 -9.909 1.00 0.00 C ATOM 0 H ILE A 80 -0.449 7.495 -9.721 1.00 0.00 H new ATOM 0 HA ILE A 80 1.725 5.658 -10.230 1.00 0.00 H new ATOM 0 HB ILE A 80 1.950 8.014 -10.794 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.742 7.367 -8.409 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.932 6.629 -9.987 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.082 9.795 -9.104 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.470 9.042 -9.170 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.590 8.633 -7.849 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.540 8.454 -9.672 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.403 8.850 -10.983 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.209 9.599 -9.380 1.00 0.00 H new ATOM 1339 N ALA A 81 0.841 6.193 -7.114 1.00 0.00 N ATOM 1340 CA ALA A 81 1.141 5.915 -5.704 1.00 0.00 C ATOM 1341 C ALA A 81 0.765 4.501 -5.242 1.00 0.00 C ATOM 1342 O ALA A 81 0.922 4.200 -4.060 1.00 0.00 O ATOM 1343 CB ALA A 81 0.495 7.020 -4.863 1.00 0.00 C ATOM 0 H ALA A 81 -0.025 6.716 -7.246 1.00 0.00 H new ATOM 0 HA ALA A 81 2.222 5.928 -5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.701 6.841 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.906 7.986 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.582 7.020 -5.028 1.00 0.00 H new ATOM 1349 N VAL A 82 0.300 3.642 -6.154 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.107 2.252 -5.904 1.00 0.00 C ATOM 1351 C VAL A 82 0.090 1.417 -7.177 1.00 0.00 C ATOM 1352 O VAL A 82 -0.402 1.781 -8.245 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.585 2.166 -5.472 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -1.963 0.734 -5.058 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -1.977 3.094 -4.319 1.00 0.00 C ATOM 0 H VAL A 82 0.191 3.907 -7.133 1.00 0.00 H new ATOM 0 HA VAL A 82 0.514 1.864 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.131 2.488 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.011 0.706 -4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.808 0.059 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.339 0.420 -4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.034 2.961 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.380 2.853 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.796 4.129 -4.608 1.00 0.00 H new ATOM 1365 N GLU A 83 0.771 0.278 -7.065 1.00 0.00 N ATOM 1366 CA GLU A 83 1.011 -0.697 -8.141 1.00 0.00 C ATOM 1367 C GLU A 83 0.921 -2.148 -7.642 1.00 0.00 C ATOM 1368 O GLU A 83 1.068 -2.425 -6.453 1.00 0.00 O ATOM 1369 CB GLU A 83 2.392 -0.472 -8.789 1.00 0.00 C ATOM 1370 CG GLU A 83 2.353 0.604 -9.877 1.00 0.00 C ATOM 1371 CD GLU A 83 3.630 0.563 -10.731 1.00 0.00 C ATOM 1372 OE1 GLU A 83 3.794 -0.381 -11.538 1.00 0.00 O ATOM 1373 OE2 GLU A 83 4.507 1.450 -10.601 1.00 0.00 O ATOM 0 H GLU A 83 1.193 -0.009 -6.182 1.00 0.00 H new ATOM 0 HA GLU A 83 0.226 -0.539 -8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.109 -0.183 -8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.746 -1.409 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.480 0.454 -10.512 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.248 1.587 -9.419 1.00 0.00 H new ATOM 1380 N THR A 84 0.717 -3.086 -8.565 1.00 0.00 N ATOM 1381 CA THR A 84 0.694 -4.540 -8.331 1.00 0.00 C ATOM 1382 C THR A 84 2.013 -5.201 -8.754 1.00 0.00 C ATOM 1383 O THR A 84 2.771 -4.661 -9.569 1.00 0.00 O ATOM 1384 CB THR A 84 -0.475 -5.181 -9.102 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.393 -4.878 -10.481 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.825 -4.657 -8.610 1.00 0.00 C ATOM 0 H THR A 84 0.555 -2.848 -9.544 1.00 0.00 H new ATOM 0 HA THR A 84 0.561 -4.701 -7.261 1.00 0.00 H new ATOM 0 HB THR A 84 -0.403 -6.255 -8.933 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.143 -5.296 -10.953 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.627 -5.131 -9.176 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.942 -4.889 -7.551 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.870 -3.577 -8.752 1.00 0.00 H new ATOM 1394 N VAL A 85 2.291 -6.395 -8.225 1.00 0.00 N ATOM 1395 CA VAL A 85 3.291 -7.315 -8.787 1.00 0.00 C ATOM 1396 C VAL A 85 2.694 -8.106 -9.970 1.00 0.00 C ATOM 1397 O VAL A 85 1.477 -8.119 -10.175 1.00 0.00 O ATOM 1398 CB VAL A 85 3.836 -8.271 -7.716 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.408 -7.494 -6.526 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.770 -9.241 -7.222 1.00 0.00 C ATOM 0 H VAL A 85 1.828 -6.755 -7.391 1.00 0.00 H new ATOM 0 HA VAL A 85 4.126 -6.718 -9.154 1.00 0.00 H new ATOM 0 HB VAL A 85 4.632 -8.847 -8.188 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.787 -8.195 -5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.220 -6.852 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.624 -6.881 -6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.199 -9.898 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.941 -8.681 -6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.406 -9.838 -8.058 1.00 0.00 H new ATOM 1410 N THR A 86 3.531 -8.819 -10.722 1.00 0.00 N ATOM 1411 CA THR A 86 3.147 -9.604 -11.909 1.00 0.00 C ATOM 1412 C THR A 86 2.959 -11.097 -11.622 1.00 0.00 C ATOM 1413 O THR A 86 2.229 -11.776 -12.348 1.00 0.00 O ATOM 1414 CB THR A 86 4.205 -9.442 -13.014 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.445 -9.963 -12.583 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.432 -7.972 -13.367 1.00 0.00 C ATOM 0 H THR A 86 4.530 -8.872 -10.521 1.00 0.00 H new ATOM 0 HA THR A 86 2.182 -9.211 -12.230 1.00 0.00 H new ATOM 0 HB THR A 86 3.832 -9.979 -13.886 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.110 -9.856 -13.295 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.186 -7.898 -14.151 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.498 -7.534 -13.719 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.774 -7.434 -12.483 1.00 0.00 H new ATOM 1424 N ASP A 87 3.607 -11.620 -10.574 1.00 0.00 N ATOM 1425 CA ASP A 87 3.742 -13.064 -10.339 1.00 0.00 C ATOM 1426 C ASP A 87 2.765 -13.622 -9.289 1.00 0.00 C ATOM 1427 O ASP A 87 2.215 -14.709 -9.487 1.00 0.00 O ATOM 1428 CB ASP A 87 5.192 -13.369 -9.945 1.00 0.00 C ATOM 1429 CG ASP A 87 5.457 -14.885 -9.900 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.462 -15.471 -8.791 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.664 -15.493 -10.978 1.00 0.00 O ATOM 0 H ASP A 87 4.056 -11.048 -9.859 1.00 0.00 H new ATOM 0 HA ASP A 87 3.480 -13.567 -11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.870 -12.901 -10.658 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.405 -12.932 -8.969 1.00 0.00 H new ATOM 1436 N SER A 88 2.533 -12.889 -8.190 1.00 0.00 N ATOM 1437 CA SER A 88 1.700 -13.365 -7.064 1.00 0.00 C ATOM 1438 C SER A 88 0.700 -12.317 -6.562 1.00 0.00 C ATOM 1439 O SER A 88 1.083 -11.277 -6.034 1.00 0.00 O ATOM 1440 CB SER A 88 2.597 -13.865 -5.928 1.00 0.00 C ATOM 1441 OG SER A 88 1.802 -14.440 -4.905 1.00 0.00 O ATOM 0 H SER A 88 2.914 -11.953 -8.052 1.00 0.00 H new ATOM 0 HA SER A 88 1.096 -14.191 -7.439 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.304 -14.602 -6.309 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.183 -13.039 -5.525 1.00 0.00 H new ATOM 0 HG SER A 88 2.381 -14.760 -4.182 1.00 0.00 H new ATOM 1447 N SER A 89 -0.600 -12.592 -6.689 1.00 0.00 N ATOM 1448 CA SER A 89 -1.703 -11.616 -6.557 1.00 0.00 C ATOM 1449 C SER A 89 -2.024 -11.140 -5.121 1.00 0.00 C ATOM 1450 O SER A 89 -3.150 -10.727 -4.835 1.00 0.00 O ATOM 1451 CB SER A 89 -2.955 -12.170 -7.253 1.00 0.00 C ATOM 1452 OG SER A 89 -2.642 -12.649 -8.556 1.00 0.00 O ATOM 0 H SER A 89 -0.934 -13.534 -6.894 1.00 0.00 H new ATOM 0 HA SER A 89 -1.351 -10.709 -7.048 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.380 -12.977 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.714 -11.390 -7.320 1.00 0.00 H new ATOM 0 HG SER A 89 -3.454 -12.999 -8.980 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.047 -11.199 -4.207 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.131 -10.822 -2.780 1.00 0.00 C ATOM 1460 C ARG A 90 -0.041 -9.829 -2.332 1.00 0.00 C ATOM 1461 O ARG A 90 0.275 -9.745 -1.144 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.283 -12.075 -1.890 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.230 -13.152 -2.175 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.345 -14.388 -1.277 1.00 0.00 C ATOM 1465 NE ARG A 90 0.301 -14.182 0.034 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.028 -15.051 0.714 1.00 0.00 C ATOM 1467 NH1 ARG A 90 1.606 -14.671 1.815 1.00 0.00 N ATOM 1468 NH2 ARG A 90 1.206 -16.284 0.330 1.00 0.00 N ATOM 0 H ARG A 90 -0.115 -11.532 -4.455 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.045 -10.243 -2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.216 -11.779 -0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.276 -12.499 -2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.315 -13.463 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.762 -12.717 -2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.397 -14.631 -1.128 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.112 -15.242 -1.776 1.00 0.00 H new ATOM 0 HE ARG A 90 0.172 -13.266 0.463 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.495 -13.712 2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.170 -15.332 2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.774 -16.617 -0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.777 -16.916 0.892 1.00 0.00 H new ATOM 1482 N TYR A 91 0.517 -9.067 -3.278 1.00 0.00 N ATOM 1483 CA TYR A 91 1.607 -8.107 -3.073 1.00 0.00 C ATOM 1484 C TYR A 91 1.408 -6.822 -3.904 1.00 0.00 C ATOM 1485 O TYR A 91 0.945 -6.880 -5.047 1.00 0.00 O ATOM 1486 CB TYR A 91 2.932 -8.777 -3.456 1.00 0.00 C ATOM 1487 CG TYR A 91 3.338 -9.966 -2.610 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.048 -11.275 -3.040 1.00 0.00 C ATOM 1489 CD2 TYR A 91 4.017 -9.762 -1.394 1.00 0.00 C ATOM 1490 CE1 TYR A 91 3.431 -12.380 -2.258 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.383 -10.865 -0.599 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.094 -12.178 -1.028 1.00 0.00 C ATOM 1493 OH TYR A 91 4.458 -13.238 -0.256 1.00 0.00 O ATOM 0 H TYR A 91 0.208 -9.104 -4.249 1.00 0.00 H new ATOM 0 HA TYR A 91 1.616 -7.814 -2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.867 -9.100 -4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.724 -8.030 -3.403 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.529 -11.431 -3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.257 -8.760 -1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.218 -13.383 -2.598 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.887 -10.706 0.343 1.00 0.00 H