USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 804 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 97 HIS : no HD1:sc= -1.47 K(o=-1.6,f=-3.6) USER MOD Set 1.2: A 99 SER OG : rot -90:sc= -0.0837 USER MOD Set 2.1: A 30 LYS NZ :NH3+ -174:sc= -0.266 (180deg=-0.394) USER MOD Set 2.2: A 34 HIS : no HD1:sc= -0.355 X(o=-0.62,f=-0.42) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= -0.0164 (180deg=-0.0232) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 83:sc= 0.0819 USER MOD Single : A 31 MET CE :methyl 170:sc= -1.17 (180deg=-1.41) USER MOD Single : A 33 GLN : amide:sc= -0.0271 K(o=-0.027,f=-0.9) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.0815 K(o=0.082,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.404 X(o=-0.4,f=-0.037) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 61 SER OG : rot -166:sc= 1.07 USER MOD Single : A 67 HIS : no HD1:sc= 0.798 K(o=0.8,f=-6.3!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.793 K(o=0.79,f=-1.5) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.4) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0.386 X(o=0.39,f=0) USER MOD Single : A 107 THR OG1 : rot -39:sc= 0.525 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 17 -1.948 9.787 13.749 1.00 0.00 N ATOM 198 CA LYS A 17 -2.497 8.855 12.765 1.00 0.00 C ATOM 199 C LYS A 17 -2.241 9.378 11.358 1.00 0.00 C ATOM 200 O LYS A 17 -1.701 8.624 10.548 1.00 0.00 O ATOM 201 CB LYS A 17 -3.996 8.628 13.023 1.00 0.00 C ATOM 202 CG LYS A 17 -4.722 7.679 12.056 1.00 0.00 C ATOM 203 CD LYS A 17 -4.612 6.182 12.371 1.00 0.00 C ATOM 204 CE LYS A 17 -3.186 5.629 12.377 1.00 0.00 C ATOM 205 NZ LYS A 17 -2.630 5.445 13.737 1.00 0.00 N ATOM 0 HA LYS A 17 -1.998 7.891 12.861 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.113 8.239 14.035 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.498 9.595 12.993 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.778 7.949 12.038 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.332 7.848 11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.062 5.997 13.346 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.198 5.627 11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.174 4.672 11.855 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.540 6.305 11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.646 5.117 13.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.658 6.350 14.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.195 4.739 14.251 1.00 0.00 H new ATOM 219 N ALA A 18 -2.599 10.640 11.079 1.00 0.00 N ATOM 220 CA ALA A 18 -2.592 11.167 9.716 1.00 0.00 C ATOM 221 C ALA A 18 -1.205 11.016 9.095 1.00 0.00 C ATOM 222 O ALA A 18 -1.084 10.503 7.989 1.00 0.00 O ATOM 223 CB ALA A 18 -3.043 12.632 9.680 1.00 0.00 C ATOM 0 H ALA A 18 -2.897 11.313 11.785 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.304 10.587 9.129 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.026 12.993 8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.056 12.711 10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.368 13.235 10.287 1.00 0.00 H new ATOM 229 N ALA A 19 -0.154 11.395 9.827 1.00 0.00 N ATOM 230 CA ALA A 19 1.213 11.330 9.334 1.00 0.00 C ATOM 231 C ALA A 19 1.671 9.909 9.015 1.00 0.00 C ATOM 232 O ALA A 19 2.606 9.746 8.242 1.00 0.00 O ATOM 233 CB ALA A 19 2.169 11.875 10.381 1.00 0.00 C ATOM 0 H ALA A 19 -0.233 11.755 10.778 1.00 0.00 H new ATOM 0 HA ALA A 19 1.225 11.920 8.417 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.190 11.823 10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.916 12.912 10.600 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.088 11.282 11.292 1.00 0.00 H new ATOM 239 N GLY A 20 1.090 8.871 9.619 1.00 0.00 N ATOM 240 CA GLY A 20 1.502 7.509 9.318 1.00 0.00 C ATOM 241 C GLY A 20 1.086 7.144 7.901 1.00 0.00 C ATOM 242 O GLY A 20 1.859 6.559 7.142 1.00 0.00 O ATOM 0 H GLY A 20 0.343 8.950 10.309 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.583 7.415 9.425 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.050 6.817 10.029 1.00 0.00 H new ATOM 246 N GLU A 21 -0.139 7.525 7.556 1.00 0.00 N ATOM 247 CA GLU A 21 -0.747 7.458 6.235 1.00 0.00 C ATOM 248 C GLU A 21 -0.031 8.384 5.273 1.00 0.00 C ATOM 249 O GLU A 21 0.380 7.916 4.220 1.00 0.00 O ATOM 250 CB GLU A 21 -2.230 7.790 6.407 1.00 0.00 C ATOM 251 CG GLU A 21 -3.055 8.602 5.424 1.00 0.00 C ATOM 252 CD GLU A 21 -4.403 8.903 6.096 1.00 0.00 C ATOM 253 OE1 GLU A 21 -4.910 8.075 6.904 1.00 0.00 O ATOM 254 OE2 GLU A 21 -4.874 10.047 5.934 1.00 0.00 O ATOM 0 H GLU A 21 -0.780 7.918 8.245 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.657 6.464 5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.742 6.833 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.314 8.302 7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.541 9.527 5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.203 8.048 4.497 1.00 0.00 H new ATOM 261 N VAL A 22 0.160 9.659 5.620 1.00 0.00 N ATOM 262 CA VAL A 22 0.788 10.613 4.719 1.00 0.00 C ATOM 263 C VAL A 22 2.198 10.143 4.392 1.00 0.00 C ATOM 264 O VAL A 22 2.563 10.055 3.226 1.00 0.00 O ATOM 265 CB VAL A 22 0.799 12.039 5.303 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.654 13.017 4.477 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.624 12.588 5.345 1.00 0.00 C ATOM 0 H VAL A 22 -0.114 10.050 6.522 1.00 0.00 H new ATOM 0 HA VAL A 22 0.200 10.659 3.802 1.00 0.00 H new ATOM 0 HB VAL A 22 1.231 11.961 6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.623 14.005 4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.684 12.663 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.260 13.077 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.613 13.596 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.034 12.614 4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.243 11.946 5.971 1.00 0.00 H new ATOM 277 N LYS A 23 2.997 9.810 5.407 1.00 0.00 N ATOM 278 CA LYS A 23 4.364 9.361 5.197 1.00 0.00 C ATOM 279 C LYS A 23 4.396 8.099 4.357 1.00 0.00 C ATOM 280 O LYS A 23 5.260 7.959 3.497 1.00 0.00 O ATOM 281 CB LYS A 23 5.025 9.130 6.556 1.00 0.00 C ATOM 282 CG LYS A 23 6.541 8.980 6.415 1.00 0.00 C ATOM 283 CD LYS A 23 6.971 7.509 6.390 1.00 0.00 C ATOM 284 CE LYS A 23 8.292 7.396 5.639 1.00 0.00 C ATOM 285 NZ LYS A 23 8.810 6.019 5.680 1.00 0.00 N ATOM 0 H LYS A 23 2.714 9.845 6.386 1.00 0.00 H new ATOM 0 HA LYS A 23 4.916 10.127 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.800 9.965 7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.610 8.234 7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.870 9.470 5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.035 9.488 7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.081 7.131 7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.208 6.901 5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.152 7.704 4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.022 8.076 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.710 5.971 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.965 5.736 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.122 5.376 5.239 1.00 0.00 H new ATOM 299 N ALA A 24 3.485 7.168 4.630 1.00 0.00 N ATOM 300 CA ALA A 24 3.363 5.961 3.824 1.00 0.00 C ATOM 301 C ALA A 24 3.034 6.324 2.369 1.00 0.00 C ATOM 302 O ALA A 24 3.693 5.838 1.456 1.00 0.00 O ATOM 303 CB ALA A 24 2.322 5.003 4.420 1.00 0.00 C ATOM 0 H ALA A 24 2.822 7.228 5.403 1.00 0.00 H new ATOM 0 HA ALA A 24 4.320 5.439 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.251 4.110 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.623 4.720 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.351 5.498 4.457 1.00 0.00 H new ATOM 309 N LEU A 25 2.049 7.187 2.124 1.00 0.00 N ATOM 310 CA LEU A 25 1.660 7.601 0.781 1.00 0.00 C ATOM 311 C LEU A 25 2.841 8.268 0.071 1.00 0.00 C ATOM 312 O LEU A 25 3.081 7.998 -1.104 1.00 0.00 O ATOM 313 CB LEU A 25 0.517 8.617 0.879 1.00 0.00 C ATOM 314 CG LEU A 25 0.009 9.079 -0.492 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.223 8.322 -0.985 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.273 10.560 -0.385 1.00 0.00 C ATOM 0 H LEU A 25 1.494 7.622 2.861 1.00 0.00 H new ATOM 0 HA LEU A 25 1.345 6.722 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.309 8.175 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.856 9.484 1.446 1.00 0.00 H new ATOM 0 HG LEU A 25 0.776 8.867 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.520 8.707 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.988 7.261 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.041 8.457 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.638 10.931 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.028 10.732 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.643 11.086 -0.117 1.00 0.00 H new ATOM 328 N ASP A 26 3.544 9.156 0.774 1.00 0.00 N ATOM 329 CA ASP A 26 4.694 9.914 0.298 1.00 0.00 C ATOM 330 C ASP A 26 5.778 8.970 -0.154 1.00 0.00 C ATOM 331 O ASP A 26 6.312 9.128 -1.253 1.00 0.00 O ATOM 332 CB ASP A 26 5.283 10.742 1.439 1.00 0.00 C ATOM 333 CG ASP A 26 6.438 11.620 0.981 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.207 12.590 0.222 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.570 11.441 1.483 1.00 0.00 O ATOM 0 H ASP A 26 3.311 9.375 1.743 1.00 0.00 H new ATOM 0 HA ASP A 26 4.360 10.553 -0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.502 11.369 1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.628 10.074 2.228 1.00 0.00 H new ATOM 340 N ASP A 27 6.100 8.019 0.726 1.00 0.00 N ATOM 341 CA ASP A 27 7.215 7.117 0.561 1.00 0.00 C ATOM 342 C ASP A 27 6.914 6.186 -0.610 1.00 0.00 C ATOM 343 O ASP A 27 7.762 5.980 -1.478 1.00 0.00 O ATOM 344 CB ASP A 27 7.466 6.304 1.844 1.00 0.00 C ATOM 345 CG ASP A 27 8.820 5.595 1.858 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.866 6.275 1.716 1.00 0.00 O ATOM 347 OD2 ASP A 27 8.889 4.392 2.195 1.00 0.00 O ATOM 0 H ASP A 27 5.575 7.861 1.586 1.00 0.00 H new ATOM 0 HA ASP A 27 8.119 7.692 0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.404 6.969 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.675 5.563 1.956 1.00 0.00 H new ATOM 352 N PHE A 28 5.660 5.711 -0.667 1.00 0.00 N ATOM 353 CA PHE A 28 5.119 4.941 -1.771 1.00 0.00 C ATOM 354 C PHE A 28 5.290 5.721 -3.066 1.00 0.00 C ATOM 355 O PHE A 28 5.922 5.229 -4.001 1.00 0.00 O ATOM 356 CB PHE A 28 3.649 4.558 -1.541 1.00 0.00 C ATOM 357 CG PHE A 28 3.043 3.833 -2.730 1.00 0.00 C ATOM 358 CD1 PHE A 28 2.556 4.558 -3.832 1.00 0.00 C ATOM 359 CD2 PHE A 28 2.987 2.431 -2.757 1.00 0.00 C ATOM 360 CE1 PHE A 28 1.965 3.902 -4.915 1.00 0.00 C ATOM 361 CE2 PHE A 28 2.431 1.775 -3.870 1.00 0.00 C ATOM 362 CZ PHE A 28 1.915 2.509 -4.949 1.00 0.00 C ATOM 0 H PHE A 28 4.984 5.863 0.081 1.00 0.00 H new ATOM 0 HA PHE A 28 5.674 4.006 -1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.576 3.924 -0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.070 5.459 -1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.640 5.635 -3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.370 1.858 -1.926 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.546 4.476 -5.728 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.401 0.696 -3.894 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.483 2.000 -5.798 1.00 0.00 H new ATOM 372 N TYR A 29 4.723 6.934 -3.130 1.00 0.00 N ATOM 373 CA TYR A 29 4.752 7.749 -4.334 1.00 0.00 C ATOM 374 C TYR A 29 6.167 7.997 -4.805 1.00 0.00 C ATOM 375 O TYR A 29 6.434 7.995 -5.997 1.00 0.00 O ATOM 376 CB TYR A 29 4.102 9.111 -4.091 1.00 0.00 C ATOM 377 CG TYR A 29 2.634 9.180 -4.397 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.117 8.523 -5.527 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.810 9.986 -3.600 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.777 8.683 -5.880 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.471 10.184 -3.978 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.057 9.536 -5.120 1.00 0.00 C ATOM 383 OH TYR A 29 -1.360 9.733 -5.451 1.00 0.00 O ATOM 0 H TYR A 29 4.235 7.369 -2.347 1.00 0.00 H new ATOM 0 HA TYR A 29 4.201 7.193 -5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.253 9.387 -3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.619 9.856 -4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.759 7.892 -6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.199 10.450 -2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.376 8.156 -6.733 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.160 10.836 -3.392 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.904 9.004 -5.086 1.00 0.00 H new ATOM 393 N LYS A 30 7.078 8.244 -3.872 1.00 0.00 N ATOM 394 CA LYS A 30 8.483 8.410 -4.198 1.00 0.00 C ATOM 395 C LYS A 30 8.990 7.240 -5.036 1.00 0.00 C ATOM 396 O LYS A 30 9.704 7.468 -6.003 1.00 0.00 O ATOM 397 CB LYS A 30 9.314 8.575 -2.920 1.00 0.00 C ATOM 398 CG LYS A 30 10.334 9.688 -3.162 1.00 0.00 C ATOM 399 CD LYS A 30 11.441 9.750 -2.101 1.00 0.00 C ATOM 400 CE LYS A 30 12.666 8.916 -2.501 1.00 0.00 C ATOM 401 NZ LYS A 30 12.367 7.482 -2.703 1.00 0.00 N ATOM 0 H LYS A 30 6.864 8.334 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 30 8.593 9.316 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.671 8.824 -2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.819 7.642 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.789 9.545 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.814 10.646 -3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.741 10.787 -1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.052 9.389 -1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.088 9.323 -3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.429 9.014 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.253 6.963 -2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.898 7.102 -1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.740 7.371 -3.525 1.00 0.00 H new ATOM 415 N MET A 31 8.652 6.002 -4.690 1.00 0.00 N ATOM 416 CA MET A 31 9.064 4.872 -5.513 1.00 0.00 C ATOM 417 C MET A 31 8.209 4.829 -6.777 1.00 0.00 C ATOM 418 O MET A 31 8.737 4.529 -7.831 1.00 0.00 O ATOM 419 CB MET A 31 8.967 3.541 -4.771 1.00 0.00 C ATOM 420 CG MET A 31 9.399 3.590 -3.309 1.00 0.00 C ATOM 421 SD MET A 31 10.789 2.522 -2.861 1.00 0.00 S ATOM 422 CE MET A 31 9.908 1.484 -1.682 1.00 0.00 C ATOM 0 H MET A 31 8.106 5.759 -3.864 1.00 0.00 H new ATOM 0 HA MET A 31 10.113 5.016 -5.771 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.937 3.189 -4.819 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.580 2.805 -5.292 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.662 4.619 -3.062 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.544 3.321 -2.688 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.533 0.634 -1.407 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.673 2.065 -0.790 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.984 1.124 -2.134 1.00 0.00 H new ATOM 432 N LEU A 32 6.922 5.183 -6.717 1.00 0.00 N ATOM 433 CA LEU A 32 6.051 5.253 -7.890 1.00 0.00 C ATOM 434 C LEU A 32 6.639 6.147 -8.998 1.00 0.00 C ATOM 435 O LEU A 32 6.460 5.859 -10.181 1.00 0.00 O ATOM 436 CB LEU A 32 4.648 5.727 -7.463 1.00 0.00 C ATOM 437 CG LEU A 32 3.556 5.334 -8.462 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.219 3.853 -8.349 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.261 6.103 -8.182 1.00 0.00 C ATOM 0 H LEU A 32 6.453 5.431 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 32 5.971 4.254 -8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.409 5.305 -6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.656 6.811 -7.349 1.00 0.00 H new ATOM 0 HG LEU A 32 3.942 5.567 -9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.441 3.601 -9.069 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.110 3.260 -8.555 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.864 3.636 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.499 5.808 -8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.913 5.876 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.448 7.173 -8.269 1.00 0.00 H new ATOM 451 N GLN A 33 7.360 7.204 -8.607 1.00 0.00 N ATOM 452 CA GLN A 33 8.155 8.066 -9.474 1.00 0.00 C ATOM 453 C GLN A 33 9.399 7.322 -9.987 1.00 0.00 C ATOM 454 O GLN A 33 9.637 7.272 -11.196 1.00 0.00 O ATOM 455 CB GLN A 33 8.604 9.325 -8.695 1.00 0.00 C ATOM 456 CG GLN A 33 7.482 10.194 -8.086 1.00 0.00 C ATOM 457 CD GLN A 33 7.019 11.380 -8.930 1.00 0.00 C ATOM 458 OE1 GLN A 33 7.758 11.951 -9.727 1.00 0.00 O ATOM 459 NE2 GLN A 33 5.784 11.817 -8.740 1.00 0.00 N ATOM 0 H GLN A 33 7.404 7.491 -7.629 1.00 0.00 H new ATOM 0 HA GLN A 33 7.538 8.357 -10.325 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.267 9.009 -7.889 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.193 9.950 -9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.621 9.555 -7.890 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.825 10.571 -7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.171 11.342 -8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.445 12.629 -9.256 1.00 0.00 H new ATOM 468 N HIS A 34 10.217 6.822 -9.052 1.00 0.00 N ATOM 469 CA HIS A 34 11.612 6.454 -9.260 1.00 0.00 C ATOM 470 C HIS A 34 11.807 4.973 -9.593 1.00 0.00 C ATOM 471 O HIS A 34 12.514 4.628 -10.538 1.00 0.00 O ATOM 472 CB HIS A 34 12.388 6.780 -7.973 1.00 0.00 C ATOM 473 CG HIS A 34 12.434 8.248 -7.602 1.00 0.00 C ATOM 474 ND1 HIS A 34 12.489 9.325 -8.459 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.326 8.753 -6.336 1.00 0.00 C ATOM 476 CE1 HIS A 34 12.411 10.443 -7.719 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.351 10.148 -6.409 1.00 0.00 N ATOM 0 H HIS A 34 9.907 6.659 -8.094 1.00 0.00 H new ATOM 0 HA HIS A 34 11.977 7.020 -10.117 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.940 6.227 -7.148 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.410 6.417 -8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 34 12.236 8.171 -5.431 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.398 11.445 -8.122 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.328 10.806 -5.630 1.00 0.00 H new ATOM 485 N GLU A 35 11.270 4.081 -8.769 1.00 0.00 N ATOM 486 CA GLU A 35 11.439 2.639 -8.852 1.00 0.00 C ATOM 487 C GLU A 35 10.072 1.997 -8.578 1.00 0.00 C ATOM 488 O GLU A 35 9.851 1.426 -7.506 1.00 0.00 O ATOM 489 CB GLU A 35 12.612 2.182 -7.953 1.00 0.00 C ATOM 490 CG GLU A 35 12.530 2.575 -6.465 1.00 0.00 C ATOM 491 CD GLU A 35 13.909 2.642 -5.795 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.595 3.687 -5.904 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.286 1.707 -5.050 1.00 0.00 O ATOM 0 H GLU A 35 10.676 4.359 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 35 11.741 2.302 -9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.687 1.096 -8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.536 2.590 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.039 3.544 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.908 1.853 -5.936 1.00 0.00 H new ATOM 500 N PRO A 36 9.114 2.105 -9.525 1.00 0.00 N ATOM 501 CA PRO A 36 7.737 1.662 -9.313 1.00 0.00 C ATOM 502 C PRO A 36 7.632 0.148 -9.125 1.00 0.00 C ATOM 503 O PRO A 36 6.611 -0.359 -8.668 1.00 0.00 O ATOM 504 CB PRO A 36 6.945 2.153 -10.526 1.00 0.00 C ATOM 505 CG PRO A 36 8.002 2.308 -11.617 1.00 0.00 C ATOM 506 CD PRO A 36 9.235 2.743 -10.830 1.00 0.00 C ATOM 0 HA PRO A 36 7.334 2.077 -8.389 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.174 1.439 -10.815 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.443 3.098 -10.319 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.172 1.374 -12.152 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.712 3.052 -12.359 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.151 2.434 -11.334 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.275 3.828 -10.733 1.00 0.00 H new ATOM 514 N ASP A 37 8.709 -0.580 -9.386 1.00 0.00 N ATOM 515 CA ASP A 37 8.935 -1.977 -9.043 1.00 0.00 C ATOM 516 C ASP A 37 8.730 -2.229 -7.551 1.00 0.00 C ATOM 517 O ASP A 37 8.436 -3.356 -7.153 1.00 0.00 O ATOM 518 CB ASP A 37 10.377 -2.344 -9.415 1.00 0.00 C ATOM 519 CG ASP A 37 10.724 -1.857 -10.813 1.00 0.00 C ATOM 520 OD1 ASP A 37 10.470 -2.598 -11.788 1.00 0.00 O ATOM 521 OD2 ASP A 37 11.188 -0.699 -10.930 1.00 0.00 O ATOM 0 H ASP A 37 9.507 -0.179 -9.880 1.00 0.00 H new ATOM 0 HA ASP A 37 8.219 -2.588 -9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.065 -1.905 -8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.506 -3.425 -9.361 1.00 0.00 H new ATOM 526 N ARG A 38 8.874 -1.192 -6.713 1.00 0.00 N ATOM 527 CA ARG A 38 8.661 -1.260 -5.276 1.00 0.00 C ATOM 528 C ARG A 38 7.341 -0.616 -4.861 1.00 0.00 C ATOM 529 O ARG A 38 7.133 -0.405 -3.668 1.00 0.00 O ATOM 530 CB ARG A 38 9.859 -0.646 -4.531 1.00 0.00 C ATOM 531 CG ARG A 38 11.130 -1.475 -4.772 1.00 0.00 C ATOM 532 CD ARG A 38 12.389 -0.925 -4.110 1.00 0.00 C ATOM 533 NE ARG A 38 12.287 -0.768 -2.649 1.00 0.00 N ATOM 534 CZ ARG A 38 13.181 -0.079 -1.925 1.00 0.00 C ATOM 535 NH1 ARG A 38 14.208 0.533 -2.508 1.00 0.00 N ATOM 536 NH2 ARG A 38 13.052 0.014 -0.608 1.00 0.00 N ATOM 0 H ARG A 38 9.149 -0.263 -7.033 1.00 0.00 H new ATOM 0 HA ARG A 38 8.588 -2.311 -4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.017 0.378 -4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.645 -0.601 -3.463 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.959 -2.489 -4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.303 -1.545 -5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.223 -1.589 -4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.624 0.043 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 38 11.501 -1.203 -2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.324 0.482 -3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.879 1.053 -1.943 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.269 -0.440 -0.139 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.736 0.540 -0.064 1.00 0.00 H new ATOM 550 N ALA A 39 6.447 -0.278 -5.790 1.00 0.00 N ATOM 551 CA ALA A 39 5.194 0.406 -5.515 1.00 0.00 C ATOM 552 C ALA A 39 4.074 -0.298 -6.292 1.00 0.00 C ATOM 553 O ALA A 39 3.884 -0.084 -7.493 1.00 0.00 O ATOM 554 CB ALA A 39 5.360 1.894 -5.867 1.00 0.00 C ATOM 0 H ALA A 39 6.583 -0.480 -6.780 1.00 0.00 H new ATOM 0 HA ALA A 39 4.921 0.363 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.428 2.422 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.158 2.324 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.612 1.992 -6.923 1.00 0.00 H new ATOM 560 N PHE A 40 3.357 -1.200 -5.620 1.00 0.00 N ATOM 561 CA PHE A 40 2.271 -1.984 -6.209 1.00 0.00 C ATOM 562 C PHE A 40 0.949 -1.269 -5.950 1.00 0.00 C ATOM 563 O PHE A 40 0.703 -0.889 -4.803 1.00 0.00 O ATOM 564 CB PHE A 40 2.234 -3.378 -5.567 1.00 0.00 C ATOM 565 CG PHE A 40 3.016 -4.425 -6.331 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.165 -4.079 -7.057 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.577 -5.760 -6.323 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.818 -5.051 -7.820 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.252 -6.766 -7.045 1.00 0.00 C ATOM 570 CZ PHE A 40 4.367 -6.384 -7.813 1.00 0.00 C ATOM 0 H PHE A 40 3.518 -1.410 -4.635 1.00 0.00 H new ATOM 0 HA PHE A 40 2.432 -2.089 -7.282 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.629 -3.311 -4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.197 -3.702 -5.484 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.543 -3.068 -7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.700 -6.022 -5.749 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.674 -4.777 -8.419 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.924 -7.794 -7.010 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.884 -7.124 -8.406 1.00 0.00 H new ATOM 580 N TYR A 41 0.075 -1.112 -6.952 1.00 0.00 N ATOM 581 CA TYR A 41 -1.283 -0.642 -6.693 1.00 0.00 C ATOM 582 C TYR A 41 -2.364 -1.341 -7.508 1.00 0.00 C ATOM 583 O TYR A 41 -2.130 -1.931 -8.564 1.00 0.00 O ATOM 584 CB TYR A 41 -1.378 0.871 -6.860 1.00 0.00 C ATOM 585 CG TYR A 41 -1.220 1.372 -8.282 1.00 0.00 C ATOM 586 CD1 TYR A 41 0.067 1.605 -8.798 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.353 1.626 -9.082 1.00 0.00 C ATOM 588 CE1 TYR A 41 0.217 2.129 -10.090 1.00 0.00 C ATOM 589 CE2 TYR A 41 -2.206 2.171 -10.372 1.00 0.00 C ATOM 590 CZ TYR A 41 -0.913 2.441 -10.876 1.00 0.00 C ATOM 591 OH TYR A 41 -0.726 3.030 -12.089 1.00 0.00 O ATOM 0 H TYR A 41 0.283 -1.301 -7.933 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.483 -0.909 -5.655 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.344 1.203 -6.479 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.613 1.338 -6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.938 1.381 -8.200 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.339 1.401 -8.703 