USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 836 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 106 SER OG : rot 180:sc=-0.00274 USER MOD Set 1.2: A 109 MET CE :methyl -126:sc= -0.289 (180deg=-1.61!) USER MOD Set 2.1: A 18 TYR OH : rot -127:sc= -1.11! USER MOD Set 2.2: A 92 ASN : amide:sc= -3.96! C(o=-5.1!,f=-14!) USER MOD Set 3.1: A 65 LYS NZ :NH3+ -163:sc= -1.08 (180deg=-1.74) USER MOD Set 3.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 72 MET CE :methyl 174:sc= -5.16! (180deg=-5.24!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -66:sc= -1.42 USER MOD Single : A 23 TYR OH : rot 158:sc= -0.415! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -79:sc= -0.0698 USER MOD Single : A 28 LYS NZ :NH3+ -112:sc= -0.0281 (180deg=-0.352) USER MOD Single : A 29 GLN : amide:sc= -0.242 K(o=-0.24,f=-1.4) USER MOD Single : A 30 ASN : amide:sc= -2.12 K(o=-2.1,f=-5.2!) USER MOD Single : A 31 LYS NZ :NH3+ -107:sc= -0.0119 (180deg=-1.08) USER MOD Single : A 34 GLN : amide:sc= -2.98 K(o=-3,f=-4.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.0065) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -118:sc= -9.32! (180deg=-12.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -4.81! C(o=-4.8!,f=-7.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= -0.0893 (180deg=-0.126) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 56:sc= -5.66! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 165:sc=-0.00546 (180deg=-0.223) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -71:sc= -1.15 USER MOD Single : A 83 SER OG : rot -56:sc= 1.17 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -3.79! C(o=-3.8!,f=-8.2!) USER MOD Single : A 96 THR OG1 : rot 95:sc= -0.297 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot -62:sc= -1.13 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -64:sc= 0.418 USER MOD Single : A 112 HIS : no HD1:sc= -7.62! C(o=-7.6!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -1.100 4.907 14.217 1.00 0.00 N ATOM 194 CA TYR A 12 -1.557 5.849 13.191 1.00 0.00 C ATOM 195 C TYR A 12 -2.986 5.551 12.741 1.00 0.00 C ATOM 196 O TYR A 12 -3.204 4.894 11.724 1.00 0.00 O ATOM 197 CB TYR A 12 -0.590 5.791 11.997 1.00 0.00 C ATOM 198 CG TYR A 12 0.692 5.056 12.334 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.704 3.673 12.449 1.00 0.00 C ATOM 200 CD2 TYR A 12 1.869 5.744 12.599 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.842 2.993 12.814 1.00 0.00 C ATOM 202 CE2 TYR A 12 3.023 5.069 12.954 1.00 0.00 C ATOM 203 CZ TYR A 12 3.003 3.693 13.064 1.00 0.00 C ATOM 204 OH TYR A 12 4.145 3.018 13.429 1.00 0.00 O ATOM 0 HA TYR A 12 -1.563 6.852 13.617 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.080 5.297 11.158 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.352 6.805 11.675 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.201 3.119 12.247 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.883 6.821 12.527 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.826 1.917 12.904 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.935 5.616 13.144 1.00 0.00 H new ATOM 0 HH TYR A 12 4.874 3.659 13.567 1.00 0.00 H new ATOM 214 N GLY A 13 -3.953 6.036 13.511 1.00 0.00 N ATOM 215 CA GLY A 13 -5.349 5.811 13.184 1.00 0.00 C ATOM 216 C GLY A 13 -5.720 6.328 11.807 1.00 0.00 C ATOM 217 O GLY A 13 -6.381 5.634 11.036 1.00 0.00 O ATOM 0 H GLY A 13 -3.795 6.582 14.358 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.562 4.743 13.236 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.976 6.298 13.931 1.00 0.00 H new ATOM 221 N ILE A 14 -5.299 7.550 11.499 1.00 0.00 N ATOM 222 CA ILE A 14 -5.598 8.156 10.207 1.00 0.00 C ATOM 223 C ILE A 14 -4.953 7.372 9.068 1.00 0.00 C ATOM 224 O ILE A 14 -5.601 7.074 8.065 1.00 0.00 O ATOM 225 CB ILE A 14 -5.136 9.629 10.154 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.702 10.328 8.911 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.615 9.724 10.188 1.00 0.00 C ATOM 228 CD1 ILE A 14 -5.027 9.932 7.613 1.00 0.00 C ATOM 0 H ILE A 14 -4.751 8.139 12.125 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.681 8.128 10.084 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.522 10.139 11.036 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.766 10.106 8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.610 11.406 9.041 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.315 10.771 10.150 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.243 9.273 11.108 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.198 9.195 9.331 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.487 10.471 6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.967 10.180 7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.141 8.859 7.456 1.00 0.00 H new ATOM 240 N GLU A 15 -3.678 7.036 9.229 1.00 0.00 N ATOM 241 CA GLU A 15 -2.958 6.281 8.212 1.00 0.00 C ATOM 242 C GLU A 15 -3.478 4.852 8.145 1.00 0.00 C ATOM 243 O GLU A 15 -3.538 4.250 7.072 1.00 0.00 O ATOM 244 CB GLU A 15 -1.457 6.284 8.504 1.00 0.00 C ATOM 245 CG GLU A 15 -0.695 7.370 7.762 1.00 0.00 C ATOM 246 CD GLU A 15 0.351 8.044 8.626 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.198 7.328 9.201 1.00 0.00 O ATOM 248 OE2 GLU A 15 0.325 9.288 8.729 1.00 0.00 O ATOM 0 H GLU A 15 -3.124 7.274 10.052 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.125 6.759 7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.304 6.412 9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.041 5.313 8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.212 6.936 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.399 8.119 7.400 1.00 0.00 H new ATOM 255 N GLY A 16 -3.864 4.318 9.297 1.00 0.00 N ATOM 256 CA GLY A 16 -4.388 2.969 9.347 1.00 0.00 C ATOM 257 C GLY A 16 -5.753 2.868 8.699 1.00 0.00 C ATOM 258 O GLY A 16 -6.128 1.815 8.186 1.00 0.00 O ATOM 0 H GLY A 16 -3.823 4.796 10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.697 2.292 8.844 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.454 2.644 10.385 1.00 0.00 H new ATOM 262 N ARG A 17 -6.496 3.973 8.721 1.00 0.00 N ATOM 263 CA ARG A 17 -7.827 4.009 8.129 1.00 0.00 C ATOM 264 C ARG A 17 -7.752 3.914 6.609 1.00 0.00 C ATOM 265 O ARG A 17 -8.703 3.480 5.963 1.00 0.00 O ATOM 266 CB ARG A 17 -8.557 5.291 8.538 1.00 0.00 C ATOM 267 CG ARG A 17 -10.044 5.271 8.225 1.00 0.00 C ATOM 268 CD ARG A 17 -10.560 6.658 7.883 1.00 0.00 C ATOM 269 NE ARG A 17 -10.569 6.899 6.441 1.00 0.00 N ATOM 270 CZ ARG A 17 -11.219 7.906 5.862 1.00 0.00 C ATOM 271 NH1 ARG A 17 -11.912 8.767 6.596 1.00 0.00 N ATOM 272 NH2 ARG A 17 -11.175 8.053 4.545 1.00 0.00 N ATOM 0 H ARG A 17 -6.197 4.853 9.142 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.384 3.149 8.500 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.422 5.451 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.098 6.139 8.029 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.232 4.596 7.390 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.592 4.879 9.082 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.570 6.776 8.277 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.937 7.407 8.372 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.047 6.258 5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.949 8.659 7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.408 9.537 6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.643 7.395 3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.673 8.825 4.101 1.00 0.00 H new ATOM 286 N TYR A 18 -6.618 4.315 6.039 1.00 0.00 N ATOM 287 CA TYR A 18 -6.438 4.258 4.594 1.00 0.00 C ATOM 288 C TYR A 18 -6.635 2.836 4.089 1.00 0.00 C ATOM 289 O TYR A 18 -7.416 2.595 3.168 1.00 0.00 O ATOM 290 CB TYR A 18 -5.046 4.763 4.207 1.00 0.00 C ATOM 291 CG TYR A 18 -5.047 6.156 3.624 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.459 7.244 4.380 1.00 0.00 C ATOM 293 CD2 TYR A 18 -4.635 6.381 2.316 1.00 0.00 C ATOM 294 CE1 TYR A 18 -5.462 8.519 3.850 1.00 0.00 C ATOM 295 CE2 TYR A 18 -4.634 7.654 1.779 1.00 0.00 C ATOM 296 CZ TYR A 18 -5.047 8.720 2.551 1.00 0.00 C ATOM 297 OH TYR A 18 -5.048 9.990 2.020 1.00 0.00 O ATOM 0 H TYR A 18 -5.816 4.680 6.553 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.186 4.902 4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.405 4.748 5.089 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.608 4.076 3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.782 7.091 5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.311 5.548 1.710 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.788 9.355 4.451 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.312 7.814 0.761 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.541 9.990 1.173 1.00 0.00 H new ATOM 307 N ALA A 19 -5.930 1.896 4.706 1.00 0.00 N ATOM 308 CA ALA A 19 -6.039 0.497 4.326 1.00 0.00 C ATOM 309 C ALA A 19 -7.425 -0.035 4.655 1.00 0.00 C ATOM 310 O ALA A 19 -8.046 -0.724 3.848 1.00 0.00 O ATOM 311 CB ALA A 19 -4.971 -0.329 5.026 1.00 0.00 C ATOM 0 H ALA A 19 -5.279 2.078 5.470 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.885 0.417 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.067 -1.374 4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.984 0.039 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.095 -0.245 6.106 1.00 0.00 H new ATOM 317 N THR A 20 -7.908 0.296 5.847 1.00 0.00 N ATOM 318 CA THR A 20 -9.228 -0.146 6.278 1.00 0.00 C ATOM 319 C THR A 20 -10.327 0.538 5.475 1.00 0.00 C ATOM 320 O THR A 20 -11.464 0.070 5.449 1.00 0.00 O ATOM 321 CB THR A 20 -9.429 0.091 7.774 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.426 0.940 8.291 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.405 -1.190 8.576 1.00 0.00 C ATOM 0 H THR A 20 -7.408 0.866 6.529 1.00 0.00 H new ATOM 0 HA THR A 20 -9.290 -1.218 6.093 1.00 0.00 H new ATOM 0 HB THR A 20 -10.413 0.551 7.868 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.558 0.487 8.244 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.553 -0.961 9.631 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.202 -1.849 8.233 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.443 -1.685 8.443 1.00 0.00 H new ATOM 331 N ALA A 21 -9.986 1.635 4.804 1.00 0.00 N ATOM 332 CA ALA A 21 -10.962 2.348 3.993 1.00 0.00 C ATOM 333 C ALA A 21 -10.890 1.902 2.538 1.00 0.00 C ATOM 334 O ALA A 21 -11.674 2.348 1.701 1.00 0.00 O ATOM 335 CB ALA A 21 -10.764 3.851 4.110 1.00 0.00 C ATOM 0 H ALA A 21 -9.052 2.044 4.806 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.956 2.107 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.504 4.364 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.883 4.154 5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.763 4.114 3.768 1.00 0.00 H new ATOM 341 N LEU A 22 -9.964 0.994 2.251 1.00 0.00 N ATOM 342 CA LEU A 22 -9.812 0.454 0.908 1.00 0.00 C ATOM 343 C LEU A 22 -10.088 -1.025 0.957 1.00 0.00 C ATOM 344 O LEU A 22 -10.778 -1.576 0.098 1.00 0.00 O ATOM 345 CB LEU A 22 -8.411 0.722 0.357 1.00 0.00 C ATOM 346 CG LEU A 22 -8.133 0.104 -1.016 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.981 1.188 -2.073 1.00 0.00 C ATOM 348 CD2 LEU A 22 -6.892 -0.775 -0.966 1.00 0.00 C ATOM 0 H LEU A 22 -9.306 0.617 2.933 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.519 0.945 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.261 1.800 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.677 0.340 1.067 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.984 -0.520 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.784 0.727 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.899 1.772 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.151 1.842 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.711 -1.205 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.032 -0.174 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.042 -1.576 -0.242 1.00 0.00 H new ATOM 360 N TYR A 23 -9.583 -1.657 2.000 1.00 0.00 N ATOM 361 CA TYR A 23 -9.812 -3.055 2.199 1.00 0.00 C ATOM 362 C TYR A 23 -11.218 -3.247 2.768 1.00 0.00 C ATOM 363 O TYR A 23 -11.771 -4.340 2.702 1.00 0.00 O ATOM 364 CB TYR A 23 -8.737 -3.646 3.117 1.00 0.00 C ATOM 365 CG TYR A 23 -9.269 -4.210 4.409 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.001 -5.383 4.412 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.058 -3.561 5.615 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.506 -5.907 5.578 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.564 -4.070 6.789 