new ATOM 0 HH TYR A 91 4.904 -12.915 0.554 1.00 0.00 H new ATOM 1503 N PHE A 92 1.796 -5.669 -3.348 1.00 0.00 N ATOM 1504 CA PHE A 92 1.657 -4.340 -3.964 1.00 0.00 C ATOM 1505 C PHE A 92 2.865 -3.455 -3.664 1.00 0.00 C ATOM 1506 O PHE A 92 3.577 -3.689 -2.693 1.00 0.00 O ATOM 1507 CB PHE A 92 0.405 -3.626 -3.432 1.00 0.00 C ATOM 1508 CG PHE A 92 -0.875 -4.403 -3.603 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.282 -5.277 -2.585 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.643 -4.277 -4.775 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.456 -6.024 -2.730 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.814 -5.041 -4.926 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.222 -5.916 -3.905 1.00 0.00 C ATOM 0 H PHE A 92 2.230 -5.632 -2.426 1.00 0.00 H new ATOM 0 HA PHE A 92 1.578 -4.498 -5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.547 -3.411 -2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.305 -2.667 -3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.689 -5.374 -1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.335 -3.597 -5.555 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.775 -6.685 -1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.401 -4.955 -5.829 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.121 -6.504 -4.022 1.00 0.00 H new ATOM 1523 N VAL A 93 3.062 -2.397 -4.445 1.00 0.00 N ATOM 1524 CA VAL A 93 3.986 -1.298 -4.136 1.00 0.00 C ATOM 1525 C VAL A 93 3.187 -0.018 -3.929 1.00 0.00 C ATOM 1526 O VAL A 93 2.250 0.228 -4.685 1.00 0.00 O ATOM 1527 CB VAL A 93 5.044 -1.139 -5.241 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.991 0.039 -5.000 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.870 -2.422 -5.329 1.00 0.00 C ATOM 0 H VAL A 93 2.575 -2.272 -5.332 1.00 0.00 H new ATOM 0 HA VAL A 93 4.526 -1.525 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 93 4.509 -0.942 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.713 0.097 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.417 0.965 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.518 -0.105 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.623 -2.317 -6.110 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.362 -2.604 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.215 -3.261 -5.566 1.00 0.00 H new ATOM 1539 N ILE A 94 3.548 0.811 -2.945 1.00 0.00 N ATOM 1540 CA ILE A 94 2.931 2.129 -2.744 1.00 0.00 C ATOM 1541 C ILE A 94 3.977 3.232 -2.557 1.00 0.00 C ATOM 1542 O ILE A 94 5.055 2.995 -2.003 1.00 0.00 O ATOM 1543 CB ILE A 94 1.851 2.149 -1.638 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.356 1.935 -0.191 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.683 1.202 -1.954 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.682 0.491 0.225 1.00 0.00 C ATOM 0 H ILE A 94 4.275 0.589 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 94 2.397 2.346 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 94 1.496 3.179 -1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.253 2.539 -0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.601 2.323 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.051 1.249 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.214 1.502 -2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.056 0.182 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.025 0.479 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.788 -0.125 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.465 0.094 -0.421 1.00 0.00 H new ATOM 1558 N ARG A 95 3.655 4.451 -3.014 1.00 0.00 N ATOM 1559 CA ARG A 95 4.527 5.633 -2.885 1.00 0.00 C ATOM 1560 C ARG A 95 4.249 6.370 -1.577 1.00 0.00 C ATOM 1561 O ARG A 95 3.416 7.277 -1.526 1.00 0.00 O ATOM 1562 CB ARG A 95 4.412 6.551 -4.114 1.00 0.00 C ATOM 1563 CG ARG A 95 5.543 7.591 -4.136 1.00 0.00 C ATOM 1564 CD ARG A 95 5.375 8.568 -5.303 1.00 0.00 C ATOM 1565 NE ARG A 95 6.493 9.529 -5.355 1.00 0.00 N ATOM 1566 CZ ARG A 95 6.683 10.486 -6.242 1.00 0.00 C ATOM 1567 NH1 ARG A 95 7.735 11.241 -6.147 1.00 0.00 N ATOM 1568 NH2 ARG A 95 5.852 10.714 -7.218 1.00 0.00 N ATOM 0 H ARG A 95 2.774 4.648 -3.488 1.00 0.00 H new ATOM 0 HA ARG A 95 5.562 5.294 -2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.447 5.952 -5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.447 7.058 -4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.552 8.142 -3.196 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.505 7.084 -4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.323 8.014 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.433 9.106 -5.198 1.00 0.00 H new ATOM 0 HE ARG A 95 7.198 9.444 -4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.404 11.091 -5.392 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.892 11.984 -6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.014 10.141 -7.319 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.039 11.466 -7.882 1.00 0.00 H new ATOM 1582 N ILE A 96 4.946 5.989 -0.513 1.00 0.00 N ATOM 1583 CA ILE A 96 4.847 6.674 0.784 1.00 0.00 C ATOM 1584 C ILE A 96 5.513 8.058 0.733 1.00 0.00 C ATOM 1585 O ILE A 96 6.543 8.232 0.082 1.00 0.00 O ATOM 1586 CB ILE A 96 5.282 5.794 1.980 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.786 5.445 2.026 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.446 4.506 2.037 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.585 