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.207 2.296 -10.488 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.078 2.382 -10.974 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.595 3.184 -12.515 1.00 0.00 H new ATOM 601 N GLY A 42 -3.588 -1.222 -7.005 1.00 0.00 N ATOM 602 CA GLY A 42 -4.725 -1.997 -7.435 1.00 0.00 C ATOM 603 C GLY A 42 -4.633 -3.397 -6.855 1.00 0.00 C ATOM 604 O GLY A 42 -3.571 -4.019 -6.894 1.00 0.00 O ATOM 0 H GLY A 42 -3.814 -0.559 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.649 -1.518 -7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.755 -2.044 -8.524 1.00 0.00 H new ATOM 608 N LEU A 43 -5.759 -3.873 -6.313 1.00 0.00 N ATOM 609 CA LEU A 43 -5.884 -5.083 -5.502 1.00 0.00 C ATOM 610 C LEU A 43 -5.028 -6.222 -6.056 1.00 0.00 C ATOM 611 O LEU A 43 -4.187 -6.760 -5.347 1.00 0.00 O ATOM 612 CB LEU A 43 -7.375 -5.469 -5.435 1.00 0.00 C ATOM 613 CG LEU A 43 -7.656 -6.804 -4.716 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.408 -6.717 -3.209 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.105 -7.235 -4.960 1.00 0.00 C ATOM 0 H LEU A 43 -6.653 -3.398 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.513 -4.890 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.921 -4.674 -4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.769 -5.527 -6.450 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.965 -7.540 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.620 -7.682 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.367 -6.449 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.060 -5.958 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.295 -8.179 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.781 -6.472 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.272 -7.362 -6.030 1.00 0.00 H new ATOM 627 N LYS A 44 -5.196 -6.526 -7.343 1.00 0.00 N ATOM 628 CA LYS A 44 -4.534 -7.602 -8.048 1.00 0.00 C ATOM 629 C LYS A 44 -3.012 -7.520 -7.919 1.00 0.00 C ATOM 630 O LYS A 44 -2.382 -8.558 -7.719 1.00 0.00 O ATOM 631 CB LYS A 44 -5.038 -7.530 -9.502 1.00 0.00 C ATOM 632 CG LYS A 44 -4.024 -8.065 -10.505 1.00 0.00 C ATOM 633 CD LYS A 44 -4.521 -8.033 -11.947 1.00 0.00 C ATOM 634 CE LYS A 44 -4.671 -6.603 -12.485 1.00 0.00 C ATOM 635 NZ LYS A 44 -4.464 -6.537 -13.947 1.00 0.00 N ATOM 0 H LYS A 44 -5.830 -5.998 -7.943 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.776 -8.574 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.964 -8.099 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.275 -6.495 -9.749 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.108 -7.479 -10.432 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.768 -9.091 -10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.826 -8.585 -12.580 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.482 -8.544 -12.008 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.665 -6.227 -12.242 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.953 -5.951 -11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.574 -5.554 -14.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.507 -6.872 -14.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.165 -7.138 -14.424 1.00 0.00 H new ATOM 649 N GLN A 45 -2.400 -6.344 -8.102 1.00 0.00 N ATOM 650 CA GLN A 45 -0.959 -6.228 -7.946 1.00 0.00 C ATOM 651 C GLN A 45 -0.634 -6.578 -6.505 1.00 0.00 C ATOM 652 O GLN A 45 0.109 -7.512 -6.247 1.00 0.00 O ATOM 653 CB GLN A 45 -0.436 -4.824 -8.267 1.00 0.00 C ATOM 654 CG GLN A 45 -0.574 -4.421 -9.736 1.00 0.00 C ATOM 655 CD GLN A 45 0.153 -3.096 -10.018 1.00 0.00 C ATOM 656 OE1 GLN A 45 1.021 -2.655 -9.264 1.00 0.00 O ATOM 657 NE2 GLN A 45 -0.180 -2.419 -11.101 1.00 0.00 N ATOM 0 H GLN A 45 -2.876 -5.478 -8.354 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.474 -6.903 -8.651 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.971 -4.100 -7.652 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.615 -4.767 -7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.165 -5.206 -10.372 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.629 -4.322 -9.991 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.898 -2.781 -11.728 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.281 -1.534 -11.311 1.00 0.00 H new ATOM 666 N VAL A 46 -1.185 -5.832 -5.559 1.00 0.00 N ATOM 667 CA VAL A 46 -0.910 -5.964 -4.143 1.00 0.00 C ATOM 668 C VAL A 46 -1.049 -7.417 -3.653 1.00 0.00 C ATOM 669 O VAL A 46 -0.202 -7.860 -2.883 1.00 0.00 O ATOM 670 CB VAL A 46 -1.795 -4.987 -3.354 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.236 -4.907 -1.942 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.814 -3.553 -3.911 1.00 0.00 C ATOM 0 H VAL A 46 -1.858 -5.094 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 46 0.133 -5.700 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.814 -5.369 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.841 -4.220 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.258 -5.896 -1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.208 -4.547 -1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.463 -2.932 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.803 -3.145 -3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.189 -3.565 -4.934 1.00 0.00 H new ATOM 682 N GLU A 47 -2.040 -8.176 -4.126 1.00 0.00 N ATOM 683 CA GLU A 47 -2.206 -9.598 -3.825 1.00 0.00 C ATOM 684 C GLU A 47 -0.937 -10.399 -4.167 1.00 0.00 C ATOM 685 O GLU A 47 -0.500 -11.252 -3.398 1.00 0.00 O ATOM 686 CB GLU A 47 -3.449 -10.121 -4.577 1.00 0.00 C ATOM 687 CG GLU A 47 -4.737 -9.747 -3.823 1.00 0.00 C ATOM 688 CD GLU A 47 -5.988 -10.413 -4.412 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.466 -9.985 -5.488 1.00 0.00 O ATOM 690 OE2 GLU A 47 -6.524 -11.335 -3.749 1.00 0.00 O ATOM 0 H GLU A 47 -2.765 -7.810 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.362 -9.730 -2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.475 -9.701 -5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.386 -11.204 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.636 -10.035 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.863 -8.665 -3.844 1.00 0.00 H new ATOM 697 N LYS A 48 -0.274 -10.073 -5.276 1.00 0.00 N ATOM 698 CA LYS A 48 0.960 -10.697 -5.717 1.00 0.00 C ATOM 699 C LYS A 48 2.100 -10.333 -4.790 1.00 0.00 C ATOM 700 O LYS A 48 2.836 -11.200 -4.323 1.00 0.00 O ATOM 701 CB LYS A 48 1.215 -10.234 -7.160 1.00 0.00 C ATOM 702 CG LYS A 48 2.420 -10.913 -7.761 1.00 0.00 C ATOM 703 CD LYS A 48 3.808 -10.289 -7.724 1.00 0.00 C ATOM 704 CE LYS A 48 4.854 -11.291 -8.250 1.00 0.00 C ATOM 705 NZ LYS A 48 4.836 -11.463 -9.720 1.00 0.00 N ATOM 0 H LYS A 48 -0.597 -9.342 -5.909 1.00 0.00 H new ATOM 0 HA LYS A 48 0.883 -11.784 -5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.337 -10.445 -7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.361 -9.154 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.502 -11.888 -7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.186 -11.094 -8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.824 -9.383 -8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.056 -9.995 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.846 -10.958 -7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.684 -12.259 -7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.565 -12.150 -9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.902 -11.810 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.028 -10.550 -10.179 1.00 0.00 H new ATOM 719 N ALA A 49 2.289 -9.039 -4.574 1.00 0.00 N ATOM 720 CA ALA A 49 3.305 -8.557 -3.645 1.00 0.00 C ATOM 721 C ALA A 49 3.149 -9.135 -2.239 1.00 0.00 C ATOM 722 O ALA A 49 4.153 -9.355 -1.555 1.00 0.00 O ATOM 723 CB ALA A 49 3.267 -7.042 -3.510 1.00 0.00 C ATOM 0 H ALA A 49 1.752 -8.302 -5.030 1.00 0.00 H new ATOM 0 HA ALA A 49 4.252 -8.887 -4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.038 -6.720 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.447 -6.585 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.289 -6.734 -3.140 1.00 0.00 H new ATOM 729 N ASN A 50 1.911 -9.332 -1.786 1.00 0.00 N ATOM 730 CA ASN A 50 1.638 -9.955 -0.505 1.00 0.00 C ATOM 731 C ASN A 50 2.253 -11.345 -0.484 1.00 0.00 C ATOM 732 O ASN A 50 2.966 -11.667 0.462 1.00 0.00 O ATOM 733 CB ASN A 50 0.134 -10.019 -0.216 1.00 0.00 C ATOM 734 CG ASN A 50 -0.107 -10.948 0.958 1.00 0.00 C ATOM 735 OD1 ASN A 50 -0.476 -12.108 0.785 1.00 0.00 O ATOM 736 ND2 ASN A 50 0.125 -10.452 2.156 1.00 0.00 N ATOM 0 H ASN A 50 1.074 -9.062 -2.302 1.00 0.00 H new ATOM 0 HA ASN A 50 2.086 -9.347 0.281 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.248 -9.023 0.008 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.403 -10.377 -1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.000 -11.036 2.983 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.430 -9.484 2.257 1.00 0.00 H new ATOM 743 N GLU A 51 2.040 -12.132 -1.537 1.00 0.00 N ATOM 744 CA GLU A 51 2.623 -13.461 -1.657 1.00 0.00 C ATOM 745 C GLU A 51 4.150 -13.435 -1.701 1.00 0.00 C ATOM 746 O GLU A 51 4.799 -14.325 -1.149 1.00 0.00 O ATOM 747 CB GLU A 51 2.074 -14.155 -2.905 1.00 0.00 C ATOM 748 CG GLU A 51 0.632 -14.596 -2.668 1.00 0.00 C ATOM 749 CD GLU A 51 0.234 -15.685 -3.653 1.00 0.00 C ATOM 750 OE1 GLU A 51 0.059 -15.358 -4.852 1.00 0.00 O ATOM 751 OE2 GLU A 51 0.106 -16.855 -3.228 1.00 0.00 O ATOM 0 H GLU A 51 1.457 -11.863 -2.330 1.00 0.00 H new ATOM 0 HA GLU A 51 2.341 -14.019 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.120 -13.477 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.691 -15.019 -3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.522 -14.964 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.037 -13.742 -2.773 1.00 0.00 H new ATOM 758 N ALA A 52 4.730 -12.395 -2.298 1.00 0.00 N ATOM 759 CA ALA A 52 6.174 -12.179 -2.301 1.00 0.00 C ATOM 760 C ALA A 52 6.687 -11.773 -0.920 1.00 0.00 C ATOM 761 O ALA A 52 7.899 -11.715 -0.721 1.00 0.00 O ATOM 762 CB ALA A 52 6.549 -11.103 -3.331 1.00 0.00 C ATOM 0 H ALA A 52 4.207 -11.675 -2.796 1.00 0.00 H new ATOM 0 HA ALA A 52 6.646 -13.123 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.628 -10.952 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.235 -11.425 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.050 -10.168 -3.078 1.00 0.00 H new ATOM 768 N MET A 53 5.779 -11.488 0.019 1.00 0.00 N ATOM 769 CA MET A 53 6.024 -10.997 1.373 1.00 0.00 C ATOM 770 C MET A 53 6.854 -9.718 1.371 1.00 0.00 C ATOM 771 O MET A 53 7.574 -9.386 2.314 1.00 0.00 O ATOM 772 CB MET A 53 6.648 -12.094 2.229 1.00 0.00 C ATOM 773 CG MET A 53 5.767 -13.341 2.171 1.00 0.00 C ATOM 774 SD MET A 53 6.202 -14.672 3.294 1.00 0.00 S ATOM 775 CE MET A 53 5.139 -15.899 2.505 1.00 0.00 C ATOM 0 H MET A 53 4.782 -11.604 -0.164 1.00 0.00 H new ATOM 0 HA MET A 53 5.066 -10.733 1.820 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.651 -12.326 1.870 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.750 -11.754 3.260 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.738 -13.043 2.375 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.791 -13.730 1.153 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.228 -16.850 3.031 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.104 -15.560 2.541 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.443 -16.029 1.466 1.00 0.00 H new ATOM 785 N ALA A 54 6.780 -9.010 0.252 1.00 0.00 N ATOM 786 CA ALA A 54 7.582 -7.838 0.004 1.00 0.00 C ATOM 787 C ALA A 54 6.932 -6.605 0.604 1.00 0.00 C ATOM 788 O ALA A 54 7.590 -5.577 0.666 1.00 0.00 O ATOM 789 CB ALA A 54 7.724 -7.691 -1.503 1.00 0.00 C ATOM 0 H ALA A 54 6.149 -9.244 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 54 8.562 -7.944 0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.327 -6.811 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.210 -8.578 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.737 -7.579 -1.952 1.00 0.00 H new ATOM 795 N ILE A 55 5.660 -6.678 0.994 1.00 0.00 N ATOM 796 CA ILE A 55 4.889 -5.559 1.499 1.00 0.00 C ATOM 797 C ILE A 55 5.476 -5.113 2.836 1.00 0.00 C ATOM 798 O ILE A 55 5.309 -5.782 3.851 1.00 0.00 O ATOM 799 CB ILE A 55 3.389 -5.921 1.521 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.938 -5.959 0.049 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.559 -4.935 2.363 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.458 -6.217 -0.185 1.00 0.00 C ATOM 0 H ILE A 55 5.128 -7.548 0.964 1.00 0.00 H new ATOM 0 HA ILE A 55 4.957 -4.692 0.842 1.00 