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.286 -5.247 6.770 1.00 0.00 C ATOM 371 OH TYR A 23 -10.795 -5.756 7.941 1.00 0.00 O ATOM 0 H TYR A 23 -9.011 -1.213 2.718 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.746 -3.587 1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.210 -4.434 2.580 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.005 -2.872 3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.180 -5.898 3.480 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.489 -2.643 5.634 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.070 -6.828 5.562 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.397 -3.551 7.721 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.288 -5.400 8.700 1.00 0.00 H new ATOM 381 N SER A 24 -11.814 -2.166 3.305 1.00 0.00 N ATOM 382 CA SER A 24 -13.168 -2.245 3.844 1.00 0.00 C ATOM 383 C SER A 24 -14.067 -2.922 2.821 1.00 0.00 C ATOM 384 O SER A 24 -14.852 -3.812 3.152 1.00 0.00 O ATOM 385 CB SER A 24 -13.697 -0.849 4.189 1.00 0.00 C ATOM 386 OG SER A 24 -15.085 -0.739 3.919 1.00 0.00 O ATOM 0 H SER A 24 -11.381 -1.245 3.373 1.00 0.00 H new ATOM 0 HA SER A 24 -13.158 -2.830 4.763 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.512 -0.639 5.242 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.153 -0.100 3.614 1.00 0.00 H new ATOM 0 HG SER A 24 -15.393 0.162 4.151 1.00 0.00 H new ATOM 392 N ALA A 25 -13.901 -2.525 1.563 1.00 0.00 N ATOM 393 CA ALA A 25 -14.649 -3.126 0.476 1.00 0.00 C ATOM 394 C ALA A 25 -14.136 -4.539 0.265 1.00 0.00 C ATOM 395 O ALA A 25 -14.902 -5.466 0.004 1.00 0.00 O ATOM 396 CB ALA A 25 -14.511 -2.303 -0.796 1.00 0.00 C ATOM 0 H ALA A 25 -13.255 -1.790 1.276 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.709 -3.154 0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -15.081 -2.774 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.893 -1.297 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.461 -2.248 -1.082 1.00 0.00 H new ATOM 402 N ALA A 26 -12.822 -4.690 0.412 1.00 0.00 N ATOM 403 CA ALA A 26 -12.177 -5.989 0.272 1.00 0.00 C ATOM 404 C ALA A 26 -12.757 -6.990 1.268 1.00 0.00 C ATOM 405 O ALA A 26 -13.128 -8.103 0.899 1.00 0.00 O ATOM 406 CB ALA A 26 -10.677 -5.856 0.479 1.00 0.00 C ATOM 0 H ALA A 26 -12.183 -3.925 0.629 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.364 -6.358 -0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.207 -6.834 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.266 -5.172 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.481 -5.467 1.478 1.00 0.00 H new ATOM 412 N SER A 27 -12.835 -6.582 2.533 1.00 0.00 N ATOM 413 CA SER A 27 -13.373 -7.436 3.588 1.00 0.00 C ATOM 414 C SER A 27 -14.757 -7.945 3.204 1.00 0.00 C ATOM 415 O SER A 27 -15.051 -9.133 3.332 1.00 0.00 O ATOM 416 CB SER A 27 -13.441 -6.664 4.911 1.00 0.00 C ATOM 417 OG SER A 27 -14.774 -6.306 5.238 1.00 0.00 O ATOM 0 H SER A 27 -12.531 -5.662 2.852 1.00 0.00 H new ATOM 0 HA SER A 27 -12.710 -8.292 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.021 -7.274 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.829 -5.765 4.840 1.00 0.00 H new ATOM 0 HG SER A 27 -15.038 -5.519 4.718 1.00 0.00 H new ATOM 423 N LYS A 28 -15.599 -7.035 2.718 1.00 0.00 N ATOM 424 CA LYS A 28 -16.949 -7.393 2.299 1.00 0.00 C ATOM 425 C LYS A 28 -16.904 -8.589 1.356 1.00 0.00 C ATOM 426 O LYS A 28 -17.821 -9.409 1.325 1.00 0.00 O ATOM 427 CB LYS A 28 -17.628 -6.207 1.612 1.00 0.00 C ATOM 428 CG LYS A 28 -18.401 -5.312 2.567 1.00 0.00 C ATOM 429 CD LYS A 28 -18.694 -3.956 1.944 1.00 0.00 C ATOM 430 CE LYS A 28 -19.564 -4.088 0.705 1.00 0.00 C ATOM 431 NZ LYS A 28 -18.752 -4.136 -0.542 1.00 0.00 N ATOM 0 H LYS A 28 -15.369 -6.048 2.606 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.528 -7.660 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.871 -5.612 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.308 -6.582 0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.337 -5.796 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.828 -5.176 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.193 -3.319 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.757 -3.465 1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.168 -4.993 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.255 -3.247 0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.915 -3.271 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.744 -4.205 -0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.029 -4.965 -1.105 1.00 0.00 H new ATOM 445 N GLN A 29 -15.815 -8.684 0.600 1.00 0.00 N ATOM 446 CA GLN A 29 -15.624 -9.781 -0.334 1.00 0.00 C ATOM 447 C GLN A 29 -14.748 -10.857 0.291 1.00 0.00 C ATOM 448 O GLN A 29 -15.241 -11.905 0.705 1.00 0.00 O ATOM 449 CB GLN A 29 -14.990 -9.274 -1.631 1.00 0.00 C ATOM 450 CG GLN A 29 -16.003 -8.779 -2.651 1.00 0.00 C ATOM 451 CD GLN A 29 -15.391 -7.841 -3.672 1.00 0.00 C ATOM 452 OE1 GLN A 29 -14.810 -8.278 -4.665 1.00 0.00 O ATOM 453 NE2 GLN A 29 -15.519 -6.541 -3.433 1.00 0.00 N ATOM 0 H GLN A 29 -15.050 -8.010 0.618 1.00 0.00 H new ATOM 0 HA GLN A 29 -16.598 -10.211 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.299 -8.465 -1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.401 -10.076 -2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.442 -9.634 -3.166 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -16.814 -8.267 -2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.009 -6.222 -2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.128 -5.862 -4.085 1.00 0.00 H new ATOM 462 N ASN A 30 -13.447 -10.570 0.359 1.00 0.00 N ATOM 463 CA ASN A 30 -12.448 -11.480 0.935 1.00 0.00 C ATOM 464 C ASN A 30 -11.119 -11.304 0.216 1.00 0.00 C ATOM 465 O ASN A 30 -10.309 -12.229 0.150 1.00 0.00 O ATOM 466 CB ASN A 30 -12.882 -12.948 0.838 1.00 0.00 C ATOM 467 CG ASN A 30 -13.321 -13.334 -0.561 1.00 0.00 C ATOM 468 OD1 ASN A 30 -12.877 -12.748 -1.548 1.00 0.00 O ATOM 469 ND2 ASN A 30 -14.199 -14.327 -0.654 1.00 0.00 N ATOM 0 H ASN A 30 -13.052 -9.695 0.015 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.346 -11.228 1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.055 -13.589 1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.701 -13.128 1.535 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.531 -14.631 -1.570 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.541 -14.786 0.190 1.00 0.00 H new ATOM 476 N LYS A 31 -10.910 -10.114 -0.337 1.00 0.00 N ATOM 477 CA LYS A 31 -9.690 -9.821 -1.068 1.00 0.00 C ATOM 478 C LYS A 31 -8.544 -9.440 -0.137 1.00 0.00 C ATOM 479 O LYS A 31 -7.464 -9.090 -0.605 1.00 0.00 O ATOM 480 CB LYS A 31 -9.937 -8.711 -2.087 1.00 0.00 C ATOM 481 CG LYS A 31 -11.217 -8.899 -2.889 1.00 0.00 C ATOM 482 CD LYS A 31 -10.921 -9.256 -4.337 1.00 0.00 C ATOM 483 CE LYS A 31 -11.909 -8.596 -5.286 1.00 0.00 C ATOM 484 NZ LYS A 31 -11.256 -8.157 -6.550 1.00 0.00 N ATOM 0 H LYS A 31 -11.572 -9.339 -0.291 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.396 -10.730 -1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.980 -7.754 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.091 -8.663 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.819 -9.686 -2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.808 -7.984 -2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.908 -8.944 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.962 -10.338 -4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.713 -9.295 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.365 -7.736 -4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.169 -7.121 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.310 -8.585 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.832 -8.459 -7.361 1.00 0.00 H new ATOM 498 N LEU A 32 -8.764 -9.525 1.180 1.00 0.00 N ATOM 499 CA LEU A 32 -7.721 -9.209 2.151 1.00 0.00 C ATOM 500 C LEU A 32 -6.381 -9.786 1.702 1.00 0.00 C ATOM 501 O LEU A 32 -5.328 -9.216 1.965 1.00 0.00 O ATOM 502 CB LEU A 32 -8.110 -9.769 3.520 1.00 0.00 C ATOM 503 CG LEU A 32 -9.106 -8.916 4.309 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.362 -7.867 5.118 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.118 -8.263 3.373 1.00 0.00 C ATOM 0 H LEU A 32 -9.653 -9.809 1.592 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.618 -8.126 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.536 -10.763 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.206 -9.890 4.117 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.655 -9.561 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.077 -7.264 5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.681 -8.359 5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.793 -7.225 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.816 -7.661 3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.596 -7.625 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.666 -9.036 2.834 1.00 0.00 H new ATOM 517 N GLU A 33 -6.439 -10.912 1.000 1.00 0.00 N ATOM 518 CA GLU A 33 -5.231 -11.554 0.492 1.00 0.00 C ATOM 519 C GLU A 33 -4.705 -10.801 -0.727 1.00 0.00 C ATOM 520 O GLU A 33 -3.497 -10.667 -0.914 1.00 0.00 O ATOM 521 CB GLU A 33 -5.515 -13.013 0.127 1.00 0.00 C ATOM 522 CG GLU A 33 -5.304 -13.980 1.280 1.00 0.00 C ATOM 523 CD GLU A 33 -6.170 -15.219 1.167 1.00 0.00 C ATOM 524 OE1 GLU A 33 -7.410 -15.085 1.233 1.00 0.00 O ATOM 525 OE2 GLU A 33 -5.609 -16.323 1.011 1.00 0.00 O ATOM 0 H GLU A 33 -7.306 -11.398 0.770 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.472 -11.531 1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.544 -13.098 -0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.870 -13.303 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.255 -14.276 1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.523 -13.473 2.220 1.00 0.00 H new ATOM 532 N GLN A 34 -5.626 -10.303 -1.547 1.00 0.00 N ATOM 533 CA GLN A 34 -5.270 -9.550 -2.745 1.00 0.00 C ATOM 534 C GLN A 34 -5.022 -8.077 -2.424 1.00 0.00 C ATOM 535 O GLN A 34 -4.725 -7.286 -3.320 1.00 0.00 O ATOM 536 CB GLN A 34 -6.374 -9.676 -3.797 1.00 0.00 C ATOM 537 CG GLN A 34 -6.124 -10.780 -4.812 1.00 0.00 C ATOM 538 CD GLN A 34 -5.658 -10.248 -6.154 1.00 0.00 C ATOM 539 OE1 GLN A 34 -6.378 -10.329 -7.150 1.00 0.00 O ATOM 540 NE2 GLN A 34 -4.450 -9.699 -6.187 1.00 0.00 N ATOM 0 H GLN A 34 -6.630 -10.408 -1.402 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.346 -9.971 -3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.323 -9.864 -3.295 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.474 -8.726 -4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.375 -11.467 -4.418 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.040 -11.354 -4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.887 -9.653 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.084 -9.323 -7.062 1.00 0.00 H new ATOM 549 N VAL A 35 -5.146 -7.708 -1.151 1.00 0.00 N ATOM 550 CA VAL A 35 -4.933 -6.323 -0.745 1.00 0.00 C ATOM 551 C VAL A 35 -3.922 -6.219 0.396 1.00 0.00 C ATOM 552 O VAL A 35 -3.202 -5.227 0.508 1.00 0.00 O ATOM 553 CB VAL A 35 -6.251 -5.630 -0.319 1.00 0.00 C ATOM 554 CG1 VAL A 35 -6.274 -4.193 -0.812 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.481 -6.388 -0.823 1.00 0.00 C ATOM 0 H VAL A 35 -5.390 -8.342 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.537 -5.811 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.289 -5.633 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.206 -3.718 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.432 -3.648 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.201 -4.180 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.385 -5.869 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.457 -6.437 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.479 -7.398 -0.414 1.00 0.00 H new ATOM 565 N GLU A 36 -3.861 -7.249 1.230 1.00 0.00 N ATOM 566 CA GLU A 36 -2.923 -7.270 2.348 1.00 0.00 C ATOM 567 C GLU A 36 -1.582 -7.802 1.878 1.00 0.00 C ATOM 568 O GLU A 36 -0.528 -7.290 2.255 1.00 0.00 O ATOM 569 CB GLU A 36 -3.449 -8.137 3.494 1.00 0.00 C ATOM 570 CG GLU A 36 -2.856 -7.779 4.847 1.00 0.00 C ATOM 571 CD GLU A 36 -1.635 -8.611 5.188 1.00 0.00 C ATOM 572 OE1 GLU A 36 -1.616 -9.809 4.836 1.00 0.00 O ATOM 573 OE2 GLU A 36 -0.699 -8.064 5.807 1.00 0.00 O ATOM 0 H GLU A 36 -4.448 -8.080 1.155 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.807 -6.251 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.533 -8.040 