6.363 2.957 1.00 0.00 C ATOM 0 H ILE A 96 5.594 5.202 -0.517 1.00 0.00 H new ATOM 0 HA ILE A 96 3.790 6.855 0.977 1.00 0.00 H new ATOM 0 HB ILE A 96 5.097 6.411 2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.904 4.412 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.199 5.509 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.767 3.901 2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.392 4.761 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.584 3.941 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.634 6.068 2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.495 7.394 2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.195 6.281 3.972 1.00 0.00 H new ATOM 1601 N GLN A 97 4.900 9.055 1.377 1.00 0.00 N ATOM 1602 CA GLN A 97 5.280 10.476 1.333 1.00 0.00 C ATOM 1603 C GLN A 97 5.216 11.124 2.722 1.00 0.00 C ATOM 1604 O GLN A 97 4.317 10.858 3.521 1.00 0.00 O ATOM 1605 CB GLN A 97 4.361 11.265 0.383 1.00 0.00 C ATOM 1606 CG GLN A 97 4.522 10.927 -1.109 1.00 0.00 C ATOM 1607 CD GLN A 97 3.199 11.027 -1.864 1.00 0.00 C ATOM 1608 OE1 GLN A 97 2.711 12.099 -2.192 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.564 9.909 -2.135 1.00 0.00 N ATOM 0 H GLN A 97 4.088 8.889 1.971 1.00 0.00 H new ATOM 0 HA GLN A 97 6.307 10.511 0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.325 11.085 0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.549 12.330 0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.248 11.605 -1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.922 9.918 -1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.969 9.013 -1.862 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.666 9.937 -2.618 1.00 0.00 H new ATOM 1682 N SER A 103 9.549 11.393 -0.796 1.00 0.00 N ATOM 1683 CA SER A 103 8.852 10.131 -1.043 1.00 0.00 C ATOM 1684 C SER A 103 9.767 8.913 -1.222 1.00 0.00 C ATOM 1685 O SER A 103 10.956 9.047 -1.524 1.00 0.00 O ATOM 1686 CB SER A 103 7.920 10.274 -2.253 1.00 0.00 C ATOM 1687 OG SER A 103 8.646 10.422 -3.465 1.00 0.00 O ATOM 0 HA SER A 103 8.280 9.932 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.275 9.398 -2.320 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.270 11.138 -2.111 1.00 0.00 H new ATOM 0 HG SER A 103 8.955 9.544 -3.771 1.00 0.00 H new ATOM 1693 N ALA A 104 9.190 7.720 -1.059 1.00 0.00 N ATOM 1694 CA ALA A 104 9.798 6.428 -1.377 1.00 0.00 C ATOM 1695 C ALA A 104 8.744 5.438 -1.902 1.00 0.00 C ATOM 1696 O ALA A 104 7.585 5.475 -1.490 1.00 0.00 O ATOM 1697 CB ALA A 104 10.499 5.881 -0.126 1.00 0.00 C ATOM 0 H ALA A 104 8.246 7.625 -0.686 1.00 0.00 H new ATOM 0 HA ALA A 104 10.535 6.562 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.954 4.918 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.271 6.581 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.770 5.756 0.674 1.00 0.00 H new ATOM 1703 N PHE A 105 9.147 4.522 -2.783 1.00 0.00 N ATOM 1704 CA PHE A 105 8.326 3.380 -3.194 1.00 0.00 C ATOM 1705 C PHE A 105 8.675 2.164 -2.323 1.00 0.00 C ATOM 1706 O PHE A 105 9.814 1.692 -2.347 1.00 0.00 O ATOM 1707 CB PHE A 105 8.519 3.105 -4.692 1.00 0.00 C ATOM 1708 CG PHE A 105 7.802 4.078 -5.617 1.00 0.00 C ATOM 1709 CD1 PHE A 105 6.502 3.781 -6.070 1.00 0.00 C ATOM 1710 CD2 PHE A 105 8.430 5.260 -6.058 1.00 0.00 C ATOM 1711 CE1 PHE A 105 5.846 4.631 -6.974 1.00 0.00 C ATOM 1712 CE2 PHE A 105 7.771 6.119 -6.958 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.485 5.798 -7.425 1.00 0.00 C ATOM 0 H PHE A 105 10.060 4.551 -3.236 1.00 0.00 H new ATOM 0 HA PHE A 105 7.269 3.602 -3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.585 3.130 -4.917 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.171 2.095 -4.910 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.004 2.889 -5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.420 5.508 -5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.853 4.389 -7.322 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.254 7.026 -7.290 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.988 6.448 -8.130 1.00 0.00 H new ATOM 1723 N ILE A 106 7.704 1.663 -1.552 1.00 0.00 N ATOM 1724 CA ILE A 106 7.849 0.474 -0.687 1.00 0.00 C ATOM 1725 C ILE A 106 6.918 -0.649 -1.138 1.00 0.00 C ATOM 1726 O ILE A 106 5.815 -0.383 -1.613 1.00 0.00 O ATOM 1727 CB ILE A 106 7.663 0.793 0.817 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.197 1.078 1.220 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.593 1.949 1.218 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.987 1.285 2.726 1.00 0.00 C ATOM 0 H ILE A 106 6.773 2.077 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 106 8.878 0.132 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 106 7.937 -0.105 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.853 1.967 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.573 0.248 0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.461 2.172 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.629 1.663 1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.350 2.833 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.933 1.479 2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.297 0.389 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.582 2.134 3.063 1.00 0.00 H new ATOM 1742 N GLY A 107 7.341 -1.898 -0.964 1.00 0.00 N ATOM 1743 CA GLY A 107 6.500 -3.072 -1.196 1.00 0.00 C ATOM 1744 C