0.00 H new ATOM 0 HB ILE A 55 3.230 -6.886 2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.199 -5.008 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.508 -6.733 -0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.511 -5.234 2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.921 -4.940 3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.656 -3.931 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.254 -6.222 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.185 -7.182 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.872 -5.431 0.292 1.00 0.00 H new ATOM 814 N ASP A 56 6.150 -3.967 2.814 1.00 0.00 N ATOM 815 CA ASP A 56 6.548 -3.245 4.014 1.00 0.00 C ATOM 816 C ASP A 56 5.311 -2.609 4.628 1.00 0.00 C ATOM 817 O ASP A 56 4.994 -2.854 5.786 1.00 0.00 O ATOM 818 CB ASP A 56 7.555 -2.134 3.702 1.00 0.00 C ATOM 819 CG ASP A 56 7.674 -1.209 4.915 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.113 -1.686 5.986 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.285 -0.024 4.782 1.00 0.00 O ATOM 0 H ASP A 56 6.438 -3.509 1.949 1.00 0.00 H new ATOM 0 HA ASP A 56 7.018 -3.953 4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.527 -2.565 3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.232 -1.568 2.828 1.00 0.00 H new ATOM 826 N THR A 57 4.613 -1.784 3.850 1.00 0.00 N ATOM 827 CA THR A 57 3.479 -1.007 4.307 1.00 0.00 C ATOM 828 C THR A 57 2.387 -1.144 3.248 1.00 0.00 C ATOM 829 O THR A 57 2.648 -0.952 2.067 1.00 0.00 O ATOM 830 CB THR A 57 3.914 0.455 4.539 1.00 0.00 C ATOM 831 OG1 THR A 57 4.885 0.592 5.562 1.00 0.00 O ATOM 832 CG2 THR A 57 2.748 1.286 5.055 1.00 0.00 C ATOM 0 H THR A 57 4.831 -1.639 2.864 1.00 0.00 H new ATOM 0 HA THR A 57 3.090 -1.364 5.261 1.00 0.00 H new ATOM 0 HB THR A 57 4.299 0.779 3.572 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.780 0.614 5.163 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.075 2.314 5.212 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.939 1.270 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.394 0.870 5.998 1.00 0.00 H new ATOM 840 N LEU A 58 1.159 -1.452 3.656 1.00 0.00 N ATOM 841 CA LEU A 58 -0.025 -1.615 2.820 1.00 0.00 C ATOM 842 C LEU A 58 -0.932 -0.431 3.119 1.00 0.00 C ATOM 843 O LEU A 58 -1.141 -0.129 4.291 1.00 0.00 O ATOM 844 CB LEU A 58 -0.697 -2.932 3.231 1.00 0.00 C ATOM 845 CG LEU A 58 -2.099 -3.183 2.644 1.00 0.00 C ATOM 846 CD1 LEU A 58 -1.991 -3.870 1.288 1.00 0.00 C ATOM 847 CD2 LEU A 58 -2.916 -4.063 3.583 1.00 0.00 C ATOM 0 H LEU A 58 0.952 -1.604 4.643 1.00 0.00 H new ATOM 0 HA LEU A 58 0.203 -1.648 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.048 -3.756 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.770 -2.957 4.318 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.595 -2.220 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.990 -4.041 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.428 -3.236 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.478 -4.825 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.904 -4.232 3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.410 -5.019 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.018 -3.568 4.549 1.00 0.00 H new ATOM 859 N LEU A 59 -1.448 0.240 2.088 1.00 0.00 N ATOM 860 CA LEU A 59 -2.268 1.441 2.200 1.00 0.00 C ATOM 861 C LEU A 59 -3.612 1.131 1.557 1.00 0.00 C ATOM 862 O LEU A 59 -3.625 0.795 0.375 1.00 0.00 O ATOM 863 CB LEU A 59 -1.628 2.696 1.563 1.00 0.00 C ATOM 864 CG LEU A 59 -0.214 2.620 0.968 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.119 3.922 0.238 1.00 0.00 C ATOM 866 CD2 LEU A 59 0.890 2.421 2.006 1.00 0.00 C ATOM 0 H LEU A 59 -1.300 -0.050 1.121 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.376 1.691 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.296 3.033 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.618 3.476 2.324 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.236 1.754 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.124 3.858 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.599 4.082 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.070 4.755 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.857 2.378 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.883 3.254 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.719 1.489 2.545 1.00 0.00 H new ATOM 878 N ILE A 60 -4.723 1.190 2.290 1.00 0.00 N ATOM 879 CA ILE A 60 -6.046 0.924 1.729 1.00 0.00 C ATOM 880 C ILE A 60 -7.029 1.973 2.241 1.00 0.00 C ATOM 881 O ILE A 60 -6.993 2.320 3.424 1.00 0.00 O ATOM 882 CB ILE A 60 -6.476 -0.522 2.062 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.681 -0.883 1.187 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.798 -0.751 3.551 1.00 0.00 C ATOM 885 CD1 ILE A 60 -7.977 -2.376 1.173 1.00 0.00 C ATOM 0 H ILE A 60 -4.732 1.422 3.283 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.026 1.001 0.642 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.629 -1.174 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.559 -0.347 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.498 -0.545 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.092 -1.789 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.916 -0.531 4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.615 -0.095 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.841 -2.570 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.112 -2.915 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.190 -2.714 2.187 1.00 0.00 H new ATOM 897 N SER A 61 -7.922 2.443 1.373 1.00 0.00 N ATOM 898 CA SER A 61 -9.022 3.318 1.734 1.00 0.00 C ATOM 899 C SER A 61 -9.927 2.567 2.706 1.00 0.00 C ATOM 900 O SER A 61 -10.288 1.411 2.450 1.00 0.00 O ATOM 901 CB SER A 61 -9.790 3.727 0.467 1.00 0.00 C ATOM 902 OG SER A 61 -10.284 5.046 0.595 1.00 0.00 O ATOM 0 H SER A 61 -7.896 2.218 0.378 1.00 0.00 H new ATOM 0 HA SER A 61 -8.655 4.226 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.134 3.660 -0.401 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.616 3.037 0.296 1.00 0.00 H new ATOM 0 HG SER A 61 -10.952 5.214 -0.102 1.00 0.00 H new ATOM 908 N ASP A 62 -10.325 3.205 3.809 1.00 0.00 N ATOM 909 CA ASP A 62 -11.248 2.590 4.755 1.00 0.00 C ATOM 910 C ASP A 62 -12.551 2.208 4.051 1.00 0.00 C ATOM 911 O ASP A 62 -13.031 1.105 4.255 1.00 0.00 O ATOM 912 CB ASP A 62 -11.473 3.443 6.010 1.00 0.00 C ATOM 913 CG ASP A 62 -12.489 4.571 5.853 1.00 0.00 C ATOM 914 OD1 ASP A 62 -13.704 4.279 5.791 1.00 0.00 O ATOM 915 OD2 ASP A 62 -12.124 5.754 6.009 1.00 0.00 O ATOM 0 H ASP A 62 -10.021 4.144 4.065 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.788 1.673 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.800 2.791 6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.519 3.874 6.313 1.00 0.00 H new ATOM 920 N GLU A 63 -13.064 3.012 3.123 1.00 0.00 N ATOM 921 CA GLU A 63 -14.257 2.685 2.328 1.00 0.00 C ATOM 922 C GLU A 63 -14.137 1.368 1.530 1.00 0.00 C ATOM 923 O GLU A 63 -15.157 0.778 1.175 1.00 0.00 O ATOM 924 CB GLU A 63 -14.577 3.857 1.381 1.00 0.00 C ATOM 925 CG GLU A 63 -13.312 4.329 0.658 1.00 0.00 C ATOM 926 CD GLU A 63 -13.487 5.376 -0.432 1.00 0.00 C ATOM 927 OE1 GLU A 63 -14.609 5.632 -0.929 1.00 0.00 O ATOM 928 OE2 GLU A 63 -12.434 5.882 -0.881 1.00 0.00 O ATOM 0 H GLU A 63 -12.662 3.921 2.895 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.072 2.529 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.325 3.548 0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.007 4.682 1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.625 4.729 1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.830 3.457 0.216 1.00 0.00 H new ATOM 935 N LEU A 64 -12.920 0.871 1.273 1.00 0.00 N ATOM 936 CA LEU A 64 -12.687 -0.450 0.690 1.00 0.00 C ATOM 937 C LEU A 64 -12.581 -1.489 1.807 1.00 0.00 C ATOM 938 O LEU A 64 -13.193 -2.554 1.736 1.00 0.00 O ATOM 939 CB LEU A 64 -11.408 -0.460 -0.160 1.00 0.00 C ATOM 940 CG LEU A 64 -11.376 0.522 -1.343 1.00 0.00 C ATOM 941 CD1 LEU A 64 -10.093 0.277 -2.134 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.571 0.423 -2.293 1.00 0.00 C ATOM 0 H LEU A 64 -12.061 1.385 1.468 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.526 -0.695 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.561 -0.241 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.261 -1.468 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.420 1.523 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.050 0.964 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.230 0.441 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.082 -0.750 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.460 1.153 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.615 -0.579 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.490 0.624 -1.743 1.00 0.00 H new ATOM 954 N PHE A 65 -11.858 -1.170 2.883 1.00 0.00 N ATOM 955 CA PHE A 65 -11.791 -1.983 4.096 1.00 0.00 C ATOM 956 C PHE A 65 -13.187 -2.356 4.622 1.00 0.00 C ATOM 957 O PHE A 65 -13.374 -3.427 5.206 1.00 0.00 O ATOM 958 CB PHE A 65 -11.009 -1.185 5.152 1.00 0.00 C ATOM 959 CG PHE A 65 -10.562 -1.940 6.383 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.909 -3.182 6.274 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.803 -1.375 7.650 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.562 -3.892 7.439 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.429 -2.075 8.811 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.822 -3.339 8.706 1.00 0.00 C ATOM 0 H PHE A 65 -11.292 -0.323 2.935 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.288 -2.924 3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.126 -0.762 4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.629 -0.348 5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.675 -3.588 5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.274 -0.406 7.730 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.095 -4.863 7.360 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.608 -1.641 9.784 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.555 -3.886 9.599 1.00 0.00 H new ATOM 974 N ARG A 66 -14.180 -1.491 4.415 1.00 0.00 N ATOM 975 CA ARG A 66 -15.573 -1.648 4.792 1.00 0.00 C ATOM 976 C ARG A 66 -16.442 -1.437 3.541 1.00 0.00 C ATOM 977 O ARG A 66 -17.419 -0.689 3.563 1.00 0.00 O ATOM 978 CB ARG A 66 -15.895 -0.780 6.029 1.00 0.00 C ATOM 979 CG ARG A 66 -14.914 0.348 6.361 1.00 0.00 C ATOM 980 CD ARG A 66 -15.301 1.102 7.622 1.00 0.00 C ATOM 981 NE ARG A 66 -14.690 2.437 7.623 1.00 0.00 N ATOM 982 CZ ARG A 66 -14.491 3.232 8.675 1.00 0.00 C ATOM 983 NH1 ARG A 66 -14.576 2.778 9.920 1.00 0.00 N ATOM 984 NH2 ARG A 66 -14.214 4.510 8.469 1.00 0.00 N ATOM 0 H ARG A 66 -14.013 -0.601 3.946 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.806 -2.657 5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.882 -0.340 5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.962 -1.437 6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.914 -0.068 6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.869 1.045 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.386 1.191 7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.977 0.545 8.501 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.384 2.796 6.719 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.799 1.797 10.091 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.419 3.410 10.705 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.156 4.872 7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.059 5.132 9.262 1.00 0.00 H new ATOM 998 N HIS A 67 -16.059 -2.080 2.431 1.00 0.00 N ATOM 999 CA HIS A 67 -16.813 -2.041 1.182 1.00 0.00 C ATOM 1000 C HIS A 67 -18.199 -2.656 1.377 1.00 0.00 C ATOM 1001 O HIS A 67 -18.401 -3.534 2.224 1.00 0.00 O ATOM 1002 CB HIS A 67 -16.041 -2.758 0.066 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.534 -2.461 -1.326 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.681 -2.984 -1.920 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -15.870 -1.703 -2.242 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.686 -2.527 -3.183 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.613 -1.748 -3.397 1.00 0.00 N ATOM 0 H HIS A 67 -15.211 -2.644 2.379 1.00 0.00 H new ATOM 0 HA HIS A 67 -16.944 -1.001 0.885 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -14.989 -2.479 0.132 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -16.097 -3.833 0.236 