3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.233 -9.183 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.585 -6.723 4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.613 -7.918 5.619 1.00 0.00 H new ATOM 580 N LYS A 37 -1.632 -8.824 1.033 1.00 0.00 N ATOM 581 CA LYS A 37 -0.422 -9.411 0.491 1.00 0.00 C ATOM 582 C LYS A 37 0.233 -8.420 -0.450 1.00 0.00 C ATOM 583 O LYS A 37 1.458 -8.334 -0.523 1.00 0.00 O ATOM 584 CB LYS A 37 -0.725 -10.721 -0.239 1.00 0.00 C ATOM 585 CG LYS A 37 -1.494 -11.723 0.606 1.00 0.00 C ATOM 586 CD LYS A 37 -0.652 -12.240 1.761 1.00 0.00 C ATOM 587 CE LYS A 37 -1.242 -13.508 2.357 1.00 0.00 C ATOM 588 NZ LYS A 37 -0.535 -13.920 3.600 1.00 0.00 N ATOM 0 H LYS A 37 -2.496 -9.260 0.711 1.00 0.00 H new ATOM 0 HA LYS A 37 0.258 -9.640 1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.299 -10.501 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.213 -11.173 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.398 -11.255 0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.811 -12.559 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.362 -12.438 1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.581 -11.473 2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.298 -13.349 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.187 -14.313 1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.968 -14.788 3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.467 -14.097 3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.609 -13.163 4.309 1.00 0.00 H new ATOM 602 N GLU A 38 -0.592 -7.646 -1.150 1.00 0.00 N ATOM 603 CA GLU A 38 -0.075 -6.643 -2.051 1.00 0.00 C ATOM 604 C GLU A 38 0.574 -5.528 -1.246 1.00 0.00 C ATOM 605 O GLU A 38 1.730 -5.180 -1.472 1.00 0.00 O ATOM 606 CB GLU A 38 -1.202 -6.094 -2.919 1.00 0.00 C ATOM 607 CG GLU A 38 -1.331 -6.796 -4.260 1.00 0.00 C ATOM 608 CD GLU A 38 -1.636 -8.274 -4.114 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.795 -9.001 -3.544 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.717 -8.703 -4.567 1.00 0.00 O ATOM 0 H GLU A 38 -1.610 -7.699 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 38 0.675 -7.089 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.144 -6.185 -2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.034 -5.031 -3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.121 -6.321 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.405 -6.673 -4.822 1.00 0.00 H new ATOM 617 N LEU A 39 -0.172 -4.983 -0.288 1.00 0.00 N ATOM 618 CA LEU A 39 0.334 -3.913 0.566 1.00 0.00 C ATOM 619 C LEU A 39 1.722 -4.252 1.098 1.00 0.00 C ATOM 620 O LEU A 39 2.551 -3.366 1.307 1.00 0.00 O ATOM 621 CB LEU A 39 -0.630 -3.666 1.728 1.00 0.00 C ATOM 622 CG LEU A 39 -1.408 -2.352 1.648 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.735 -2.561 0.933 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.634 -1.778 3.040 1.00 0.00 C ATOM 0 H LEU A 39 -1.131 -5.266 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 39 0.410 -3.005 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.341 -4.491 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.065 -3.681 2.660 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.818 -1.637 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.275 -1.616 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.550 -2.925 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.331 -3.292 1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.189 -0.843 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.203 -2.489 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.672 -1.590 3.517 1.00 0.00 H new ATOM 636 N LEU A 40 1.971 -5.541 1.310 1.00 0.00 N ATOM 637 CA LEU A 40 3.264 -5.991 1.811 1.00 0.00 C ATOM 638 C LEU A 40 4.384 -5.601 0.848 1.00 0.00 C ATOM 639 O LEU A 40 5.544 -5.485 1.246 1.00 0.00 O ATOM 640 CB LEU A 40 3.255 -7.507 2.023 1.00 0.00 C ATOM 641 CG LEU A 40 3.023 -7.956 3.466 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.404 -9.346 3.499 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.328 -7.934 4.247 1.00 0.00 C ATOM 0 H LEU A 40 1.297 -6.289 1.143 1.00 0.00 H new ATOM 0 HA LEU A 40 3.447 -5.503 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.479 -7.942 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.207 -7.912 1.681 1.00 0.00 H new ATOM 0 HG LEU A 40 2.329 -7.259 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.246 -9.649 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.448 -9.331 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.074 -10.054 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.144 -8.256 5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.044 -8.608 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.732 -6.922 4.252 1.00 0.00 H new ATOM 655 N ARG A 41 4.030 -5.398 -0.418 1.00 0.00 N ATOM 656 CA ARG A 41 5.004 -5.020 -1.436 1.00 0.00 C ATOM 657 C ARG A 41 5.517 -3.603 -1.204 1.00 0.00 C ATOM 658 O ARG A 41 6.725 -3.375 -1.132 1.00 0.00 O ATOM 659 CB ARG A 41 4.390 -5.131 -2.832 1.00 0.00 C ATOM 660 CG ARG A 41 4.423 -6.537 -3.408 1.00 0.00 C ATOM 661 CD ARG A 41 3.838 -7.557 -2.443 1.00 0.00 C ATOM 662 NE ARG A 41 4.857 -8.131 -1.567 1.00 0.00 N ATOM 663 CZ ARG A 41 4.674 -9.227 -0.836 1.00 0.00 C ATOM 664 NH1 ARG A 41 3.515 -9.873 -0.873 1.00 0.00 N ATOM 665 NH2 ARG A 41 5.653 -9.682 -0.066 1.00 0.00 N ATOM 0 H ARG A 41 3.075 -5.489 -0.763 1.00 0.00 H new ATOM 0 HA ARG A 41 5.847 -5.707 -1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.356 -4.789 -2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.921 -4.460 -3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.864 -6.560 -4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.452 -6.809 -3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.066 -7.082 -1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.355 -8.354 -3.008 1.00 0.00 H new ATOM 0 HE ARG A 41 5.762 -7.664 -1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.758 -9.529 -1.464 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.381 -10.713 -0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.547 -9.191 -0.034 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.512 -10.523 0.494 1.00 0.00 H new ATOM 679 N VAL A 42 4.595 -2.653 -1.087 1.00 0.00 N ATOM 680 CA VAL A 42 4.962 -1.259 -0.863 1.00 0.00 C ATOM 681 C VAL A 42 5.780 -1.108 0.416 1.00 0.00 C ATOM 682 O VAL A 42 6.584 -0.184 0.543 1.00 0.00 O ATOM 683 CB VAL A 42 3.714 -0.351 -0.786 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.106 1.083 -0.455 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.934 -0.402 -2.092 1.00 0.00 C ATOM 0 H VAL A 42 3.591 -2.822 -1.143 1.00 0.00 H new ATOM 0 HA VAL A 42 5.568 -0.947 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 42 3.074 -0.722 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.211 1.703 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.617 1.108 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.771 1.466 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.059 0.244 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.570 -0.060 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.614 -1.426 -2.285 1.00 0.00 H new ATOM 695 N GLY A 43 5.577 -2.022 1.358 1.00 0.00 N ATOM 696 CA GLY A 43 6.311 -1.969 2.607 1.00 0.00 C ATOM 697 C GLY A 43 7.731 -2.469 2.456 1.00 0.00 C ATOM 698 O GLY A 43 8.664 -1.893 3.018 1.00 0.00 O ATOM 0 H GLY A 43 4.919 -2.797 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.326 -0.943 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.794 -2.569 3.356 1.00 0.00 H new ATOM 702 N GLN A 44 7.899 -3.540 1.688 1.00 0.00 N ATOM 703 CA GLN A 44 9.218 -4.111 1.456 1.00 0.00 C ATOM 704 C GLN A 44 10.013 -3.240 0.491 1.00 0.00 C ATOM 705 O GLN A 44 11.233 -3.122 0.606 1.00 0.00 O ATOM 706 CB GLN A 44 9.095 -5.532 0.902 1.00 0.00 C ATOM 707 CG GLN A 44 10.375 -6.344 1.022 1.00 0.00 C ATOM 708 CD GLN A 44 10.586 -6.896 2.418 1.00 0.00 C ATOM 709 OE1 GLN A 44 11.615 -6.647 3.046 1.00 0.00 O ATOM 710 NE2 GLN A 44 9.611 -7.650 2.910 1.00 0.00 N ATOM 0 H GLN A 44 7.138 -4.029 1.216 1.00 0.00 H new ATOM 0 HA GLN A 44 9.747 -4.151 2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.295 -6.051 1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.804 -5.480 -0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.346 -7.169 0.310 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.225 -5.718 0.750 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.775 -7.830 2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.697 -8.049 3.845 1.00 0.00 H new ATOM 719 N ILE A 45 9.311 -2.624 -0.455 1.00 0.00 N ATOM 720 CA ILE A 45 9.950 -1.755 -1.431 1.00 0.00 C ATOM 721 C ILE A 45 10.457 -0.483 -0.763 1.00 0.00 C ATOM 722 O ILE A 45 11.551 -0.007 -1.060 1.00 0.00 O ATOM 723 CB ILE A 45 8.979 -1.386 -2.573 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.462 -2.653 -3.256 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.656 -0.472 -3.586 1.00 0.00 C ATOM 726 CD1 ILE A 45 7.068 -2.507 -3.825 1.00 0.00 C ATOM 0 H ILE A 45 8.301 -2.712 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 45 10.793 -2.301 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 45 8.133 -0.848 -2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.146 -2.928 -4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.468 -3.472 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.952 -0.226 -4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.979 0.444 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.522 -0.979 -4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.767 -3.444 -4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.372 -2.262 -3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.060 -1.710 -4.569 1.00 0.00 H new ATOM 738 N LEU A 46 9.657 0.061 0.147 1.00 0.00 N ATOM 739 CA LEU A 46 10.034 1.274 0.858 1.00 0.00 C ATOM 740 C LEU A 46 11.168 0.989 1.835 1.00 0.00 C ATOM 741 O LEU A 46 12.140 1.741 1.913 1.00 0.00 O ATOM 742 CB LEU A 46 8.830 1.845 1.606 1.00 0.00 C ATOM 743 CG LEU A 46 8.054 2.925 0.855 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.909 4.170 0.674 1.00 0.00 C ATOM 745 CD2 LEU A 46 7.577 2.402 -0.492 1.00 0.00 C ATOM 0 H LEU A 46 8.747 -0.318 0.408 1.00 0.00 H new ATOM 0 HA LEU A 46 10.378 2.008 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.148 1.028 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.174 2.259 2.554 1.00 0.00 H new ATOM 0 HG LEU A 46 7.179 3.194 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.339 4.928 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.198 4.558 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.803 3.918 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.026 3.186 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.437 2.104 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.926 1.542 -0.338 1.00 0.00 H new ATOM 757 N LYS A 47 11.037 -0.106 2.574 1.00 0.00 N ATOM 758 CA LYS A 47 12.051 -0.500 3.543 1.00 0.00 C ATOM 759 C LYS A 47 13.298 -1.027 2.841 1.00 0.00 C ATOM 760 O LYS A 47 14.385 -1.051 3.419 1.00 0.00 O ATOM 761 CB LYS A 47 11.495 -1.566 4.490 1.00 0.00 C ATOM 762 CG LYS A 47 12.163 -1.575 5.855 1.00 0.00 C ATOM 763 CD LYS A 47 13.373 -2.494 5.877 1.00 0.00 C ATOM 764 CE LYS A 47 13.034 -3.848 6.480 1.00 0.00 C ATOM 765 NZ LYS A 47 14.233 -4.722 6.595 1.00 0.00 N ATOM 0 H LYS A 47 10.238 -0.737 2.520 1.00 0.00 H new ATOM 0 HA LYS A 47 12.327 0.381 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.425 -1.403 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.614 -2.547 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.469 -0.562 6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.446 -1.898 6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.746 -2.630 4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.174 -2.029 6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.593 -3.706 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.283 -4.342 5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.958 -5.635 7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.640 -4.880 5.