GLY A 107 5.712 -3.431 0.061 1.00 0.00 C ATOM 1745 O GLY A 107 6.233 -3.277 1.166 1.00 0.00 O ATOM 0 H GLY A 107 8.286 -2.127 -0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.812 -2.875 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.121 -3.916 -1.495 1.00 0.00 H new ATOM 1749 N ILE A 108 4.491 -3.940 -0.095 1.00 0.00 N ATOM 1750 CA ILE A 108 3.699 -4.584 0.957 1.00 0.00 C ATOM 1751 C ILE A 108 3.174 -5.950 0.507 1.00 0.00 C ATOM 1752 O ILE A 108 2.837 -6.144 -0.664 1.00 0.00 O ATOM 1753 CB ILE A 108 2.558 -3.699 1.513 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.530 -3.249 0.453 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.157 -2.515 2.284 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.269 -2.606 1.057 1.00 0.00 C ATOM 0 H ILE A 108 4.006 -3.915 -0.992 1.00 0.00 H new ATOM 0 HA ILE A 108 4.387 -4.736 1.788 1.00 0.00 H new ATOM 0 HB ILE A 108 1.977 -4.317 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.004 -2.537 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.237 -4.111 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.353 -1.892 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.762 -2.888 3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.782 -1.923 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.410 -2.314 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.228 -3.323 1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.550 -1.725 1.634 1.00 0.00 H new ATOM 1768 N GLY A 109 3.090 -6.894 1.444 1.00 0.00 N ATOM 1769 CA GLY A 109 2.561 -8.242 1.235 1.00 0.00 C ATOM 1770 C GLY A 109 1.494 -8.642 2.251 1.00 0.00 C ATOM 1771 O GLY A 109 1.555 -8.258 3.424 1.00 0.00 O ATOM 0 H GLY A 109 3.399 -6.736 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.139 -8.307 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.382 -8.957 1.282 1.00 0.00 H new ATOM 1775 N PHE A 110 0.535 -9.440 1.781 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.586 -9.992 2.546 1.00 0.00 C ATOM 1777 C PHE A 110 -0.424 -11.498 2.786 1.00 0.00 C ATOM 1778 O PHE A 110 0.352 -12.173 2.106 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.893 -9.688 1.799 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.263 -8.223 1.841 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -3.076 -7.748 2.887 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -1.752 -7.324 0.885 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -3.378 -6.381 2.976 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -2.055 -5.954 0.979 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.869 -5.486 2.020 1.00 0.00 C ATOM 0 H PHE A 110 0.517 -9.735 0.805 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.609 -9.522 3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.795 -10.004 0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.701 -10.275 2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.468 -8.436 3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.128 -7.686 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.002 -6.017 3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.661 -5.262 0.249 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.106 -4.434 2.087 1.00 0.00 H new ATOM 1795 N THR A 111 -1.198 -12.046 3.725 1.00 0.00 N ATOM 1796 CA THR A 111 -1.218 -13.487 4.042 1.00 0.00 C ATOM 1797 C THR A 111 -1.937 -14.324 2.974 1.00 0.00 C ATOM 1798 O THR A 111 -1.635 -15.505 2.792 1.00 0.00 O ATOM 1799 CB THR A 111 -1.828 -13.701 5.441 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.588 -15.017 5.892 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.335 -13.438 5.522 1.00 0.00 C ATOM 0 H THR A 111 -1.840 -11.499 4.298 1.00 0.00 H new ATOM 0 HA THR A 111 -0.187 -13.842 4.045 1.00 0.00 H new ATOM 0 HB THR A 111 -1.333 -12.965 6.075 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.981 -15.135 6.782 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.681 -13.612 6.541 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.540 -12.405 5.241 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.859 -14.109 4.841 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.866 -13.713 2.226 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.699 -14.378 1.221 1.00 0.00 C ATOM 1811 C ASP A 112 -4.220 -13.390 0.161 1.00 0.00 C ATOM 1812 O ASP A 112 -4.386 -12.195 0.433 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.875 -15.079 1.928 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.685 -15.951 0.959 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -6.769 -15.507 0.514 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -5.214 -17.056 0.601 1.00 0.00 O ATOM 0 H ASP A 112 -3.062 -12.715 2.307 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.088 -15.113 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.494 -15.697 2.741 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.528 -14.330 2.376 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.526 -13.896 -1.043 1.00 0.00 N ATOM 1822 CA ARG A 113 -5.116 -13.115 -2.146 1.00 0.00 C ATOM 1823 C ARG A 113 -6.442 -12.451 -1.761 1.00 0.00 C ATOM 1824 O ARG A 113 -6.683 -11.328 -2.191 1.00 0.00 O ATOM 1825 CB ARG A 113 -5.278 -14.024 -3.377 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.814 -13.252 -4.593 1.00 0.00 C ATOM 1827 CD ARG A 113 -5.990 -14.162 -5.812 1.00 0.00 C ATOM 1828 NE ARG A 113 -6.680 -13.449 -6.905 1.00 0.00 N ATOM 1829 CZ ARG A 113 -6.963 -13.925 -8.103 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -7.656 -13.214 -8.944 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -6.574 -15.107 -8.493 1.00 0.00 N ATOM 0 H ARG A 113 -4.369 -14.875 -1.284 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.436 -12.297 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -4.316 -14.472 -3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.958 -14.842 -3.138 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.770 -12.794 -4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -5.128 -12.442 -4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.016 -14.508 -6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -6.562 -15.047 -5.531 1.00 0.00 H new ATOM 0 HE ARG A 113 -6.968 -12.489 -6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.983 -12.285 -8.678 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.872 -13.586 -9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -6.031 -15.699 -7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -6.813 -15.440 -9.427 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.279 -13.085 -0.940 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.570 -12.527 -0.522 1.00 0.00 C ATOM 1847 C GLY A 114 -8.441 -11.219 0.270 1.00 0.00 C ATOM 1848 O GLY A 114 -9.236 -10.299 0.076 1.00 0.00 O ATOM 0 H GLY A 114 -7.082 -14.004 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.184 -12.349 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.095 -13.262 0.088 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.403 -11.089 1.101 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.134 -9.866 1.871 1.00 0.00 C ATOM 1854 C ASP A 115 -6.442 -8.787 1.026 1.00 0.00 C ATOM 1855 O ASP A 115 -6.773 -7.607 1.152 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.333 -10.204 3.134 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.227 -10.866 4.194 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -8.144 -10.180 4.707 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -7.014 -12.059 4.517 1.00 0.00 O ATOM 0 H ASP A 115 -6.721 -11.831 1.261 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.091 -9.442 2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.510 -10.872 2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.891 -9.295 3.542 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.560 -9.181 0.102 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.013 -8.279 -0.909 1.00 0.00 C ATOM 1866 C ALA A 116 -6.085 -7.716 -1.865 1.00 0.00 C ATOM 1867 O ALA A 116 -6.068 -6.532 -2.204 1.00 0.00 O ATOM 1868 CB ALA A 116 -3.961 -9.075 -1.670 1.00 0.00 C ATOM 0 H ALA A 116 -5.207 -10.136 0.036 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.584 -7.401 -0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.517 -8.446 -2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.185 -9.405 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.427 -9.944 -2.134 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.057 -8.535 -2.272 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.189 -8.077 -3.081 1.00 0.00 C ATOM 1876 C PHE A 117 -9.123 -7.155 -2.287 1.00 0.00 C ATOM 1877 O PHE A 117 -9.622 -6.185 -2.849 1.00 0.00 O ATOM 1878 CB PHE A 117 -8.921 -9.266 -3.724 1.00 0.00 C ATOM 1879 CG PHE A 117 -8.390 -9.601 -5.110 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.026 -9.905 -5.299 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -9.240 -9.520 -6.231 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -6.515 -10.094 -6.593 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.731 -9.725 -7.526 1.00 0.00 C ATOM 1884 CZ PHE A 117 -7.363 -9.999 -7.710 1.00 0.00 C ATOM 0 H PHE A 117 -7.082 -9.531 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 117 -7.798 -7.469 -3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -8.822 -10.140 -3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.985 -9.039 -3.792 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.371 -9.993 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.288 -9.299 -6.095 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -5.466 -10.313 -6.731 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.390 -9.672 -8.380 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.966 -10.136 -8.705 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.293 -7.364 -0.981 1.00 0.00 N ATOM 1895 CA ASP A 118 -10.059 -6.456 -0.117 1.00 0.00 C ATOM 1896 C ASP A 118 -9.361 -5.088 0.067 1.00 0.00 C ATOM 1897 O ASP A 118 -10.018 -4.048 0.028 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.320 -7.168 1.219 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.404 -6.507 2.083 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -11.276 -6.590 3.328 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -12.409 -5.985 1.544 1.00 0.00 O ATOM 0 H ASP A 118 -8.904 -8.168 -0.489 1.00 0.00 H new ATOM 0 HA ASP A 118 -11.012 -6.222 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -10.610 -8.199 1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.390 -7.204 1.787 1.00 0.00 H new ATOM 1906 N PHE A 119 -8.024 -5.065 0.155 1.00 0.00 N ATOM 1907 CA PHE A 119 -7.190 -3.850 0.093 1.00 0.00 C ATOM 1908 C PHE A 119 -7.413 -3.073 -1.221 1.00 0.00 C ATOM 1909 O PHE A 119 -7.612 -1.857 -1.221 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.717 -4.263 0.290 