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -14.942 -1.171 -2.090 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.443 -2.753 -3.919 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.388 -1.270 -4.270 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.152 -2.204 0.568 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.552 -2.586 0.620 1.00 0.00 C ATOM 1017 C GLN A 68 -20.806 -4.001 0.075 1.00 0.00 C ATOM 1018 O GLN A 68 -21.652 -4.706 0.623 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.372 -1.502 -0.092 1.00 0.00 C ATOM 1020 CG GLN A 68 -21.034 -1.305 -1.579 1.00 0.00 C ATOM 1021 CD GLN A 68 -21.627 0.002 -2.086 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -22.818 0.089 -2.375 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -20.835 1.052 -2.207 1.00 0.00 N ATOM 0 H GLN A 68 -18.957 -1.531 -0.174 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.874 -2.646 1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.430 -1.751 -0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.224 -0.555 0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.953 -1.299 -1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -21.424 -2.140 -2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -19.847 0.976 -1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -21.212 1.939 -2.541 1.00 0.00 H new ATOM 1032 N ASP A 69 -20.057 -4.468 -0.926 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.135 -5.835 -1.446 1.00 0.00 C ATOM 1034 C ASP A 69 -19.278 -6.743 -0.574 1.00 0.00 C ATOM 1035 O ASP A 69 -18.070 -6.527 -0.469 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.642 -5.878 -2.894 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.622 -7.280 -3.528 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -19.850 -8.306 -2.848 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -19.332 -7.365 -4.747 1.00 0.00 O ATOM 0 H ASP A 69 -19.365 -3.894 -1.408 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.170 -6.176 -1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.277 -5.230 -3.499 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.635 -5.463 -2.933 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.884 -7.753 0.049 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.211 -8.695 0.933 1.00 0.00 C ATOM 1046 C VAL A 70 -17.971 -9.324 0.295 1.00 0.00 C ATOM 1047 O VAL A 70 -16.953 -9.403 0.977 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.220 -9.753 1.424 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.563 -10.863 2.252 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.251 -9.067 2.324 1.00 0.00 C ATOM 0 H VAL A 70 -20.882 -7.941 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.837 -8.144 1.796 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.668 -10.202 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.322 -11.578 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.814 -11.374 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -19.085 -10.428 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.972 -9.804 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.745 -8.614 3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.771 -8.294 1.758 1.00 0.00 H new ATOM 1060 N ALA A 71 -17.999 -9.768 -0.965 1.00 0.00 N ATOM 1061 CA ALA A 71 -16.851 -10.487 -1.533 1.00 0.00 C ATOM 1062 C ALA A 71 -15.668 -9.555 -1.777 1.00 0.00 C ATOM 1063 O ALA A 71 -14.513 -9.909 -1.513 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.222 -11.148 -2.852 1.00 0.00 C ATOM 0 H ALA A 71 -18.787 -9.647 -1.602 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.566 -11.245 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.355 -11.674 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.033 -11.858 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.544 -10.387 -3.562 1.00 0.00 H new ATOM 1070 N THR A 72 -15.959 -8.367 -2.294 1.00 0.00 N ATOM 1071 CA THR A 72 -14.986 -7.316 -2.522 1.00 0.00 C ATOM 1072 C THR A 72 -14.441 -6.849 -1.171 1.00 0.00 C ATOM 1073 O THR A 72 -13.222 -6.798 -1.011 1.00 0.00 O ATOM 1074 CB THR A 72 -15.643 -6.229 -3.385 1.00 0.00 C ATOM 1075 OG1 THR A 72 -15.693 -6.706 -4.713 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.901 -4.903 -3.414 1.00 0.00 C ATOM 0 H THR A 72 -16.905 -8.105 -2.572 1.00 0.00 H new ATOM 0 HA THR A 72 -14.115 -7.654 -3.083 1.00 0.00 H new ATOM 0 HB THR A 72 -16.621 -6.037 -2.944 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.111 -6.031 -5.288 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.439 -4.199 -4.048 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.833 -4.502 -2.403 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.898 -5.056 -3.812 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.294 -6.608 -0.167 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.845 -6.346 1.191 1.00 0.00 C ATOM 1086 C ARG A 73 -13.929 -7.474 1.648 1.00 0.00 C ATOM 1087 O ARG A 73 -12.834 -7.184 2.111 1.00 0.00 O ATOM 1088 CB ARG A 73 -16.039 -6.176 2.148 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.526 -5.583 3.461 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.560 -5.539 4.585 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.913 -5.058 5.816 1.00 0.00 N ATOM 1092 CZ ARG A 73 -16.512 -4.791 6.980 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -17.796 -5.078 7.176 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -15.806 -4.231 7.956 1.00 0.00 N ATOM 0 H ARG A 73 -16.308 -6.591 -0.280 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.287 -5.410 1.205 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.790 -5.522 1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.520 -7.137 2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.668 -6.165 3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.170 -4.570 3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.385 -4.881 4.312 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.983 -6.531 4.745 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.904 -4.914 5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.342 -5.510 6.430 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.235 -4.866 8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.821 -4.011 7.811 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.249 -4.021 8.850 1.00 0.00 H new ATOM 1108 N SER A 74 -14.343 -8.735 1.494 1.00 0.00 N ATOM 1109 CA SER A 74 -13.569 -9.890 1.924 1.00 0.00 C ATOM 1110 C SER A 74 -12.152 -9.812 1.360 1.00 0.00 C ATOM 1111 O SER A 74 -11.217 -10.017 2.118 1.00 0.00 O ATOM 1112 CB SER A 74 -14.264 -11.220 1.575 1.00 0.00 C ATOM 1113 OG SER A 74 -13.816 -12.259 2.436 1.00 0.00 O ATOM 0 H SER A 74 -15.234 -8.979 1.062 1.00 0.00 H new ATOM 0 HA SER A 74 -13.502 -9.867 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.344 -11.107 1.664 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.056 -11.484 0.538 1.00 0.00 H new ATOM 0 HG SER A 74 -14.269 -13.096 2.202 1.00 0.00 H new ATOM 1119 N ARG A 75 -11.970 -9.461 0.080 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.641 -9.320 -0.525 1.00 0.00 C ATOM 1121 C ARG A 75 -9.840 -8.300 0.256 1.00 0.00 C ATOM 1122 O ARG A 75 -8.752 -8.600 0.723 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.722 -8.883 -1.996 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.086 -10.040 -2.925 1.00 0.00 C ATOM 1125 CD ARG A 75 -11.864 -9.566 -4.156 1.00 0.00 C ATOM 1126 NE ARG A 75 -11.782 -10.542 -5.253 1.00 0.00 N ATOM 1127 CZ ARG A 75 -11.835 -10.272 -6.567 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -11.990 -9.026 -7.012 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -11.724 -11.271 -7.436 1.00 0.00 N ATOM 0 H ARG A 75 -12.738 -9.268 -0.563 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.155 -10.295 -0.492 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.464 -8.091 -2.097 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.764 -8.462 -2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.176 -10.548 -3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.683 -10.770 -2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.908 -9.405 -3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.469 -8.607 -4.490 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.674 -11.521 -4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.071 -8.254 -6.350 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.028 -8.844 -8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.601 -12.227 -7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.762 -11.082 -8.438 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.371 -7.093 0.410 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.690 -6.035 1.127 1.00 0.00 C ATOM 1145 C TYR A 76 -9.323 -6.437 2.553 1.00 0.00 C ATOM 1146 O TYR A 76 -8.165 -6.282 2.936 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.562 -4.785 1.061 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.776 -4.293 -0.361 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.695 -4.168 -1.257 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -12.070 -3.971 -0.793 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.904 -3.703 -2.564 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -12.278 -3.452 -2.082 1.00 0.00 C ATOM 1153 CZ TYR A 76 -11.198 -3.335 -2.987 1.00 0.00 C ATOM 1154 OH TYR A 76 -11.370 -2.880 -4.259 1.00 0.00 O ATOM 0 H TYR A 76 -11.283 -6.826 0.041 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.731 -5.826 0.653 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.529 -4.997 1.517 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.099 -3.993 1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.699 -4.432 -0.935 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.911 -4.122 -0.132 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.072 -3.627 -3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.267 -3.141 -2.383 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.315 -2.667 -4.405 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.260 -6.957 3.348 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.937 -7.334 4.730 1.00 0.00 C ATOM 1166 C VAL A 77 -8.969 -8.519 4.770 1.00 0.00 C ATOM 1167 O VAL A 77 -8.088 -8.540 5.629 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.178 -7.563 5.619 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -12.204 -6.453 5.393 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.872 -8.913 5.419 1.00 0.00 C ATOM 0 H VAL A 77 -11.227 -7.125 3.070 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.431 -6.474 5.168 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.795 -7.554 6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.074 -6.627 6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.759 -5.490 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.511 -6.449 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.732 -8.983 6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.206 -9.001 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.173 -9.718 5.644 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.097 -9.487 3.856 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.190 -10.622 3.760 1.00 0.00 C ATOM 1182 C ARG A 78 -6.796 -10.116 3.451 1.00 0.00 C ATOM 1183 O ARG A 78 -5.867 -10.477 4.160 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.629 -11.597 2.656 1.00 0.00 C ATOM 1185 CG ARG A 78 -9.844 -12.460 3.024 1.00 0.00 C ATOM 1186 CD ARG A 78 -9.520 -13.940 3.225 1.00 0.00 C ATOM 1187 NE ARG A 78 -9.237 -14.320 4.625 1.00 0.00 N ATOM 1188 CZ ARG A 78 -8.115 -14.172 5.346 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -7.040 -13.548 4.879 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -8.065 -14.653 6.584 1.00 0.00 N ATOM 0 H ARG A 78 -9.841 -9.499 3.159 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.203 -11.154 4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.861 -11.028 1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.793 -12.252 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.290 -12.069 3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.594 -12.367 2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.358 -14.535 2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.657 -14.197 2.610 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.013 -14.762 5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.046 -13.158 3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.208 -13.459 5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.875 -15.130 6.979 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.216 -14.545 7.139 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.659 -9.255 2.444 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.398 -8.660 2.057 1.00 0.00 C ATOM 1206 C LEU A 79 -4.782 -7.943 3.254 1.00 0.00 C ATOM 1207 O LEU A 79 -3.637 -8.224 3.587 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.584 -7.765 0.826 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.288 -7.051 0.399 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.111 -7.997 0.143 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.538 -6.294 -0.900 1.00 0.00 C ATOM 0 H LEU A 79 -7.443 -8.950 1.867 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.690 -9.433 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.949 -8.370 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.350 -7.019 1.038 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.023 -6.397 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.236 -7.418 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.887 -8.553 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.371 -8.694 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.624 -5.786 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.842 -6.995 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.327 -5.558 -0.746 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.540 -7.076 3.927 1.00 0.00 N ATOM 1224 CA VAL A 80 -5.097 -6.382 5.133 1.00 0.00 C ATOM 1225 C VAL A 80 -4.599 -7.366 6.192 1.00 0.00 C ATOM 1226 O VAL A 80 -3.539 -7.146 6.772 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.227 -5.460 5.638 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.952 -4.902 7.038 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.412 -4.254 4.707 1.00 0.00 C ATOM 0 H VAL A 80 -6.490 -6.834 3.645 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.239 -5.752 4.899 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.120 -6.084 5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.779 -4.261 7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.852 -5.726 7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.029 -4.322 7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.214 -3.621 5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.486 -3.681 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.667 -4.603 3.706 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.355 -8.426 6.463 1.00 0.00 N ATOM 1240 CA ASP A 81 -5.050 -9.393 7.508 1.00 0.00 C ATOM 1241 C ASP A 81 -3.784 -10.170 7.157 1.00 0.00 C ATOM 1242 O ASP A 81 -2.816 -10.176 7.913 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.249 -10.330 7.689 1.00 0.00 C ATOM 1244 CG ASP A 81 -6.087 -11.264 8.881 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -5.059 -11.958 8.998 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -7.047 -11.380 9.678 1.00 0.00 O ATOM 0 H ASP A 81 -6.212 -8.639 5.952 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.866 -8.875 8.449 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.154 -9.736 7.818 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.383 -10.922 6.784 1.00 0.00 H new ATOM 1251 N SER A 82 -3.756 -10.780 5.976 1.00 0.00 N ATOM 1252 CA SER A 82 -2.668 -11.630 5.539 1.00 0.00 C ATOM 1253 C SER A 82 -1.393 -10.829 5.243 1.00 0.00 C ATOM 1254 O SER A 82 -0.326 -11.423 5.127 1.00 0.00 O ATOM 1255 CB SER A 82 -3.131 -12.451 4.334 1.00 0.00 C ATOM 1256 OG SER A 82 -3.774 -13.642 4.731 1.00 0.00 O ATOM 0 H SER A 82 -4.504 -10.692 5.289 1.00 0.00 H new ATOM 0 HA SER A 82 -2.402 -12.311 6.347 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.812 -11.854 3.727 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.273 -12.692 3.706 1.00 0.00 H new ATOM 0 HG SER A 82 -4.058 -14.141 3.937 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.434 -9.495 5.169 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.209 -8.708 5.211 1.00 0.00 C ATOM 1264 C VAL A 83 0.386 -8.754 6.620 1.00 0.00 C ATOM 1265 O VAL A 83 1.603 -8.862 6.726 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.484 -7.272 4.715 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.562 -6.236 5.152 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.508 -7.289 3.180 1.00 0.00 C ATOM 0 H VAL A 83 -2.291 -8.949 5.081 1.00 0.00 H new ATOM 0 HA VAL A 83 0.535 -9.133 4.537 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.433 -6.972 5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.290 -5.256 4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.599 -6.193 6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.541 -6.522 4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.701 -6.283 2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.455 -7.636 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.295 -7.960 2.836 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.419 -8.703 7.690 1.00 0.00 N ATOM 1279 CA LYS A 84 0.081 -8.809 9.065 1.00 0.00 C ATOM 1280 C LYS A 84 0.755 -10.167 9.234 1.00 0.00 C ATOM 1281 O LYS A 84 1.891 -10.252 9.700 1.00 0.00 O ATOM 1282 CB LYS A 84 -1.056 -8.669 10.094 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.941 -7.420 9.937 1.00 0.00 C ATOM 1284 CD LYS A 84 -3.156 -7.529 10.866 1.00 0.00 C ATOM 1285 CE LYS A 84 -4.104 -6.335 10.726 1.00 0.00 C ATOM 1286 NZ LYS A 84 -5.204 -6.360 11.717 1.00 0.00 N ATOM 0 H LYS A 84 -1.430 -8.588 7.626 1.00 0.00 H new ATOM 0 HA LYS A 84 0.790 -8.000 9.241 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.691 -9.553 10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.620 -8.661 11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.368 -6.524 10.175 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.270 -7.323 8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.698 -8.448 10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.815 -7.600 11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.537 -5.411 10.841 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.526 -6.327 9.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.815 -5.530 11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.764 -7.228 11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.806 -6.340 12.678 1.00 0.00 H new ATOM 1300 N GLU A 85 0.076 -11.225 8.789 1.00 0.00 N ATOM 1301 CA GLU A 85 0.604 -12.583 8.740 1.00 0.00 C ATOM 1302 C GLU A 85 1.955 -12.597 8.014 1.00 0.00 C ATOM 1303 O GLU A 85 2.955 -13.097 8.528 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.413 -13.499 8.055 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.742 -13.623 8.814 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.539 -14.238 10.194 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -1.461 -15.487 10.284 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -1.351 -13.475 11.168 1.00 0.00 O ATOM 0 H GLU A 85 -0.881 -11.156 8.444 1.00 0.00 H new ATOM 0 HA GLU A 85 0.770 -12.952 9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.612 -13.121 7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.024 -14.491 7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.198 -12.638 8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.435 -14.237 8.239 1.00 0.00 H new ATOM 1315 N ASN A 86 2.024 -11.951 6.854 1.00 0.00 N ATOM 1316 CA ASN A 86 3.214 -11.913 6.015 1.00 0.00 C ATOM 1317 C ASN A 86 4.216 -10.851 6.477 1.00 0.00 C ATOM 1318 O ASN A 86 5.189 -10.619 5.763 1.00 0.00 O ATOM 1319 CB ASN A 86 2.826 -11.735 4.542 1.00 0.00 C ATOM 1320 CG ASN A 86 2.032 -12.922 3.992 1.00 0.00 C ATOM 1321 OD1 ASN A 86 1.546 -13.793 4.712 1.00 0.00 O ATOM 1322 ND2 ASN A 86 1.865 -12.973 2.689 1.00 0.00 N ATOM 0 H ASN A 86 1.238 -11.430 6.465 1.00 0.00 H new ATOM 0 HA ASN A 86 3.723 -12.872 6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.234 -10.826 4.434 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.729 -11.600 3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.331 -13.736 2.273 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.269 -12.249 2.094 1.00 0.00 H new ATOM 1329 N ALA A 87 4.008 -10.251 7.654 1.00 0.00 N ATOM 1330 CA ALA A 87 4.898 -9.417 8.458 1.00 0.00 C ATOM 1331 C ALA A 87 4.855 -7.918 8.110 1.00 0.00 C ATOM 1332 O ALA A 87 5.585 -7.133 8.722 1.00 0.00 O ATOM 1333 CB ALA A 87 6.331 -9.974 8.490 1.00 0.00 C ATOM 0 H ALA A 87 3.105 -10.353 8.117 1.00 0.00 H new ATOM 0 HA ALA A 87 4.502 -9.471 9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.960 -9.324 9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.322 -10.976 8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.727 -10.017 7.476 1.00 0.00 H new ATOM 1339 N GLY A 88 3.984 -7.477 7.204 1.00 0.00 N ATOM 1340 CA GLY A 88 3.883 -6.085 6.779 1.00 0.00 C ATOM 1341 C GLY A 88 3.033 -5.225 7.721 1.00 0.00 C ATOM 1342 O GLY A 88 2.253 -5.722 8.542 1.00 0.00 O ATOM 0 H GLY A 88 3.316 -8.091 6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.884 -5.659 6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.454 -6.048 5.778 1.00 0.00 H new ATOM 1346 N THR A 89 3.191 -3.911 7.607 1.00 0.00 N ATOM 1347 CA THR A 89 2.483 -2.868 8.332 1.00 0.00 C ATOM 1348 C THR A 89 1.189 -2.529 7.587 1.00 0.00 C ATOM 1349 O THR A 89 1.210 -2.253 6.387 1.00 0.00 O ATOM 1350 CB THR A 89 3.406 -1.637 8.413 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.633 -1.960 9.049 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.757 -0.451 9.135 1.00 0.00 C ATOM 0 H THR A 89 3.870 -3.520 6.954 1.00 0.00 H new ATOM 0 HA THR A 89 2.223 -3.195 9.339 1.00 0.00 H new ATOM 0 HB THR A 89 3.594 -1.336 7.382 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.202 -1.163 9.087 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.455 0.386 9.160 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.853 -0.153 8.605 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.501 -0.741 10.154 1.00 0.00 H new ATOM 1360 N VAL A 90 0.056 -2.494 8.284 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.201 -2.013 7.719 1.00 0.00 C ATOM 1362 C VAL A 90 -1.305 -0.493 7.921 1.00 0.00 C ATOM 1363 O VAL A 90 -0.903 0.040 8.961 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.355 -2.788 8.384 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.740 -2.226 8.038 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.293 -4.274 7.993 1.00 0.00 C ATOM 0 H VAL A 90 -0.016 -2.798 9.255 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.251 -2.190 6.645 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.221 -2.673 9.460 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.508 -2.817 8.538 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.806 -1.190 8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.892 -2.272 6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.114 -4.810 8.469 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.377 -4.369 6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.344 -4.697 8.322 1.00 0.00 H new ATOM 1376 N ARG A 91 -1.914 0.202 6.956 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.374 1.586 7.022 1.00 0.00 C ATOM 1378 C ARG A 91 -3.803 1.590 6.489 1.00 0.00 C ATOM 1379 O ARG A 91 -4.065 0.998 5.442 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.495 2.504 6.142 1.00 0.00 C ATOM 1381 CG ARG A 91 0.011 2.466 6.419 1.00 0.00 C ATOM 1382 CD ARG A 91 0.310 3.363 7.605 1.00 0.00 C ATOM 1383 NE ARG A 91 1.664 3.213 8.149 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.011 3.632 9.371 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.108 4.194 10.176 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.266 3.486 9.767 1.00 0.00 N ATOM 0 H ARG A 91 -2.110 -0.219 6.048 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.317 1.959 8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.658 2.236 5.098 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.840 3.530 6.266 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.331 1.445 6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.565 2.801 5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.164 4.401 7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.412 3.154 8.395 1.00 0.00 H new ATOM 0 HE ARG A 91 2.375 2.768 7.568 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.144 4.307 9.861 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.381 4.511 11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.951 3.060 9.143 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.548 3.800 10.696 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.717 2.247 7.199 1.00 0.00 N ATOM 1401 CA ILE A 92 -6.123 2.367 6.831 1.00 0.00 C ATOM 1402 C ILE A 92 -6.361 3.863 6.652 1.00 0.00 C ATOM 1403 O ILE A 92 -6.215 4.623 7.613 1.00 0.00 O ATOM 1404 CB ILE A 92 -7.034 1.736 7.909 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.661 0.283 8.285 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.510 1.827 7.489 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.810 -0.758 7.170 1.00 0.00 C ATOM 0 H ILE A 92 -4.492 2.724 8.072 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.364 1.827 5.915 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.873 2.323 8.813 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.627 0.272 8.630 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.281 -0.024 9.127 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.136 1.378 8.260 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.788 2.873 7.360 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.654 1.295 6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.521 -1.739 7.547 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.847 -0.788 6.837 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.168 -0.488 6.332 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.637 4.284 5.425 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.681 5.671 4.984 1.00 0.00 C ATOM 1421 C PHE A 93 -8.096 6.220 5.150 1.00 0.00 C ATOM 1422 O PHE A 93 -9.062 5.509 4.877 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.274 5.699 3.506 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.791 5.835 3.220 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.795 5.252 4.035 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.412 6.564 2.084 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.434 5.453 3.736 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -3.059 6.739 1.776 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.064 6.208 2.607 1.00 0.00 C ATOM 0 H PHE A 93 -6.848 3.631 4.670 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.004 6.287 5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.631 4.783 3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.793 6.528 3.024 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.078 4.652 4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.169 6.993 1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.673 5.028 4.373 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.779 7.288 0.889 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.021 6.377 2.383 1.00 0.00 H new ATOM 1439 N SER A 94 -8.227 7.472 5.587 1.00 0.00 N ATOM 1440 CA SER A 94 -9.515 8.139 5.743 1.00 0.00 C ATOM 1441 C SER A 94 -9.948 8.815 4.446 1.00 0.00 C ATOM 1442 O SER A 94 -9.175 9.604 3.905 1.00 0.00 O ATOM 1443 CB SER A 94 -9.402 9.186 6.854 1.00 0.00 C ATOM 1444 OG SER A 94 -9.356 8.528 8.104 1.00 0.00 O ATOM 0 H SER A 94 -7.432 8.056 5.845 1.00 0.00 H new ATOM 0 HA SER A 94 -10.265 7.392 6.001 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.505 9.789 6.713 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.253 9.866 6.818 1.00 0.00 H new ATOM 0 HG SER A 94 -9.282 9.192 8.821 1.00 0.00 H new ATOM 1450 N SER A 95 -11.190 8.582 4.005 1.00 0.00 N ATOM 1451 CA SER A 95 -11.741 9.206 2.804 1.00 0.00 C ATOM 1452 C SER A 95 -11.574 10.735 2.799 1.00 0.00 C ATOM 1453 O SER A 95 -11.263 11.312 1.761 1.00 0.00 O ATOM 1454 CB SER A 95 -13.231 8.891 2.652 1.00 0.00 C ATOM 1455 OG SER A 95 -13.545 7.518 2.775 1.00 0.00 O ATOM 0 H SER A 95 -11.840 7.953 4.475 1.00 0.00 H new ATOM 0 HA SER A 95 -11.176 8.788 1.971 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.788 9.449 3.404 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.569 9.244 1.678 1.00 0.00 H new ATOM 0 HG SER A 95 -14.511 7.393 2.669 1.00 0.00 H new ATOM 1461 N LEU A 96 -11.808 11.392 3.944 1.00 0.00 N ATOM 1462 CA LEU A 96 -11.884 12.835 4.100 1.00 0.00 C ATOM 1463 C LEU A 96 -10.535 13.537 3.945 1.00 0.00 C ATOM 1464 O LEU A 96 -10.472 14.764 3.857 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.400 13.120 5.522 1.00 0.00 C ATOM 1466 CG LEU A 96 -13.631 12.330 6.008 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -14.774 12.359 4.993 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -13.367 10.896 6.505 1.00 0.00 C ATOM 0 H LEU A 96 -11.955 10.899 4.825 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.540 13.216 3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.584 12.932 6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.636 14.182 5.587 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.934 12.874 6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.619 11.789 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.081 13.390 4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.438 11.918 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.306 10.441 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.931 10.306 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -12.677 10.924 7.348 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.443 12.785 4.054 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.100 13.276 4.048 1.00 0.00 C ATOM 1482 C HIS A 97 -7.528 13.223 2.632 1.00 0.00 C ATOM 1483 O HIS A 97 -7.874 12.321 1.871 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.324 12.380 5.019 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.014 13.008 5.311 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -4.789 12.550 4.931 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -5.886 14.283 5.747 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -3.923 13.555 5.098 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -4.542 14.642 5.594 1.00 0.00 N ATOM 0 H HIS A 97 -9.491 11.771 4.153 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.037 14.318 4.361 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.890 12.244 5.940 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.179 11.391 4.585 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.675 14.907 6.140 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.870 13.502 4.866 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.118 15.543 5.814 1.00 0.00 H new ATOM 1497 N VAL A 98 -6.608 14.132 2.291 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.046 14.218 0.943 1.00 0.00 C ATOM 1499 C VAL A 98 -5.337 12.922 0.523 1.00 0.00 C ATOM 1500 O VAL A 98 -5.398 12.546 -0.647 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.150 15.464 0.821 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -3.773 15.288 1.467 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -5.001 15.909 -0.635 1.00 0.00 C ATOM 0 H VAL A 98 -6.235 14.825 2.940 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.867 14.334 0.235 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.663 16.248 1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.194 16.203 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.894 15.075 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.250 14.461 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.362 16.791 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.552 15.104 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.982 16.149 -1.044 1.00 0.00 H new ATOM 1513 N SER A 99 -4.745 12.191 1.477 1.00 0.00 N ATOM 1514 CA SER A 99 -4.160 10.878 1.235 1.00 0.00 C ATOM 1515 C SER A 99 -5.174 9.927 0.573 1.00 0.00 C ATOM 1516 O SER A 99 -4.767 8.989 -0.108 1.00 0.00 O ATOM 1517 CB SER A 99 -3.612 10.328 2.570 1.00 0.00 C ATOM 1518 OG SER A 99 -2.575 11.160 3.054 1.00 0.00 O ATOM 0 H SER A 99 -4.661 12.503 2.445 1.00 0.00 H new ATOM 0 HA SER A 99 -3.333 10.964 0.530 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.415 10.271 3.305 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.238 9.314 2.428 1.00 0.00 H new ATOM 0 HG SER A 99 -1.715 10.847 2.705 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.480 10.175 0.722 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.541 9.392 0.135 1.00 0.00 C ATOM 1526 C GLY A 100 -7.713 9.671 -1.348 1.00 0.00 C ATOM 1527 O GLY A 100 -7.655 8.723 -2.129 1.00 0.00 O ATOM 0 H GLY A 100 -6.826 10.958 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.330 8.332 0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.476 9.605 0.653 1.00 0.00 H new ATOM 1531 N GLU A 101 -7.872 10.935 -1.762 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.002 11.275 -3.185 1.00 0.00 C ATOM 1533 C GLU A 101 -6.736 10.873 -3.957 1.00 0.00 C ATOM 1534 O GLU A 101 -6.783 10.526 -5.145 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.349 12.761 -3.404 1.00 0.00 C ATOM 1536 CG GLU A 101 -7.322 13.736 -2.816 1.00 0.00 C ATOM 1537 CD GLU A 101 -7.413 15.142 -3.407 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -6.768 15.416 -4.446 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -8.088 16.026 -2.837 1.00 0.00 O ATOM 0 H GLU A 101 -7.914 11.737 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.840 10.701 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.441 12.948 -4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.323 12.965 -2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.463 13.794 -1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.320 13.343 -2.986 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.601 10.893 -3.260 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.314 10.439 -3.738 1.00 0.00 C ATOM 1548 C GLN A 102 -4.332 8.920 -3.940 1.00 0.00 C ATOM 1549 O GLN A 102 -4.088 8.469 -5.061 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.226 10.933 -2.778 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.031 12.453 -2.907 1.00 0.00 C ATOM 1552 CD GLN A 102 -1.965 12.993 -1.965 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -2.129 13.022 -0.749 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -0.831 13.418 -2.499 1.00 0.00 N ATOM 0 H GLN A 102 -5.561 11.244 -2.303 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.086 10.860 -4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.499 10.683 -1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.287 10.422 -2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.757 12.694 -3.934 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.977 12.955 -2.703 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.702 13.391 -3.510 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.086 13.773 -1.899 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.681 8.123 -2.919 1.00 0.00 N ATOM 1564 CA LEU A 103 -4.766 6.672 -3.071 1.00 0.00 C ATOM 1565 C LEU A 103 -5.778 6.296 -4.147 1.00 0.00 C ATOM 1566 O LEU A 103 -5.584 5.325 -4.865 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.195 5.989 -1.759 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.697 4.540 -1.627 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.190 4.366 -1.634 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.210 3.912 -0.330 1.00 0.00 C ATOM 0 H LEU A 103 -4.907 8.462 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.770 6.331 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.820 6.571 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.283 5.998 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.090 4.050 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.945 3.308 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.784 4.747 -2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.756 4.918 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.848 2.887 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.849 4.489 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.300 3.912 -0.332 1.00 0.00 H new ATOM 1582 N SER A 104 -6.880 7.034 -4.241 1.00 0.00 N ATOM 1583 CA SER A 104 -8.008 6.779 -5.123 1.00 0.00 C ATOM 1584 C SER A 104 -7.581 6.736 -6.596 1.00 0.00 C ATOM 1585 O SER A 104 -8.084 5.908 -7.356 1.00 0.00 O ATOM 1586 CB SER A 104 -9.048 7.864 -4.843 1.00 0.00 C ATOM 1587 OG SER A 104 -10.207 7.706 -5.626 1.00 0.00 O ATOM 0 H SER A 104 -7.015 7.870 -3.672 1.00 0.00 H new ATOM 0 HA SER A 104 -8.437 5.796 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.319 7.841 -3.787 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.610 8.843 -5.038 1.00 0.00 H new ATOM 0 HG SER A 104 -10.845 8.419 -5.414 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.606 7.555 -7.001 1.00 0.00 N ATOM 1594 CA GLN A 105 -6.017 7.510 -8.344 1.00 0.00 C ATOM 1595 C GLN A 105 -5.370 6.154 -8.634 1.00 0.00 C ATOM 1596 O GLN A 105 -5.294 5.719 -9.781 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.983 8.635 -8.452 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.682 9.986 -8.636 