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.940 -4.263 7.204 1.00 0.00 H new ATOM 779 N GLU A 48 13.135 -1.449 1.588 1.00 0.00 N ATOM 780 CA GLU A 48 14.247 -1.975 0.807 1.00 0.00 C ATOM 781 C GLU A 48 15.380 -0.952 0.716 1.00 0.00 C ATOM 782 O GLU A 48 15.135 0.237 0.513 1.00 0.00 O ATOM 783 CB GLU A 48 13.774 -2.357 -0.598 1.00 0.00 C ATOM 784 CG GLU A 48 13.566 -3.850 -0.787 1.00 0.00 C ATOM 785 CD GLU A 48 14.866 -4.598 -1.009 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.774 -4.031 -1.653 1.00 0.00 O ATOM 787 OE2 GLU A 48 14.976 -5.749 -0.540 1.00 0.00 O ATOM 0 H GLU A 48 12.243 -1.436 1.094 1.00 0.00 H new ATOM 0 HA GLU A 48 14.625 -2.865 1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.839 -1.839 -0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.505 -2.006 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.063 -4.257 0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.906 -4.016 -1.638 1.00 0.00 H new ATOM 794 N PRO A 49 16.640 -1.400 0.862 1.00 0.00 N ATOM 795 CA PRO A 49 17.803 -0.513 0.793 1.00 0.00 C ATOM 796 C PRO A 49 18.116 -0.081 -0.635 1.00 0.00 C ATOM 797 O PRO A 49 18.681 0.990 -0.861 1.00 0.00 O ATOM 798 CB PRO A 49 18.934 -1.375 1.352 1.00 0.00 C ATOM 799 CG PRO A 49 18.532 -2.773 1.032 1.00 0.00 C ATOM 800 CD PRO A 49 17.029 -2.804 1.107 1.00 0.00 C ATOM 0 HA PRO A 49 17.645 0.415 1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.890 -1.122 0.893 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.049 -1.231 2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 49 18.878 -3.060 0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.972 -3.476 1.739 1.00 0.00 H new ATOM 0 HD2 PRO A 49 16.604 -3.474 0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.683 -3.152 2.080 1.00 0.00 H new ATOM 808 N LYS A 50 17.746 -0.919 -1.596 1.00 0.00 N ATOM 809 CA LYS A 50 17.987 -0.624 -3.004 1.00 0.00 C ATOM 810 C LYS A 50 16.920 0.319 -3.554 1.00 0.00 C ATOM 811 O LYS A 50 17.187 1.114 -4.454 1.00 0.00 O ATOM 812 CB LYS A 50 18.012 -1.917 -3.821 1.00 0.00 C ATOM 813 CG LYS A 50 16.679 -2.647 -3.847 1.00 0.00 C ATOM 814 CD LYS A 50 15.939 -2.413 -5.155 1.00 0.00 C ATOM 815 CE LYS A 50 16.728 -2.941 -6.343 1.00 0.00 C ATOM 816 NZ LYS A 50 15.838 -3.363 -7.458 1.00 0.00 N ATOM 0 H LYS A 50 17.278 -1.809 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 50 18.957 -0.133 -3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.310 -1.685 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.773 -2.581 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.846 -3.715 -3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 50 16.062 -2.310 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.966 -2.903 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 50 15.754 -1.347 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.411 -2.169 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.339 -3.787 -6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.415 -3.716 -8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.203 -4.118 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.273 -2.550 -7.778 1.00 0.00 H new ATOM 830 N MET A 51 15.713 0.224 -3.005 1.00 0.00 N ATOM 831 CA MET A 51 14.609 1.068 -3.444 1.00 0.00 C ATOM 832 C MET A 51 14.466 2.299 -2.551 1.00 0.00 C ATOM 833 O MET A 51 13.932 3.324 -2.973 1.00 0.00 O ATOM 834 CB MET A 51 13.302 0.275 -3.456 1.00 0.00 C ATOM 835 CG MET A 51 12.656 0.197 -4.830 1.00 0.00 C ATOM 836 SD MET A 51 12.711 -1.461 -5.536 1.00 0.00 S ATOM 837 CE MET A 51 12.006 -2.416 -4.196 1.00 0.00 C ATOM 0 H MET A 51 15.476 -0.428 -2.257 1.00 0.00 H new ATOM 0 HA MET A 51 14.829 1.405 -4.457 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.495 -0.735 -3.096 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.601 0.733 -2.759 1.00 0.00 H new ATOM 0 HG2 MET A 51 11.618 0.521 -4.757 1.00 0.00 H new ATOM 0 HG3 MET A 51 13.160 0.890 -5.503 1.00 0.00 H new ATOM 0 HE1 MET A 51 12.742 -3.134 -3.835 1.00 0.00 H new ATOM 0 HE2 MET A 51 11.722 -1.748 -3.383 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.125 -2.948 -4.553 1.00 0.00 H new ATOM 847 N ALA A 52 14.944 2.191 -1.313 1.00 0.00 N ATOM 848 CA ALA A 52 14.865 3.297 -0.365 1.00 0.00 C ATOM 849 C ALA A 52 15.507 4.559 -0.933 1.00 0.00 C ATOM 850 O ALA A 52 15.110 5.675 -0.594 1.00 0.00 O ATOM 851 CB ALA A 52 15.526 2.912 0.950 1.00 0.00 C ATOM 0 H ALA A 52 15.389 1.350 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 52 13.812 3.510 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.460 3.746 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.019 2.045 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.574 2.669 0.773 1.00 0.00 H new ATOM 857 N ALA A 53 16.499 4.375 -1.798 1.00 0.00 N ATOM 858 CA ALA A 53 17.195 5.498 -2.412 1.00 0.00 C ATOM 859 C ALA A 53 16.436 6.015 -3.631 1.00 0.00 C ATOM 860 O ALA A 53 16.539 7.190 -3.985 1.00 0.00 O ATOM 861 CB ALA A 53 18.609 5.095 -2.800 1.00 0.00 C ATOM 0 H ALA A 53 16.838 3.458 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 53 17.247 6.304 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.117 5.944 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.155 4.782 -1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.570 4.270 -3.511 1.00 0.00 H new ATOM 867 N SER A 54 15.677 5.131 -4.270 1.00 0.00 N ATOM 868 CA SER A 54 14.903 5.501 -5.450 1.00 0.00 C ATOM 869 C SER A 54 13.505 5.980 -5.069 1.00 0.00 C ATOM 870 O SER A 54 12.857 6.697 -5.830 1.00 0.00 O ATOM 871 CB SER A 54 14.800 4.319 -6.409 1.00 0.00 C ATOM 872 OG SER A 54 15.925 3.466 -6.295 1.00 0.00 O ATOM 0 H SER A 54 15.581 4.155 -3.991 1.00 0.00 H new ATOM 0 HA SER A 54 15.423 6.322 -5.944 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.891 3.756 -6.199 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.720 4.684 -7.433 1.00 0.00 H new ATOM 0 HG SER A 54 15.832 2.716 -6.919 1.00 0.00 H new ATOM 878 N LEU A 55 13.042 5.578 -3.890 1.00 0.00 N ATOM 879 CA LEU A 55 11.721 5.972 -3.418 1.00 0.00 C ATOM 880 C LEU A 55 11.825 7.154 -2.462 1.00 0.00 C ATOM 881 O LEU A 55 11.006 7.308 -1.555 1.00 0.00 O ATOM 882 CB LEU A 55 11.032 4.794 -2.724 1.00 0.00 C ATOM 883 CG LEU A 55 10.151 3.934 -3.634 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.279 2.464 -3.268 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.701 4.383 -3.549 1.00 0.00 C ATOM 0 H LEU A 55 13.561 4.981 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 55 11.124 6.272 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.796 4.158 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.420 5.179 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 55 10.490 4.061 -4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.646 1.869 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.317 2.150 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.967 2.318 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.089 3.761 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.350 4.286 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.624 5.424 -3.862 1.00 0.00 H new ATOM 897 N LEU A 56 12.842 7.986 -2.668 1.00 0.00 N ATOM 898 CA LEU A 56 13.054 9.153 -1.819 1.00 0.00 C ATOM 899 C LEU A 56 13.801 10.266 -2.557 1.00 0.00 C ATOM 900 O LEU A 56 13.679 11.438 -2.200 1.00 0.00 O ATOM 901 CB LEU A 56 13.831 8.755 -0.563 1.00 0.00 C ATOM 902 CG LEU A 56 14.077 9.891 0.432 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.035 9.370 1.860 1.00 0.00 C ATOM 904 CD2 LEU A 56 15.411 10.566 0.147 1.00 0.00 C ATOM 0 H LEU A 56 13.530 7.874 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 56 12.073 9.537 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.287 7.958 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.793 8.342 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 56 13.284 10.630 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.212 10.193 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.057 8.932 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.806 8.611 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.571 11.372 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.215 9.835 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.403 10.975 -0.863 1.00 0.00 H new ATOM 916 N ASN A 57 14.577 9.904 -3.579 1.00 0.00 N ATOM 917 CA ASN A 57 15.337 10.893 -4.341 1.00 0.00 C ATOM 918 C ASN A 57 14.442 12.046 -4.800 1.00 0.00 C ATOM 919 O ASN A 57 13.285 11.835 -5.164 1.00 0.00 O ATOM 920 CB ASN A 57 16.012 10.236 -5.548 1.00 0.00 C ATOM 921 CG ASN A 57 15.017 9.782 -6.598 1.00 0.00 C ATOM 922 OD1 ASN A 57 14.751 10.490 -7.568 1.00 0.00 O ATOM 923 ND2 ASN A 57 14.461 8.592 -6.407 1.00 0.00 N ATOM 0 H ASN A 57 14.695 8.942 -3.896 1.00 0.00 H new ATOM 0 HA ASN A 57 16.106 11.301 -3.685 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.711 10.941 -5.997 1.00 0.00 H new ATOM 0 HB3 ASN A 57 16.595 9.379 -5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.784 8.232 -7.079 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.711 8.038 -5.588 1.00 0.00 H new ATOM 930 N PRO A 58 14.964 13.288 -4.784 1.00 0.00 N ATOM 931 CA PRO A 58 14.202 14.476 -5.195 1.00 0.00 C ATOM 932 C PRO A 58 13.837 14.465 -6.679 1.00 0.00 C ATOM 933 O PRO A 58 13.046 15.290 -7.136 1.00 0.00 O ATOM 934 CB PRO A 58 15.150 15.646 -4.895 1.00 0.00 C ATOM 935 CG PRO A 58 16.200 15.089 -3.996 1.00 0.00 C ATOM 936 CD PRO A 58 16.328 13.639 -4.360 1.00 0.00 C ATOM 0 HA PRO A 58 13.249 14.533 -4.668 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.588 16.041 -5.812 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.619 16.468 -4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 58 17.147 15.611 -4.132 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.920 15.205 -2.949 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.052 13.485 -5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.656 13.037 -3.513 1.00 0.00 H new ATOM 944 N TYR A 59 14.422 13.537 -7.430 1.00 0.00 N ATOM 945 CA TYR A 59 14.158 13.435 -8.861 1.00 0.00 C ATOM 946 C TYR A 59 12.883 12.640 -9.138 1.00 0.00 C ATOM 947 O TYR A 59 12.283 12.770 -10.205 1.00 0.00 O ATOM 948 CB TYR A 59 15.348 12.786 -9.571 1.00 0.00 C ATOM 949 CG TYR A 59 16.676 13.410 -9.207 1.00 0.00 C ATOM 950 CD1 TYR A 59 17.315 13.087 -8.017 1.00 0.00 C ATOM 951 CD2 TYR A 59 17.288 14.328 -10.051 1.00 0.00 C ATOM 952 CE1 TYR A 59 18.524 13.660 -7.678 1.00 0.00 C ATOM 953 CE2 TYR A 59 18.499 14.905 -9.721 1.00 0.00 C ATOM 954 CZ TYR A 59 19.113 14.568 -8.532 1.00 0.00 C ATOM 955 OH TYR A 59 20.318 15.141 -8.199 1.00 0.00 O ATOM 0 H TYR A 59 15.081 12.846 -7.072 1.00 0.00 H new ATOM 0 HA TYR A 59 14.015 14.444 -9.248 1.00 0.00 H new ATOM 0 HB2 TYR A 59 15.374 11.724 -9.325 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.203 12.860 -10.649 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.858 12.375 -7.345 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.809 14.595 -10.981 1.00 0.00 H new ATOM 0 HE1 TYR A 59 19.006 13.398 -6.748 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.962 15.616 -10.389 1.00 0.00 H new ATOM 0 HH TYR A 59 20.595 15.757 -8.909 1.00 0.00 H new ATOM 965 N VAL A 60 12.471 11.821 -8.176 1.00 0.00 N ATOM 966 CA VAL A 60 11.266 11.014 -8.328 1.00 0.00 C ATOM 967 C VAL A 60 10.033 11.774 -7.848 1.00 0.00 C ATOM 968 O VAL A 60 9.322 11.325 -6.948 1.00 0.00 O ATOM 969 CB VAL A 60 11.380 9.683 -7.557 1.00 0.00 C ATOM 970 CG1 VAL A 60 11.532 9.935 -6.063 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.173 8.800 -7.838 1.00 0.00 C ATOM 0 H VAL A 60 12.952 11.699 -7.285 1.00 0.00 H new ATOM 0 HA VAL A 60 11.159 10.796 -9.391 1.00 0.00 H new ATOM 0 HB VAL A 60 12.273 9.162 -7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.611 8.982 -5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.432 10.523 -5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.663 10.480 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.270 7.865 -7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.265 9.314 -7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.119 8.587 -8.906 1.00 0.00 H new ATOM 981 N LYS A 61 9.784 12.929 -8.455 1.00 0.00 N ATOM 982 CA LYS A 61 8.638 13.754 -8.090 1.00 0.00 C ATOM 983 C LYS A 61 7.329 13.009 -8.331 1.00 0.00 C ATOM 984 O LYS A 61 7.331 11.839 -8.715 1.00 0.00 O ATOM 985 CB LYS A 61 8.651 15.062 -8.884 1.00 0.00 C ATOM 986 CG LYS A 61 8.297 16.283 -8.052 1.00 0.00 C ATOM 987 CD LYS A 61 7.609 17.349 -8.892 1.00 0.00 C ATOM 988 CE LYS A 61 6.136 17.035 -9.093 1.00 0.00 C ATOM 989 NZ LYS A 61 5.317 17.429 -7.914 1.00 0.00 N ATOM 0 H LYS A 61 10.361 13.315 -9.202 1.00 0.00 H new ATOM 0 HA LYS A 61 8.711 13.983 -7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.641 15.203 -9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.948 14.981 -9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.644 15.988 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.202 16.697 -7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.712 18.319 -8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.102 17.424 -9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.772 17.556 -9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.015 15.968 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.311 17.261 -8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.602 16.864 -7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.465 18.438 -7.710 1.00 0.00 H new ATOM 1003 N ARG A 62 6.213 13.696 -8.105 1.00 0.00 N ATOM 1004 CA ARG A 62 4.895 13.101 -8.298 1.00 0.00 C ATOM 1005 C ARG A 62 4.738 12.577 -9.722 1.00 0.00 C ATOM 1006 O ARG A 62 5.449 13.004 -10.631 1.00 0.00 O ATOM 1007 CB ARG A 62 3.801 14.125 -7.997 1.00 0.00 C ATOM 1008 CG ARG A 62 3.402 14.176 -6.531 1.00 0.00 C ATOM 1009 CD ARG A 62 2.145 13.362 -6.267 1.00 0.00 C ATOM 1010 NE ARG A 62 0.932 14.100 -6.611 1.00 0.00 N ATOM 1011 CZ ARG A 62 0.512 15.181 -5.958 1.00 0.00 C ATOM 1012 NH1 ARG A 62 1.202 15.653 -4.927 1.00 0.00 N ATOM 1013 NH2 ARG A 62 -0.601 15.792 -6.337 1.00 0.00 N ATOM 0 H ARG A 62 6.195 14.665 -7.788 1.00 0.00 H new ATOM 0 HA ARG A 62 4.798 12.263 -7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.144 15.112 -8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.921 13.891 -8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.219 13.796 -5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.235 15.211 -6.234 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.183 12.438 -6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.111 13.079 -5.215 1.00 0.00 H new ATOM 0 HE ARG A 62 0.374 13.767 -7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.060 15.187 -4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.875 16.482 -4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.135 15.434 -7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.924 16.621 -5.837 1.00 0.00 H new ATOM 1027 N SER A 63 3.804 11.645 -9.907 1.00 0.00 N ATOM 1028 CA SER A 63 3.549 11.052 -11.219 1.00 0.00 C ATOM 1029 C SER A 63 4.612 10.013 -11.567 1.00 0.00 C ATOM 1030 O SER A 63 4.293 8.864 -11.872 1.00 0.00 O ATOM 1031 CB SER A 63 3.497 12.131 -12.305 1.00 0.00 C ATOM 1032 OG SER A 63 2.623 11.758 -13.355 1.00 0.00 O ATOM 0 H SER A 63 3.209 11.283 -9.162 1.00 0.00 H new ATOM 0 HA SER A 63 2.580 10.555 -11.173 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.165 13.074 -11.869 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.498 12.299 -12.703 1.00 0.00 H new ATOM 0 HG SER A 63 2.607 12.465 -14.034 1.00 0.00 H new ATOM 1038 N VAL A 64 5.877 10.424 -11.520 1.00 0.00 N ATOM 1039 CA VAL A 64 6.987 9.530 -11.829 1.00 0.00 C ATOM 1040 C VAL A 64 6.877 8.219 -11.056 1.00 0.00 C ATOM 1041 O VAL A 64 6.817 7.142 -11.649 1.00 0.00 O ATOM 1042 CB VAL A 64 8.343 10.190 -11.510 1.00 0.00 C ATOM 1043 CG1 VAL A 64 9.493 9.306 -11.968 1.00 0.00 C ATOM 1044 CG2 VAL A 64 8.429 11.566 -12.155 1.00 0.00 C ATOM 0 H VAL A 64 6.158 11.372 -11.270 1.00 0.00 H new ATOM 0 HA VAL A 64 6.933 9.320 -12.897 1.00 0.00 H new ATOM 0 HB VAL A 64 8.421 10.312 -10.430 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.441 9.791 -11.733 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.440 8.345 -11.455 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.424 9.147 -13.044 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.392 12.018 -11.920 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.328 11.468 -13.236 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.628 12.198 -11.772 1.00 0.00 H new ATOM 1054 N LYS A 65 6.847 8.317 -9.731 1.00 0.00 N ATOM 1055 CA LYS A 65 6.740 7.135 -8.883 1.00 0.00 C ATOM 1056 C LYS A 65 5.469 6.355 -9.204 1.00 0.00 C ATOM 1057 O LYS A 65 5.435 5.129 -9.094 1.00 0.00 O ATOM 1058 CB LYS A 65 6.751 7.538 -7.405 1.00 0.00 C ATOM 1059 CG LYS A 65 7.751 6.757 -6.568 1.00 0.00 C ATOM 1060 CD LYS A 65 7.529 5.255 -6.684 1.00 0.00 C ATOM 1061 CE LYS A 65 8.653 4.581 -7.455 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.312 3.180 -7.824 1.00 0.00 N ATOM 0 H LYS A 65 6.895 9.200 -9.222 1.00 0.00 H new ATOM 0 HA LYS A 65 7.599 6.494 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.978 8.601 -7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.753 7.395 -6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.764 7.001 -6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.666 7.058 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.458 4.819 -5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.579 5.065 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.867 5.152 -8.358 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.561 4.587 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.180 2.668 -8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.860 2.708 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.658 3.183 -8.633 1.00 0.00 H new ATOM 1076 N VAL A 66 4.426 7.075 -9.605 1.00 0.00 N ATOM 1077 CA VAL A 66 3.154 6.451 -9.946 1.00 0.00 C ATOM 1078 C VAL A 66 3.270 5.642 -11.231 1.00 0.00 C ATOM 1079 O VAL A 66 2.745 4.533 -11.327 1.00 0.00 O ATOM 1080 CB VAL A 66 2.038 7.502 -10.110 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.690 6.824 -10.310 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.999 8.435 -8.909 1.00 0.00 C ATOM 0 H VAL A 66 4.437 8.090 -9.701 1.00 0.00 H new ATOM 0 HA VAL A 66 2.895 5.786 -9.122 1.00 0.00 H new ATOM 0 HB VAL A 66 2.255 8.098 -10.996 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.085 7.582 -10.424 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.724 6.203 -11.205 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.464 6.201 -9.445 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.205 9.169 -9.044 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.808 7.857 -8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.956 8.949 -8.816 1.00 0.00 H new ATOM 1092 N LYS A 67 3.963 6.201 -12.218 1.00 0.00 N ATOM 1093 CA LYS A 67 4.149 5.524 -13.496 1.00 0.00 C ATOM 1094 C LYS A 67 5.078 4.327 -13.338 1.00 0.00 C ATOM 1095 O LYS A 67 4.842 3.265 -13.914 1.00 0.00 O ATOM 1096 CB LYS A 67 4.716 6.494 -14.536 1.00 0.00 C ATOM 1097 CG LYS A 67 4.289 6.176 -15.960 1.00 0.00 C ATOM 1098 CD LYS A 67 5.183 5.118 -16.586 1.00 0.00 C ATOM 1099 CE LYS A 67 4.479 4.394 -17.721 1.00 0.00 C ATOM 1100 NZ LYS A 67 3.886 3.104 -17.273 1.00 0.00 N ATOM 0 H LYS A 67 4.404 7.119 -12.158 1.00 0.00 H new ATOM 0 HA LYS A 67 3.177 5.168 -13.839 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.398 7.507 -14.288 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.804 6.479 -14.480 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.256 5.829 -15.962 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.321 7.084 -16.562 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.094 5.585 -16.961 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.484 4.398 -15.825 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.695 5.032 -18.128 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.188 4.207 -18.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.415 2.641 -18.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.638 2.485 -16.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.191 3.284 -16.521 1.00 0.00 H new ATOM 1114 N SER A 68 6.132 4.504 -12.550 1.00 0.00 N ATOM 1115 CA SER A 68 7.094 3.437 -12.310 1.00 0.00 C ATOM 1116 C SER A 68 6.476 2.347 -11.441 1.00 0.00 C ATOM 1117 O SER A 68 6.800 1.168 -11.580 1.00 0.00 O ATOM 1118 CB SER A 68 8.352 3.993 -11.641 1.00 0.00 C ATOM 1119 OG SER A 68 9.080 2.970 -10.983 1.00 0.00 O ATOM 0 H SER A 68 6.342 5.377 -12.066 1.00 0.00 H new ATOM 0 HA SER A 68 7.371 3.002 -13.270 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.985 4.469 -12.390 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.074 4.764 -10.923 1.00 0.00 H new ATOM 0 HG SER A 68 9.879 3.354 -10.566 1.00 0.00 H new ATOM 1125 N LEU A 69 5.580 2.751 -10.546 1.00 0.00 N ATOM 1126 CA LEU A 69 4.911 1.810 -9.656 1.00 0.00 C ATOM 1127 C LEU A 69 3.961 0.911 -10.439 1.00 0.00 C ATOM 1128 O LEU A 69 3.751 -0.245 -10.080 1.00 0.00 O ATOM 1129 CB LEU A 69 4.142 2.563 -8.568 1.00 0.00 C ATOM 1130 CG LEU A 69 4.908 2.776 -7.262 1.00 0.00 C ATOM 1131 CD1 LEU A 69 4.418 4.030 -6.554 1.00 0.00 C ATOM 1132 CD2 LEU A 69 4.763 1.561 -6.357 1.00 0.00 C ATOM 0 H LEU A 69 5.301 3.724 -10.418 1.00 0.00 H new ATOM 0 HA LEU A 69 5.671 1.186 -9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.847 3.536 -8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.225 2.016 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 69 5.964 2.906 -7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.975 4.165 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.571 4.895 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.356 3.929 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.314 1.729 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.709 1.402 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.162 0.681 -6.862 1.00 0.00 H new ATOM 1144 N SER A 70 3.388 1.453 -11.507 1.00 0.00 N ATOM 1145 CA SER A 70 2.458 0.700 -12.341 1.00 0.00 C ATOM 1146 C SER A 70 3.170 -0.434 -13.069 1.00 0.00 C ATOM 1147 O SER A 70 2.687 -1.564 -13.096 1.00 0.00 O ATOM 1148 CB SER A 70 1.778 1.626 -13.351 1.00 0.00 C ATOM 1149 OG SER A 70 0.451 1.203 -13.618 1.00 0.00 O ATOM 0 H SER A 70 3.551 2.411 -11.816 1.00 0.00 H new ATOM 0 HA SER A 70 1.699 0.266 -11.690 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.767 2.645 -12.965 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.351 1.642 -14.278 1.00 0.00 H new ATOM 0 HG SER A 70 0.037 1.812 -14.265 1.00 0.00 H new ATOM 1155 N ASP A 71 4.324 -0.131 -13.650 1.00 0.00 N ATOM 1156 CA ASP A 71 5.095 -1.142 -14.361 1.00 0.00 C ATOM 1157 C ASP A 71 5.881 -1.988 -13.372 1.00 0.00 C ATOM 1158 O ASP A 71 6.144 -3.166 -13.615 1.00 0.00 O ATOM 1159 CB ASP A 71 6.041 -0.488 -15.369 1.00 0.00 C ATOM 1160 CG ASP A 71 6.264 -1.351 -16.596 1.00 0.00 C ATOM 1161 OD1 ASP A 71 6.425 -2.579 -16.436 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.279 -0.798 -17.716 1.00 0.00 O ATOM 0 H ASP A 71 4.744 0.799 -13.643 1.00 0.00 H new ATOM 0 HA ASP A 71 4.405 -1.785 -14.907 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.632 0.475 -15.675 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.999 -0.290 -14.888 1.00 0.00 H new ATOM 1167 N MET A 72 6.240 -1.383 -12.247 1.00 0.00 N ATOM 1168 CA MET A 72 6.978 -2.082 -11.210 1.00 0.00 C ATOM 1169 C MET A 72 6.042 -2.976 -10.417 1.00 0.00 C ATOM 1170 O MET A 72 6.450 -4.027 -9.926 1.00 0.00 O ATOM 1171 CB MET A 72 7.677 -1.085 -10.281 1.00 0.00 C ATOM 1172 CG MET A 72 8.298 -1.722 -9.045 1.00 0.00 C ATOM 1173 SD MET A 72 8.883 -0.502 -7.855 1.00 0.00 S ATOM 1174 CE MET A 72 7.427 -0.303 -6.831 1.00 0.00 C ATOM 0 H MET A 72 6.030 -0.408 -12.032 1.00 0.00 H new ATOM 0 HA MET A 72 7.740 -2.701 -11.683 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.456 -0.567 -10.841 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.956 -0.331 -9.965 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.563 -2.368 -8.565 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.131 -2.357 -9.348 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.663 0.341 -5.984 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.628 0.149 -7.419 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.103 -1.278 -6.466 1.00 0.00 H new ATOM 1184 N THR A 73 4.779 -2.569 -10.303 1.00 0.00 N ATOM 1185 CA THR A 73 3.820 -3.374 -9.573 1.00 0.00 C ATOM 1186 C THR A 73 3.643 -4.716 -10.254 1.00 0.00 C ATOM 1187 O THR A 73 3.372 -5.722 -9.598 1.00 0.00 O ATOM 1188 CB THR A 73 2.471 -2.684 -9.441 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.620 -3.475 -8.645 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.758 -2.458 -10.746 1.00 0.00 C ATOM 0 H THR A 73 4.408 -1.705 -10.699 1.00 0.00 H new ATOM 0 HA THR A 73 4.217 -3.517 -8.568 1.00 0.00 H new ATOM 0 HB THR A 73 2.687 -1.710 -9.003 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.049 -3.650 -7.782 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.806 -1.962 -10.559 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.373 -1.832 -11.393 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.578 -3.416 -11.233 1.00 0.00 H new ATOM 1198 N ALA A 74 3.818 -4.737 -11.574 1.00 0.00 N ATOM 1199 CA ALA A 74 3.696 -5.978 -12.319 1.00 0.00 C ATOM 1200 C ALA A 74 4.540 -7.058 -11.656 1.00 0.00 C ATOM 1201 O ALA A 74 4.221 -8.245 -11.725 1.00 0.00 O ATOM 1202 CB ALA A 74 4.116 -5.779 -13.768 1.00 0.00 C ATOM 0 H ALA A 74 4.042 -3.918 -12.139 1.00 0.00 H new ATOM 0 HA ALA A 74 2.652 -6.293 -12.315 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.017 -6.721 -14.308 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.479 -5.026 -14.231 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.154 -5.448 -13.804 1.00 0.00 H new ATOM 1208 N LYS A 75 5.614 -6.628 -10.993 1.00 0.00 N ATOM 1209 CA LYS A 75 6.494 -7.552 -10.295 1.00 0.00 C ATOM 1210 C LYS A 75 6.172 -7.594 -8.804 1.00 0.00 C ATOM 1211 O LYS A 75 6.473 -8.576 -8.125 1.00 0.00 O ATOM 1212 CB LYS A 75 7.958 -7.162 -10.507 1.00 0.00 C ATOM 1213 CG LYS A 75 8.597 -7.827 -11.716 1.00 0.00 C ATOM 1214 CD LYS A 75 8.132 -7.187 -13.014 1.00 0.00 C ATOM 1215 CE LYS A 75 8.853 -7.778 -14.215 1.00 0.00 C ATOM 1216 NZ LYS A 75 9.058 -6.768 -15.291 1.00 0.00 N ATOM 0 H LYS A 75 5.891 -5.648 -10.927 1.00 0.00 H new ATOM 0 HA LYS A 75 6.331 -8.547 -10.709 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.024 -6.080 -10.621 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.528 -7.424 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.682 -7.754 -11.641 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.348 -8.888 -11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.057 -7.330 -13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.309 -6.112 -12.975 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.818 -8.174 -13.900 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.277 -8.616 -14.