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.693 -3.277 -0.244 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -4.289 -3.329 -1.591 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -4.167 -2.283 0.596 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.407 -2.363 -2.106 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -3.295 -1.312 0.082 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.913 -1.346 -1.270 1.00 0.00 C ATOM 0 H PHE A 119 -7.474 -5.915 0.275 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.476 -3.163 0.890 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.536 -4.409 1.355 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.558 -5.226 -0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.659 -4.115 -2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.435 -2.266 1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.109 -2.402 -3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.915 -0.535 0.728 1.00 0.00 H new ATOM 0 HZ PHE A 119 -2.244 -0.596 -1.665 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.432 -3.787 -2.345 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.555 -3.222 -3.689 1.00 0.00 C ATOM 1928 C ASN A 120 -8.986 -2.744 -4.021 1.00 0.00 C ATOM 1929 O ASN A 120 -9.166 -1.707 -4.667 1.00 0.00 O ATOM 1930 CB ASN A 120 -7.038 -4.315 -4.643 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.472 -4.148 -6.085 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -7.167 -3.171 -6.748 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.217 -5.100 -6.601 1.00 0.00 N ATOM 0 H ASN A 120 -7.360 -4.804 -2.347 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.967 -2.309 -3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -5.949 -4.328 -4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.381 -5.285 -4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.545 -5.025 -7.564 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.467 -5.913 -6.039 1.00 0.00 H new ATOM 1940 N VAL A 121 -10.016 -3.473 -3.580 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.424 -3.138 -3.844 1.00 0.00 C ATOM 1942 C VAL A 121 -11.914 -2.007 -2.936 1.00 0.00 C ATOM 1943 O VAL A 121 -12.594 -1.099 -3.414 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.317 -4.395 -3.759 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.817 -4.075 -3.808 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -12.023 -5.330 -4.943 1.00 0.00 C ATOM 0 H VAL A 121 -9.898 -4.320 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.496 -2.764 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 121 -12.084 -4.858 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.389 -5.001 -3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -14.079 -3.428 -2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.051 -3.568 -4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.657 -6.214 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.227 -4.808 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.976 -5.632 -4.917 1.00 0.00 H new ATOM 1956 N SER A 122 -11.528 -1.984 -1.657 1.00 0.00 N ATOM 1957 CA SER A 122 -11.912 -0.895 -0.742 1.00 0.00 C ATOM 1958 C SER A 122 -11.321 0.466 -1.142 1.00 0.00 C ATOM 1959 O SER A 122 -11.976 1.493 -0.951 1.00 0.00 O ATOM 1960 CB SER A 122 -11.539 -1.237 0.703 1.00 0.00 C ATOM 1961 OG SER A 122 -10.150 -1.456 0.825 1.00 0.00 O ATOM 0 H SER A 122 -10.949 -2.706 -1.228 1.00 0.00 H new ATOM 0 HA SER A 122 -12.995 -0.801 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.843 -0.425 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 122 -12.081 -2.127 1.022 1.00 0.00 H new ATOM 0 HG SER A 122 -9.938 -2.372 0.550 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.135 0.491 -1.767 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.496 1.692 -2.292 1.00 0.00 C ATOM 1969 C LEU A 123 -10.197 2.199 -3.567 1.00 0.00 C ATOM 1970 O LEU A 123 -10.561 3.374 -3.642 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.007 1.357 -2.497 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.151 2.541 -2.954 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -7.035 3.636 -1.892 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -5.753 2.053 -3.313 1.00 0.00 C ATOM 0 H LEU A 123 -9.583 -0.352 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.582 2.523 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -7.602 0.971 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.925 0.558 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.649 2.974 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -6.417 4.449 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -8.028 4.017 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.578 3.224 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -5.145 2.897 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -5.294 1.590 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -5.819 1.322 -4.119 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.453 1.328 -4.552 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.099 1.733 -5.815 1.00 0.00 C ATOM 1988 C GLN A 124 -12.587 2.096 -5.653 1.00 0.00 C ATOM 1989 O GLN A 124 -13.116 2.891 -6.430 1.00 0.00 O ATOM 1990 CB GLN A 124 -10.867 0.668 -6.901 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.812 -0.536 -6.821 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.340 -1.680 -7.710 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -11.909 -1.979 -8.753 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.276 -2.358 -7.338 1.00 0.00 N ATOM 0 H GLN A 124 -10.223 0.335 -4.502 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.621 2.658 -6.138 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -10.976 1.135 -7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.839 0.313 -6.830 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -11.877 -0.880 -5.789 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -12.815 -0.232 -7.120 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.795 -2.117 -6.471 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -9.932 -3.125 -7.916 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.256 1.586 -4.613 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.645 1.916 -4.280 1.00 0.00 C ATOM 2005 C ASP A 125 -14.769 3.267 -3.548 1.00 0.00 C ATOM 2006 O ASP A 125 -15.880 3.732 -3.284 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.276 0.753 -3.496 1.00 0.00 C ATOM 2008 CG ASP A 125 -16.792 0.923 -3.286 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.511 1.243 -4.264 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.276 0.708 -2.149 1.00 0.00 O ATOM 0 H ASP A 125 -12.837 0.918 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.204 2.044 -5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.091 -0.180 -4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.787 0.669 -2.525 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.647 3.952 -3.287 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.663 5.399 -3.056 1.00 0.00 C ATOM 2017 C HIS A 126 -13.534 6.207 -4.353 1.00 0.00 C ATOM 2018 O HIS A 126 -14.161 7.253 -4.481 1.00 0.00 O ATOM 2019 CB HIS A 126 -12.594 5.802 -2.036 1.00 0.00 C ATOM 2020 CG HIS A 126 -12.721 7.254 -1.638 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -13.503 7.741 -0.587 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -12.159 8.313 -2.295 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.397 9.080 -0.636 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -12.602 9.448 -1.653 1.00 0.00 N ATOM 0 H HIS A 126 -12.721 3.527 -3.231 1.00 0.00 H new ATOM 0 HA HIS A 126 -14.641 5.642 -2.640 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -12.681 5.173 -1.150 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.604 5.625 -2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.499 8.268 -3.148 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -13.882 9.763 0.046 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -12.366 10.407 -1.908 1.00 0.00 H new ATOM 2032 N PHE A 127 -12.762 5.732 -5.334 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.441 6.485 -6.555 1.00 0.00 C ATOM 2034 C PHE A 127 -13.420 6.309 -7.724 1.00 0.00 C ATOM 2035 O PHE A 127 -13.283 7.027 -8.714 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.002 6.173 -6.985 1.00 0.00 C ATOM 2037 CG PHE A 127 -9.948 6.809 -6.104 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -9.775 8.207 -6.116 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -9.118 6.010 -5.300 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -8.742 8.796 -5.366 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -8.077 6.595 -4.561 1.00 0.00 C ATOM 2042 CZ PHE A 127 -7.886 7.986 -4.601 1.00 0.00 C ATOM 0 H PHE A 127 -12.337 4.805 -5.305 1.00 0.00 H new ATOM 0 HA PHE A 127 -12.545 7.537 -6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -10.859 5.092 -6.984 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -10.858 6.513 -8.011 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -10.437 8.827 -6.702 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -9.281 4.944 -5.250 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -8.607 9.867 -5.378 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -7.424 5.976 -3.963 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.078 8.435 -4.042 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.428 5.427 -7.644 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.342 5.144 -8.776 1.00 0.00 C ATOM 2054 C LYS A 128 -16.053 6.366 -9.385 1.00 0.00 C ATOM 2055 O LYS A 128 -16.359 6.358 -10.576 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.326 4.002 -8.456 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.518 4.351 -7.551 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.100 4.591 -6.099 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.298 4.760 -5.165 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.026 3.482 -4.940 1.00 0.00 N ATOM 0 H LYS A 128 -14.637 4.890 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.675 4.808 -9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.716 3.615 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -15.767 3.193 -7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.013 5.243 -7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.247 3.541 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.492 3.754 -5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.474 5.482 -6.047 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -17.956 5.154 -4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -18.983 5.496 -5.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.708 3.603 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -19.533 3.214 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.347 2.735 -4.690 1.00 0.00 H new