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.762 11.145 -8.300 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -4.006 11.613 -9.147 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -4.780 11.612 -7.062 1.00 0.00 N ATOM 0 H GLN A 105 -6.200 8.274 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.805 7.647 -9.085 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.365 8.657 -7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.316 8.446 -9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.025 10.081 -9.666 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.567 10.028 -8.000 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.416 11.209 -6.374 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.158 12.375 -6.796 1.00 0.00 H new ATOM 1610 N LEU A 106 -4.958 5.458 -7.582 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.326 4.152 -7.575 1.00 0.00 C ATOM 1612 C LEU A 106 -5.353 3.082 -7.163 1.00 0.00 C ATOM 1613 O LEU A 106 -4.996 1.984 -6.739 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.112 4.217 -6.633 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.137 5.378 -6.914 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.166 5.497 -5.750 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.361 5.170 -8.216 1.00 0.00 C ATOM 0 H LEU A 106 -5.068 5.825 -6.637 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.971 3.872 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.470 4.302 -5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.565 3.277 -6.703 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.717 6.294 -7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.471 6.316 -5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.720 5.695 -4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.609 4.566 -5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.686 6.011 -8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.783 4.248 -8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.060 5.103 -9.050 1.00 0.00 H new ATOM 1629 N THR A 107 -6.645 3.401 -7.291 1.00 0.00 N ATOM 1630 CA THR A 107 -7.849 2.629 -6.982 1.00 0.00 C ATOM 1631 C THR A 107 -8.193 2.593 -5.483 1.00 0.00 C ATOM 1632 O THR A 107 -9.208 2.017 -5.095 1.00 0.00 O ATOM 1633 CB THR A 107 -7.882 1.255 -7.692 1.00 0.00 C ATOM 1634 OG1 THR A 107 -7.010 0.313 -7.121 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.503 1.317 -9.175 1.00 0.00 C ATOM 0 H THR A 107 -6.900 4.318 -7.658 1.00 0.00 H new ATOM 0 HA THR A 107 -8.680 3.181 -7.420 1.00 0.00 H new ATOM 0 HB THR A 107 -8.922 0.953 -7.572 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.173 0.754 -6.866 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.549 0.316 -9.604 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.199 1.970 -9.701 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.491 1.709 -9.276 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.405 3.258 -4.639 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.543 3.343 -3.190 1.00 0.00 C ATOM 1645 C GLY A 108 -6.977 2.114 -2.481 1.00 0.00 C ATOM 1646 O GLY A 108 -7.365 1.845 -1.348 1.00 0.00 O ATOM 0 H GLY A 108 -6.600 3.786 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.031 4.235 -2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.596 3.455 -2.933 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.068 1.365 -3.113 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.473 0.160 -2.550 1.00 0.00 C ATOM 1652 C VAL A 109 -4.069 -0.007 -3.159 1.00 0.00 C ATOM 1653 O VAL A 109 -3.939 -0.269 -4.356 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.454 -1.028 -2.750 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.965 -1.203 -4.184 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.894 -2.347 -2.223 1.00 0.00 C ATOM 0 H VAL A 109 -5.722 1.587 -4.047 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.322 0.215 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.320 -0.750 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.643 -2.056 -4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.495 -0.302 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.121 -1.376 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.620 -3.143 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.969 -2.585 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.692 -2.256 -1.156 1.00 0.00 H new ATOM 1666 N ALA A 110 -3.012 0.206 -2.369 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.614 0.119 -2.781 1.00 0.00 C ATOM 1668 C ALA A 110 -0.735 -0.474 -1.666 1.00 0.00 C ATOM 1669 O ALA A 110 -1.231 -0.755 -0.574 1.00 0.00 O ATOM 1670 CB ALA A 110 -1.144 1.518 -3.192 1.00 0.00 C ATOM 0 H ALA A 110 -3.115 0.454 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.523 -0.557 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -0.100 1.474 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.755 1.879 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.242 2.198 -2.346 1.00 0.00 H new ATOM 1676 N ALA A 111 0.562 -0.690 -1.909 1.00 0.00 N ATOM 1677 CA ALA A 111 1.533 -1.075 -0.888 1.00 0.00 C ATOM 1678 C ALA A 111 2.973 -0.810 -1.340 1.00 0.00 C ATOM 1679 O ALA A 111 3.311 -0.989 -2.513 1.00 0.00 O ATOM 1680 CB ALA A 111 1.418 -2.568 -0.563 1.00 0.00 C ATOM 0 H ALA A 111 0.971 -0.600 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 111 1.308 -0.471 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.151 -2.832 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.416 -2.784 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.606 -3.152 -1.464 1.00 0.00 H new ATOM 1686 N ILE A 112 3.822 -0.459 -0.377 1.00 0.00 N ATOM 1687 CA ILE A 112 5.254 -0.275 -0.519 1.00 0.00 C ATOM 1688 C ILE A 112 5.903 -1.632 -0.402 1.00 0.00 C ATOM 1689 O ILE A 112 5.498 -2.445 0.436 1.00 0.00 O ATOM 1690 CB ILE A 112 5.806 0.633 0.604 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.164 2.020 0.481 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.342 0.735 0.522 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.639 3.002 1.554 1.00 0.00 C ATOM 0 H ILE A 112 3.505 -0.287 0.577 1.00 0.00 H new ATOM 0 HA ILE A 112 5.467 0.193 -1.480 1.00 0.00 H new ATOM 0 HB ILE A 112 5.557 0.201 1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.388 2.431 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.081 1.919 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.707 1.379 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.779 -0.258 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.628 1.156 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.147 3.964 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.390 2.611 2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.719 3.131 1.476 1.00 0.00 H new ATOM 1705 N LEU A 113 6.961 -1.826 -1.184 1.00 0.00 N ATOM 1706 CA LEU A 113 7.701 -3.060 -1.228 1.00 0.00 C ATOM 1707 C LEU A 113 9.130 -2.816 -0.765 1.00 0.00 C ATOM 1708 O LEU A 113 9.833 -1.937 -1.274 1.00 0.00 O ATOM 1709 CB LEU A 113 7.662 -3.682 -2.621 1.00 0.00 C ATOM 1710 CG LEU A 113 6.281 -3.669 -3.302 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.397 -4.030 -4.778 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.313 -4.630 -2.628 1.00 0.00 C ATOM 0 H LEU A 113 7.326 -1.110 -1.812 1.00 0.00 H new ATOM 0 HA LEU A 113 7.233 -3.775 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.370 -3.152 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.006 -4.714 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 113 5.892 -2.655 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.408 -4.014 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.041 -3.308 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.826 -5.027 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.350 -4.593 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.711 -5.643 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.183 -4.344 -1.584 1.00 0.00 H new ATOM 1724 N ARG A 114 9.569 -3.645 0.176 1.00 0.00 N ATOM 1725 CA ARG A 114 10.935 -3.703 0.683 1.00 0.00 C ATOM 1726 C ARG A 114 11.921 -3.883 -0.463 1.00 0.00 C ATOM 1727 O ARG A 114 12.982 -3.266 -0.480 1.00 0.00 O ATOM 1728 CB ARG A 114 11.062 -4.896 1.642 1.00 0.00 C ATOM 1729 CG ARG A 114 10.070 -4.835 2.802 1.00 0.00 C ATOM 1730 CD ARG A 114 10.239 -6.016 3.752 1.00 0.00 C ATOM 1731 NE ARG A 114 10.844 -5.555 4.998 1.00 0.00 N ATOM 1732 CZ ARG A 114 10.955 -6.250 6.124 1.00 0.00 C ATOM 1733 NH1 ARG A 114 10.637 -7.540 6.182 1.00 0.00 N ATOM 1734 NH2 ARG A 114 11.412 -5.607 7.184 1.00 0.00 N ATOM 0 H ARG A 114 8.955 -4.324 0.626 1.00 0.00 H new ATOM 0 HA ARG A 114 11.160 -2.771 1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.907 -5.821 1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.076 -4.930 2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.209 -3.904 3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.053 -4.826 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.272 -6.476 3.953 1.00 0.00 H new ATOM 0 HD3 ARG A 114 10.866 -6.780 3.292 1.00 0.00 H new ATOM 0 HE ARG A 114 11.218 -4.606 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 114 10.298 -8.020 5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.732 -8.050 7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 114 11.661 -4.620 7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 114 11.515 -6.097 8.072 1.00 0.00 H new ATOM 1748 N PHE A 115 11.565 -4.731 -1.420 1.00 0.00 N ATOM 1749 CA PHE A 115 12.382 -5.132 -2.542 1.00 0.00 C ATOM 1750 C PHE A 115 11.491 -5.149 -3.787 1.00 0.00 C ATOM 1751 O PHE A 115 10.269 -5.269 -3.656 1.00 0.00 O ATOM 1752 CB PHE A 115 13.031 -6.491 -2.234 1.00 0.00 C ATOM 1753 CG PHE A 115 12.145 -7.545 -1.601 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.311 -8.356 -2.395 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.196 -7.744 -0.208 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.561 -9.376 -1.787 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.417 -8.744 0.398 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.609 -9.573 -0.396 1.00 0.00 C ATOM 0 H PHE A 115 10.648 -5.177 -1.428 1.00 0.00 H new ATOM 0 HA PHE A 115 13.200 -4.436 -2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.429 -6.896 -3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.880 -6.320 -1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.249 -8.195 -3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.839 -7.123 0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.940 -10.017 -2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.440 -8.874 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 115 10.026 -10.359 0.060 1.00 0.00 H new ATOM 1768 N PRO A 116 12.074 -4.981 -4.983 1.00 0.00 N ATOM 1769 CA PRO A 116 11.346 -4.849 -6.229 1.00 0.00 C ATOM 1770 C PRO A 116 10.752 -6.205 -6.587 1.00 0.00 C ATOM 1771 O PRO A 116 11.462 -7.130 -6.986 1.00 0.00 O ATOM 1772 CB PRO A 116 12.365 -4.341 -7.251 1.00 0.00 C ATOM 1773 CG PRO A 116 13.695 -4.871 -6.725 1.00 0.00 C ATOM 1774 CD PRO A 116 13.501 -4.919 -5.216 1.00 0.00 C ATOM 0 HA PRO A 116 10.510 -4.151 -6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.151 -4.717 -8.251 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.363 -3.253 -7.312 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.920 -5.858 -7.130 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.522 -4.217 -7.001 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.001 -5.788 -4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.933 -4.038 -4.742 1.00 0.00 H new ATOM 1782 N VAL A 117 9.441 -6.339 -6.428 1.00 0.00 N ATOM 1783 CA VAL A 117 8.752 -7.577 -6.742 1.00 0.00 C ATOM 1784 C VAL A 117 8.899 -7.808 -8.255 1.00 0.00 C ATOM 1785 O VAL A 117 8.772 -6.852 -9.029 1.00 0.00 O ATOM 1786 CB VAL A 117 7.284 -7.457 -6.317 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.467 -8.696 -6.680 1.00 0.00 C ATOM 1788 CG2 VAL A 117 7.093 -7.276 -4.809 1.00 0.00 C ATOM 0 H VAL A 117 8.833 -5.597 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 117 9.174 -8.428 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 117 6.942 -6.573 -6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.435 -8.559 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.493 -8.845 -7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.890 -9.569 -6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.029 -7.198 -4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.514 -8.133 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.600 -6.367 -4.485 1.00 0.00 H new