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.553 -7.210 -16.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.136 -6.408 -15.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.629 -5.980 -14.924 1.00 0.00 H new ATOM 1230 N GLU A 76 5.552 -6.530 -8.295 1.00 0.00 N ATOM 1231 CA GLU A 76 5.191 -6.471 -6.886 1.00 0.00 C ATOM 1232 C GLU A 76 4.035 -7.415 -6.588 1.00 0.00 C ATOM 1233 O GLU A 76 4.195 -8.387 -5.848 1.00 0.00 O ATOM 1234 CB GLU A 76 4.812 -5.043 -6.488 1.00 0.00 C ATOM 1235 CG GLU A 76 5.927 -4.032 -6.702 1.00 0.00 C ATOM 1236 CD GLU A 76 7.241 -4.469 -6.082 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.207 -5.258 -5.115 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.302 -4.022 -6.565 1.00 0.00 O ATOM 0 H GLU A 76 5.292 -5.705 -8.835 1.00 0.00 H new ATOM 0 HA GLU A 76 6.057 -6.782 -6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.939 -4.735 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.521 -5.033 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.069 -3.875 -7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.630 -3.074 -6.276 1.00 0.00 H new ATOM 1245 N LYS A 77 2.871 -7.125 -7.178 1.00 0.00 N ATOM 1246 CA LYS A 77 1.669 -7.944 -6.990 1.00 0.00 C ATOM 1247 C LYS A 77 0.395 -7.142 -7.261 1.00 0.00 C ATOM 1248 O LYS A 77 -0.589 -7.684 -7.765 1.00 0.00 O ATOM 1249 CB LYS A 77 1.605 -8.520 -5.568 1.00 0.00 C ATOM 1250 CG LYS A 77 2.028 -9.977 -5.482 1.00 0.00 C ATOM 1251 CD LYS A 77 0.828 -10.910 -5.538 1.00 0.00 C ATOM 1252 CE LYS A 77 1.256 -12.360 -5.697 1.00 0.00 C ATOM 1253 NZ LYS A 77 2.326 -12.732 -4.731 1.00 0.00 N ATOM 0 H LYS A 77 2.736 -6.323 -7.794 1.00 0.00 H new ATOM 0 HA LYS A 77 1.733 -8.762 -7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.244 -7.926 -4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.587 -8.423 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.709 -10.208 -6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.577 -10.144 -4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.239 -10.801 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.184 -10.626 -6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.394 -13.011 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.612 -12.524 -6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.413 -13.768 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.230 -12.320 -5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.083 -12.368 -3.787 1.00 0.00 H new ATOM 1267 N PHE A 78 0.407 -5.854 -6.905 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.759 -4.989 -7.093 1.00 0.00 C ATOM 1269 C PHE A 78 -1.420 -5.212 -8.425 1.00 0.00 C ATOM 1270 O PHE A 78 -0.817 -5.744 -9.358 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.385 -3.516 -6.984 1.00 0.00 C ATOM 1272 CG PHE A 78 0.563 -3.249 -5.874 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.247 -3.657 -4.603 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.768 -2.613 -6.102 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.115 -3.432 -3.563 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.647 -2.389 -5.067 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.318 -2.798 -3.791 1.00 0.00 C ATOM 0 H PHE A 78 1.212 -5.388 -6.485 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.457 -5.253 -6.298 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.059 -3.187 -7.923 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.289 -2.925 -6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.691 -4.159 -4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.022 -2.289 -7.100 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.855 -3.752 -2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.590 -1.896 -5.253 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.001 -2.622 -2.973 1.00 0.00 H new ATOM 1287 N SER A 79 -2.660 -4.766 -8.506 1.00 0.00 N ATOM 1288 CA SER A 79 -3.429 -4.876 -9.734 1.00 0.00 C ATOM 1289 C SER A 79 -4.927 -4.742 -9.487 1.00 0.00 C ATOM 1290 O SER A 79 -5.621 -4.062 -10.243 1.00 0.00 O ATOM 1291 CB SER A 79 -3.142 -6.200 -10.457 1.00 0.00 C ATOM 1292 OG SER A 79 -4.203 -6.548 -11.331 1.00 0.00 O ATOM 0 H SER A 79 -3.158 -4.323 -7.734 1.00 0.00 H new ATOM 0 HA SER A 79 -3.113 -4.049 -10.369 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.214 -6.115 -11.023 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.996 -6.993 -9.724 1.00 0.00 H new ATOM 0 HG SER A 79 -3.993 -7.394 -11.779 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.471 -5.431 -8.473 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.889 -5.407 -8.204 1.00 0.00 C ATOM 1300 C PRO A 80 -7.323 -4.465 -7.090 1.00 0.00 C ATOM 1301 O PRO A 80 -7.910 -3.418 -7.364 1.00 0.00 O ATOM 1302 CB PRO A 80 -7.159 -6.861 -7.821 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.857 -7.376 -7.262 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.789 -6.341 -7.556 1.00 0.00 C ATOM 0 HA PRO A 80 -7.449 -5.031 -9.060 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.958 -6.931 -7.083 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.473 -7.444 -8.687 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.941 -7.544 -6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.598 -8.333 -7.715 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.458 -5.832 -6.651 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.905 -6.788 -8.011 1.00 0.00 H new ATOM 1312 N LEU A 81 -7.048 -4.821 -5.838 1.00 0.00 N ATOM 1313 CA LEU A 81 -7.447 -3.962 -4.736 1.00 0.00 C ATOM 1314 C LEU A 81 -6.278 -3.112 -4.300 1.00 0.00 C ATOM 1315 O LEU A 81 -6.292 -2.489 -3.238 1.00 0.00 O ATOM 1316 CB LEU A 81 -8.007 -4.784 -3.580 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.507 -5.069 -3.702 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.741 -6.454 -4.279 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -10.204 -4.920 -2.358 1.00 0.00 C ATOM 0 H LEU A 81 -6.563 -5.677 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.244 -3.299 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.469 -5.730 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.821 -4.255 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.936 -4.335 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.812 -6.639 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.288 -6.517 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.291 -7.201 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.268 -5.128 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.773 -5.622 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.072 -3.902 -1.990 1.00 0.00 H new ATOM 1331 N THR A 82 -5.270 -3.084 -5.155 1.00 0.00 N ATOM 1332 CA THR A 82 -4.081 -2.313 -4.918 1.00 0.00 C ATOM 1333 C THR A 82 -3.739 -1.475 -6.142 1.00 0.00 C ATOM 1334 O THR A 82 -2.823 -0.658 -6.102 1.00 0.00 O ATOM 1335 CB THR A 82 -2.927 -3.230 -4.550 1.00 0.00 C ATOM 1336 OG1 THR A 82 -3.381 -4.561 -4.369 1.00 0.00 O ATOM 1337 CG2 THR A 82 -2.239 -2.800 -3.271 1.00 0.00 C ATOM 0 H THR A 82 -5.262 -3.601 -6.034 1.00 0.00 H new ATOM 0 HA THR A 82 -4.261 -1.636 -4.083 1.00 0.00 H new ATOM 0 HB THR A 82 -2.219 -3.172 -5.376 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.901 -4.620 -3.540 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.421 -3.486 -3.049 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.844 -1.791 -3.392 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.956 -2.813 -2.450 1.00 0.00 H new ATOM 1345 N SER A 83 -4.489 -1.657 -7.234 1.00 0.00 N ATOM 1346 CA SER A 83 -4.237 -0.884 -8.437 1.00 0.00 C ATOM 1347 C SER A 83 -4.991 0.442 -8.396 1.00 0.00 C ATOM 1348 O SER A 83 -5.299 1.036 -9.429 1.00 0.00 O ATOM 1349 CB SER A 83 -4.628 -1.662 -9.689 1.00 0.00 C ATOM 1350 OG SER A 83 -4.544 -0.848 -10.845 1.00 0.00 O ATOM 0 H SER A 83 -5.260 -2.322 -7.303 1.00 0.00 H new ATOM 0 HA SER A 83 -3.166 -0.683 -8.477 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.974 -2.527 -9.802 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.644 -2.042 -9.582 1.00 0.00 H new ATOM 0 HG SER A 83 -5.101 -0.051 -10.725 1.00 0.00 H new ATOM 1356 N ASN A 84 -5.259 0.896 -7.187 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.949 2.151 -6.946 1.00 0.00 C ATOM 1358 C ASN A 84 -5.290 2.791 -5.747 1.00 0.00 C ATOM 1359 O ASN A 84 -4.930 3.968 -5.762 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.439 1.919 -6.686 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.281 2.117 -7.931 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.902 3.163 -8.114 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.306 1.108 -8.793 1.00 0.00 N ATOM 0 H ASN A 84 -5.001 0.399 -6.334 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.881 2.799 -7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.586 0.907 -6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.780 2.602 -5.908 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.856 1.182 -9.649 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.775 0.259 -8.600 1.00 0.00 H new ATOM 1370 N LEU A 85 -5.074 1.967 -4.730 1.00 0.00 N ATOM 1371 CA LEU A 85 -4.387 2.401 -3.540 1.00 0.00 C ATOM 1372 C LEU A 85 -2.934 2.680 -3.901 1.00 0.00 C ATOM 1373 O LEU A 85 -2.231 3.390 -3.182 1.00 0.00 O ATOM 1374 CB LEU A 85 -4.469 1.327 -2.450 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.792 1.693 -1.126 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.808 2.258 -0.145 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -3.091 0.480 -0.529 1.00 0.00 C ATOM 0 H LEU A 85 -5.370 0.991 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.855 3.306 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.519 1.108 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.018 0.410 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.043 2.459 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.309 2.512 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.264 3.153 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.581 1.514 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.616 0.760 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.821 -0.308 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.333 0.119 -1.224 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.486 2.119 -5.039 1.00 0.00 N ATOM 1390 CA ILE A 86 -1.121 2.325 -5.490 1.00 0.00 C ATOM 1391 C ILE A 86 -0.896 3.790 -5.851 1.00 0.00 C ATOM 1392 O ILE A 86 0.065 4.412 -5.398 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.773 1.411 -6.698 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.187 0.304 -6.261 1.00 0.00 C ATOM 1395 CG2 ILE A 86 -0.167 2.205 -7.851 1.00 0.00 C ATOM 1396 CD1 ILE A 86 -0.337 -0.533 -5.116 1.00 0.00 C ATOM 0 H ILE A 86 -3.051 1.528 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.457 2.056 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.702 0.965 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.391 -0.346 -7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.136 0.752 -5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.063 1.531 -8.676 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.878 2.960 -8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.748 2.693 -7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.396 -1.298 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.514 0.105 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.271 -1.010 -5.412 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.794 4.335 -6.665 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.699 5.727 -7.083 1.00 0.00 C ATOM 1410 C ASN A 87 -2.065 6.658 -5.932 1.00 0.00 C ATOM 1411 O ASN A 87 -1.604 7.797 -5.868 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.616 5.990 -8.278 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.040 5.458 -9.577 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.021 4.767 -9.580 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.692 5.779 -10.688 1.00 0.00 N ATOM 0 H ASN A 87 -2.595 3.833 -7.048 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.669 5.924 -7.379 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.586 5.527 -8.097 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.787 7.062 -8.372 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.352 5.450 -11.592 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.533 6.354 -10.638 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.897 6.162 -5.020 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.326 6.945 -3.869 1.00 0.00 C ATOM 1424 C LEU A 88 -2.242 6.973 -2.797 1.00 0.00 C ATOM 1425 O LEU A 88 -2.128 7.940 -2.043 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.622 6.372 -3.290 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.667 7.413 -2.890 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -7.071 6.866 -3.096 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.466 7.839 -1.444 1.00 0.00 C ATOM 0 H LEU A 88 -3.287 5.220 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.508 7.967 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.064 5.699 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.376 5.771 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.544 8.289 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.802 7.621 -2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.211 6.610 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.208 5.975 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.218 8.581 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.563 6.971 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.472 8.271 -1.327 1.00 0.00 H new ATOM 1441 N LEU A 89 -1.444 5.911 -2.732 1.00 0.00 N ATOM 1442 CA LEU A 89 -0.372 5.829 -1.749 1.00 0.00 C ATOM 1443 C LEU A 89 0.793 6.731 -2.143 1.00 0.00 C ATOM 1444 O LEU A 89 1.512 7.244 -1.286 1.00 0.00 O ATOM 1445 CB LEU A 89 0.107 4.384 -1.598 1.00 0.00 C ATOM 1446 CG LEU A 89 -0.471 3.641 -0.393 1.00 0.00 C ATOM 1447 CD1 LEU A 89 -0.144 2.157 -0.475 1.00 0.00 C ATOM 1448 CD2 LEU A 89 0.060 4.238 0.901 1.00 0.00 C ATOM 0 H LEU A 89 -1.520 5.100 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.764 6.170 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.149 3.834 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.194 4.382 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.555 3.752 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.563 1.644 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.572 1.740 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.938 2.023 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.360 3.699 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.147 4.156 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.225 5.288 0.961 1.00 0.00 H new ATOM 1460 N ALA A 90 0.970 6.925 -3.447 1.00 0.00 N ATOM 1461 CA ALA A 90 2.044 7.768 -3.953 1.00 0.00 C ATOM 1462 C ALA A 90 1.514 9.122 -4.420 1.00 0.00 C ATOM 1463 O ALA A 90 2.195 9.846 -5.148 1.00 0.00 O ATOM 1464 CB ALA A 90 2.775 7.066 -5.088 1.00 0.00 C ATOM 0 H ALA A 90 0.383 6.509 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 90 2.744 7.946 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.575 7.707 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.199 6.130 -4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.075 6.857 -5.897 1.00 0.00 H new ATOM 1470 N GLU A 91 0.297 9.462 -4.001 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.313 10.731 -4.382 1.00 0.00 C ATOM 1472 C GLU A 91 -0.725 11.530 -3.149 1.00 0.00 C ATOM 1473 O GLU A 91 -0.287 12.665 -2.959 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.530 10.488 -5.278 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.235 11.763 -5.710 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.744 11.659 -5.612 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.255 11.505 -4.482 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.414 11.731 -6.663 1.00 0.00 O ATOM 0 H GLU A 91 -0.284 8.878 -3.399 1.00 0.00 H new ATOM 0 HA GLU A 91 0.427 11.309 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.213 9.940 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.240 9.853 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.891 12.591 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.957 11.997 -6.738 1.00 0.00 H new ATOM 1485 N ASN A 92 -1.568 10.931 -2.315 1.00 0.00 N ATOM 1486 CA ASN A 92 -2.039 11.588 -1.101 1.00 0.00 C ATOM 1487 C ASN A 92 -0.870 11.970 -0.197 1.00 0.00 C ATOM 1488 O ASN A 92 -0.941 12.949 0.547 1.00 0.00 O ATOM 1489 CB ASN A 92 -3.010 10.676 -0.346 1.00 0.00 C ATOM 1490 CG ASN A 92 -4.432 11.201 -0.365 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -5.378 10.454 -0.617 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -4.589 12.492 -0.101 1.00 0.00 N ATOM 0 H ASN A 92 -1.939 9.992 -2.457 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.560 12.500 -1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.988 9.680 -0.789 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.678 10.573 0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.523 12.903 -0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.776 13.073 0.103 1.00 0.00 H new ATOM 1499 N GLY A 93 0.207 11.193 -0.269 1.00 0.00 N ATOM 1500 CA GLY A 93 1.374 11.468 0.547 1.00 0.00 C ATOM 1501 C GLY A 93 1.507 10.507 1.712 1.00 0.00 C ATOM 1502 O GLY A 93 2.071 10.852 2.750 1.00 0.00 O ATOM 0 H GLY A 93 0.291 10.379 -0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.269 11.409 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.316 12.488 0.926 1.00 0.00 H new ATOM 1506 N ARG A 94 0.984 9.297 1.541 1.00 0.00 N ATOM 1507 CA ARG A 94 1.046 8.282 2.586 1.00 0.00 C ATOM 1508 C ARG A 94 2.368 7.521 2.535 1.00 0.00 C ATOM 1509 O ARG A 94 2.804 6.950 3.534 1.00 0.00 O ATOM 1510 CB ARG A 94 -0.121 7.303 2.446 1.00 0.00 C ATOM 1511 CG ARG A 94 -1.485 7.971 2.507 1.00 0.00 C ATOM 1512 CD ARG A 94 -1.756 8.563 3.882 1.00 0.00 C ATOM 1513 NE ARG A 94 -2.408 9.868 3.797 1.00 0.00 N ATOM 1514 CZ ARG A 94 -2.435 10.750 4.793 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -1.849 10.471 5.951 1.00 0.00 N ATOM 1516 NH2 ARG A 94 -3.049 11.914 4.631 1.00 0.00 N ATOM 0 H ARG A 94 0.512 8.996 0.688 1.00 0.00 H new ATOM 0 HA ARG A 94 0.976 8.788 3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.028 6.772 1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.055 6.557 3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.540 8.757 1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.259 7.243 2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.385 7.880 4.453 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.817 8.662 4.426 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.870 10.118 2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.375 9.577 6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.873 11.151 6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.501 12.133 3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.070 12.590 5.394 1.00 0.00 H new ATOM 1530 N LEU A 95 3.004 7.516 1.366 1.00 0.00 N ATOM 1531 CA LEU A 95 4.276 6.823 1.188 1.00 0.00 C ATOM 1532 C LEU A 95 5.282 7.245 2.256 1.00 0.00 C ATOM 1533 O LEU A 95 5.043 8.189 3.009 1.00 0.00 O ATOM 1534 CB LEU A 95 4.841 7.100 -0.209 1.00 0.00 C ATOM 1535 CG LEU A 95 4.891 5.886 -1.138 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.783 4.802 -0.552 1.00 0.00 C ATOM 1537 CD2 LEU A 95 3.491 5.347 -1.390 1.00 0.00 C ATOM 0 H LEU A 95 2.659 7.984 0.528 1.00 0.00 H new ATOM 0 HA LEU A 95 4.097 5.753 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.238 7.876 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.849 7.500 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 95 5.314 6.201 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.807 3.946 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.793 5.191 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.389 4.491 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.547 4.484 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.040 5.049 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.881 6.122 -1.854 1.00 0.00 H new ATOM 1549 N THR A 96 6.401 6.522 2.323 1.00 0.00 N ATOM 1550 CA THR A 96 7.453 6.793 3.304 1.00 0.00 C ATOM 1551 C THR A 96 7.123 6.102 4.620 1.00 0.00 C ATOM 1552 O THR A 96 7.889 5.273 5.110 1.00 0.00 O ATOM 1553 CB THR A 96 7.634 8.298 3.529 1.00 0.00 C ATOM 1554 OG1 THR A 96 7.377 9.018 2.336 1.00 0.00 O ATOM 1555 CG2 THR A 96 9.023 8.671 3.999 1.00 0.00 C ATOM 0 H THR A 96 6.603 5.737 1.703 1.00 0.00 H new ATOM 0 HA THR A 96 8.391 6.399 2.913 1.00 0.00 H new ATOM 0 HB THR A 96 6.921 8.560 4.311 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.447 9.327 2.334 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.082 9.750 4.139 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.234 8.171 4.944 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.755 8.361 3.253 1.00 0.00 H new ATOM 1563 N ASN A 97 5.960 6.429 5.169 1.00 0.00 N ATOM 1564 CA ASN A 97 5.502 5.820 6.408 1.00 0.00 C ATOM 1565 C ASN A 97 4.488 4.724 6.097 1.00 0.00 C ATOM 1566 O ASN A 97 3.616 4.414 6.909 1.00 0.00 O ATOM 1567 CB ASN A 97 4.875 6.873 7.323 1.00 0.00 C ATOM 1568 CG ASN A 97 5.870 7.936 7.749 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.559 7.787 8.758 1.00 0.00 O ATOM 1570 ND2 ASN A 97 5.949 9.014 6.979 1.00 0.00 N ATOM 0 H ASN A 97 5.316 7.114 4.773 1.00 0.00 H new ATOM 0 HA ASN A 97 6.357 5.383 6.923 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.040 7.347 6.808 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.468 6.385 8.208 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.601 9.762 7.214 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.358 9.094 6.152 1.00 0.00 H new ATOM 1577 N THR A 98 4.609 4.148 4.901 1.00 0.00 N ATOM 1578 CA THR A 98 3.711 3.092 4.450 1.00 0.00 C ATOM 1579 C THR A 98 3.523 2.012 5.516 1.00 0.00 C ATOM 1580 O THR A 98 2.395 1.631 5.829 1.00 0.00 O ATOM 1581 CB THR A 98 4.239 2.464 3.158 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.319 3.216 2.637 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.188 2.362 2.075 1.00 0.00 C ATOM 0 H THR A 98 5.328 4.400 4.223 1.00 0.00 H new ATOM 0 HA THR A 98 2.739 3.547 4.262 1.00 0.00 H new ATOM 0 HB THR A 98 4.557 1.459 3.434 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.011 4.119 2.413 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.625 1.909 1.185 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.361 1.745 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.819 3.358 1.831 1.00 0.00 H new ATOM 1591 N PRO A 99 4.628 1.497 6.087 1.00 0.00 N ATOM 1592 CA PRO A 99 4.575 0.454 7.116 1.00 0.00 C ATOM 1593 C PRO A 99 3.487 0.706 8.154 1.00 0.00 C ATOM 1594 O PRO A 99 2.927 -0.233 8.720 1.00 0.00 O ATOM 1595 CB PRO A 99 5.959 0.535 7.753 1.00 0.00 C ATOM 1596 CG PRO A 99 6.850 0.979 6.645 1.00 0.00 C ATOM 1597 CD PRO A 99 6.018 1.887 5.774 1.00 0.00 C ATOM 0 HA PRO A 99 4.333 -0.524 6.699 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.974 1.242 8.583 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.271 -0.431 8.151 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.722 1.505 7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.219 0.125 6.077 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.200 2.937 6.002 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.245 1.746 4.717 1.00 0.00 H new ATOM 1605 N ALA A 100 3.185 1.977 8.396 1.00 0.00 N ATOM 1606 CA ALA A 100 2.157 2.344 9.361 1.00 0.00 C ATOM 1607 C ALA A 100 0.767 2.088 8.791 1.00 0.00 C ATOM 1608 O ALA A 100 -0.121 1.597 9.487 1.00 0.00 O ATOM 1609 CB ALA A 100 2.305 3.802 9.767 1.00 0.00 C ATOM 0 H ALA A 100 3.637 2.768 7.938 1.00 0.00 H new ATOM 0 HA ALA A 100 2.283 1.723 10.248 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.529 4.059 10.488 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.285 3.956 10.218 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.207 4.437 8.886 1.00 0.00 H new ATOM 1615 N VAL A 101 0.590 2.417 7.515 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.688 2.216 6.845 1.00 0.00 C ATOM 1617 C VAL A 101 -0.893 0.744 6.502 1.00 0.00 C ATOM 1618 O VAL A 101 -2.025 0.265 6.428 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.785 3.052 5.555 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -2.180 2.950 4.953 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -0.420 4.503 5.831 1.00 0.00 C ATOM 0 H VAL A 101 1.316 2.824 6.925 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.466 2.542 7.535 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.074 2.653 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.228 3.547 4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.399 1.909 4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.913 3.321 5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.494 5.079 4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.104 4.916 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.600 4.556 6.211 1.00 0.00 H new ATOM 1631 N ILE A 102 0.210 0.032 6.295 1.00 0.00 N ATOM 1632 CA ILE A 102 0.155 -1.386 5.963 1.00 0.00 C ATOM 1633 C ILE A 102 0.040 -2.238 7.223 1.00 0.00 C ATOM 1634 O ILE A 102 -0.600 -3.289 7.217 1.00 0.00 O ATOM 1635 CB ILE A 102 1.402 -1.828 5.172 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.629 -0.905 3.974 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.258 -3.272 4.714 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.078 -0.817 3.545 1.00 0.00 C ATOM 0 H ILE A 102 1.154 0.415 6.352 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.729 -1.532 5.343 1.00 0.00 H new ATOM 0 HB ILE A 102 2.270 -1.761 5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.031 -1.259 3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.271 0.094 4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.147 -3.567 4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.142 -3.920 5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.381 -3.365 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.164 -0.146 2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.679 -0.434 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.435 -1.808 3.265 1.00 0.00 H new ATOM 1650 N SER A 103 0.665 -1.777 8.303 1.00 0.00 N ATOM 1651 CA SER A 103 0.632 -2.500 9.569 1.00 0.00 C ATOM 1652 C SER A 103 -0.796 -2.622 10.088 1.00 0.00 C ATOM 1653 O SER A 103 -1.213 -3.689 10.538 1.00 0.00 O ATOM 1654 CB SER A 103 1.506 -1.792 10.608 1.00 0.00 C ATOM 1655 OG SER A 103 1.366 -2.390 11.885 1.00 0.00 O ATOM 0 H SER A 103 1.199 -0.908 8.326 1.00 0.00 H new ATOM 0 HA SER A 103 1.024 -3.502 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.550 -1.831 10.297 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.229 -0.739 10.664 1.00 0.00 H new ATOM 0 HG SER A 103 1.935 -1.921 12.530 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.542 -1.524 10.019 1.00 0.00 N ATOM 1662 CA ALA A 104 -2.925 -1.513 10.479 1.00 0.00 C ATOM 1663 C ALA A 104 -3.755 -2.554 9.736 1.00 0.00 C ATOM 1664 O ALA A 104 -4.678 -3.141 10.296 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.528 -0.127 10.303 1.00 0.00 C ATOM 0 H ALA A 104 -1.212 -0.632 9.650 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.934 -1.767 11.539 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.561 -0.133 10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.954 0.596 10.883 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.501 0.150 9.249 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.417 -2.777 8.471 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.128 -3.750 7.648 1.00 0.00 C ATOM 1673 C PHE A 105 -4.063 -5.140 8.269 1.00 0.00 C ATOM 1674 O PHE A 105 -5.035 -5.894 8.228 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.533 -3.785 6.238 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.467 -4.338 5.199 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.918 -5.647 5.273 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.894 -3.548 4.145 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.773 -6.153 4.318 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.750 -4.052 3.186 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.190 -5.357 3.275 1.00 0.00 C ATOM 0 H PHE A 105 -2.655 -2.297 7.992 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.173 -3.445 7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.243 -2.774 5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.624 -4.386 6.252 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.596 -6.277 6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.554 -2.526 4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.116 -7.175 4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.075 -3.426 2.368 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.861 -5.753 2.527 1.00 0.00 H new ATOM 1691 N SER A 106 -2.909 -5.477 8.836 1.00 0.00 N ATOM 1692 CA SER A 106 -2.718 -6.783 9.455 1.00 0.00 C ATOM 1693 C SER A 106 -3.595 -6.950 10.690 1.00 0.00 C ATOM 1694 O SER A 106 -4.127 -8.031 10.942 1.00 0.00 O ATOM 1695 CB SER A 106 -1.248 -6.988 9.824 1.00 0.00 C ATOM 1696 OG SER A 106 -0.885 -8.355 9.737 1.00 0.00 O ATOM 0 H SER A 106 -2.094 -4.865 8.879 1.00 0.00 H new ATOM 0 HA SER A 106 -3.013 -7.539 8.728 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.617 -6.398 9.159 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.070 -6.625 10.836 1.00 0.00 H new ATOM 0 HG SER A 106 0.060 -8.458 9.976 1.00 0.00 H new ATOM 1702 N THR A 107 -3.750 -5.879 11.457 1.00 0.00 N ATOM 1703 CA THR A 107 -4.575 -5.927 12.657 1.00 0.00 C ATOM 1704 C THR A 107 -6.031 -5.659 12.314 1.00 0.00 C ATOM 1705 O THR A 107 -6.935 -6.102 13.022 1.00 0.00 O ATOM 1706 CB THR A 107 -4.079 -4.918 13.694 1.00 0.00 C ATOM 1707 OG1 THR A 107 -2.671 -4.990 13.829 1.00 0.00 O ATOM 1708 CG2 THR A 107 -4.683 -5.125 15.065 1.00 0.00 C ATOM 0 H THR A 107 -3.319 -4.973 11.272 1.00 0.00 H new ATOM 0 HA THR A 107 -4.497 -6.927 13.084 1.00 0.00 H new ATOM 0 HB THR A 107 -4.390 -3.942 13.321 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.372 -4.336 14.495 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.289 -4.377 15.753 1.00 0.00 H new ATOM 0 HG22 THR A 107 -5.767 -5.027 15.004 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.429 -6.121 15.428 1.00 0.00 H new ATOM 1716 N MET A 108 -6.257 -4.950 11.215 1.00 0.00 N ATOM 1717 CA MET A 108 -7.607 -4.656 10.780 1.00 0.00 C ATOM 1718 C MET A 108 -8.164 -5.830 9.987 1.00 0.00 C ATOM 1719 O MET A 108 -9.377 -6.026 9.924 1.00 0.00 O ATOM 1720 CB MET A 108 -7.634 -3.383 9.939 1.00 0.00 C ATOM 1721 CG MET A 108 -7.402 -2.117 10.750 1.00 0.00 C ATOM 1722 SD MET A 108 -8.648 -1.875 12.030 1.00 0.00 S ATOM 1723 CE MET A 108 -7.633 -1.932 13.506 1.00 0.00 C ATOM 0 H MET A 108 -5.524 -4.572 10.615 1.00 0.00 H new ATOM 0 HA MET A 108 -8.232 -4.497 11.659 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.872 -3.453 9.163 1.00 0.00 H new ATOM 0 HB3 MET A 108 -8.597 -3.311 9.434 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.416 -2.162 11.212 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.402 -1.256 10.081 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.262 -1.797 14.386 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.130 -2.897 13.565 1.00 0.00 H new ATOM 0 HE3 MET A 108 -6.889 -1.137 13.467 1.00 0.00 H new ATOM 1733 N MET A 109 -7.270 -6.620 9.391 1.00 0.00 N ATOM 1734 CA MET A 109 -7.689 -7.780 8.620 1.00 0.00 C ATOM 1735 C MET A 109 -8.130 -8.913 9.543 1.00 0.00 C ATOM 1736 O MET A 109 -8.719 -9.888 9.092 1.00 0.00 O ATOM 1737 CB MET A 109 -6.562 -8.263 7.704 1.00 0.00 C ATOM 1738 CG MET A 109 -5.369 -8.835 8.449 1.00 0.00 C ATOM 1739 SD MET A 109 -4.293 -9.817 7.388 1.00 0.00 S ATOM 1740 CE MET A 109 -3.003 -10.273 8.545 1.00 0.00 C ATOM 0 H MET A 109 -6.261 -6.476 9.429 1.00 0.00 H new ATOM 0 HA MET A 109 -8.536 -7.480 8.003 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.956 -9.023 7.029 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.227 -7.430 7.086 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.794 -8.019 8.887 1.00 0.00 H new ATOM 0 HG3 MET A 109 -5.723 -9.454 9.273 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.033 -9.986 8.140 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.166 -9.760 9.493 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.024 -11.351 8.707 1.00 0.00 H new ATOM 1750 N SER A 110 -7.841 -8.787 10.839 1.00 0.00 N ATOM 1751 CA SER A 110 -8.230 -9.815 11.797 1.00 0.00 C ATOM 1752 C SER A 110 -9.580 -9.489 12.427 1.00 0.00 C ATOM 1753 O SER A 110 -10.255 -10.370 12.959 1.00 0.00 O ATOM 1754 CB SER A 110 -7.164 -9.967 12.884 1.00 0.00 C ATOM 1755 OG SER A 110 -7.304 -8.968 13.879 1.00 0.00 O ATOM 0 H SER A 110 -7.345 -7.993 11.243 1.00 0.00 H new ATOM 0 HA SER A 110 -8.320 -10.759 11.260 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.244 -10.953 13.341 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.172 -9.903 12.437 1.00 0.00 H new ATOM 0 HG SER A 110 -7.145 -8.086 13.482 1.00 0.00 H new ATOM 1761 N VAL A 111 -9.976 -8.222 12.355 1.00 0.00 N ATOM 1762 CA VAL A 111 -11.253 -7.794 12.909 1.00 0.00 C ATOM 1763 C VAL A 111 -12.397 -8.095 11.944 1.00 0.00 C ATOM 1764 O VAL A 111 -13.564 -8.088 12.334 1.00 0.00 O ATOM 1765 CB VAL A 111 -11.250 -6.289 13.244 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -11.083 -5.452 11.982 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.523 -5.905 13.983 1.00 0.00 C ATOM 0 H VAL A 111 -9.432 -7.477 11.920 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.403 -8.356 13.831 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.401 -6.086 13.896 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.084 -4.394 12.244 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.139 -5.705 11.500 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -11.906 -5.657 11.298 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.504 -4.839 14.211 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.388 -6.126 13.357 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -12.591 -6.474 14.910 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.058 -8.361 10.683 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.056 -8.664 9.676 1.00 0.00 C ATOM 1779 C HIS A 112 -13.575 -10.089 9.839 1.00 0.00 C ATOM 1780 O HIS A 112 -14.698 -10.400 9.440 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.457 -8.472 8.283 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.756 -9.682 7.751 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -10.931 -10.482 8.512 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -11.774 -10.231 6.524 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -10.474 -11.473 7.768 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -10.973 -11.344 6.555 1.00 0.00 N ATOM 0 H HIS A 112 -11.097 -8.371 10.341 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.897 -7.982 9.801 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.252 -8.192 7.592 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.753 -7.640 8.313 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.320 -9.862 5.668 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -9.806 -12.255 8.097 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -10.793 -11.969 5.769 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.747 -10.956 10.420 1.00 0.00 N ATOM 1796 CA ARG A 113 -13.129 -12.346 10.620 1.00 0.00 C ATOM 1797 C ARG A 113 -14.262 -12.455 11.636 1.00 0.00 C ATOM 1798 O ARG A 113 -15.148 -13.300 11.505 1.00 0.00 O ATOM 1799 CB ARG A 113 -11.924 -13.166 11.087 1.00 0.00 C ATOM 1800 CG ARG A 113 -11.233 -13.924 9.966 1.00 0.00 C ATOM 1801 CD ARG A 113 -9.734 -14.017 10.196 1.00 0.00 C ATOM 1802 NE ARG A 113 -9.147 -15.176 9.527 1.00 0.00 N ATOM 1803 CZ ARG A 113 -9.317 -16.431 9.934 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -10.056 -16.696 11.005 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -8.748 -17.427 9.268 1.00 0.00 N ATOM 0 H ARG A 113 -11.814 -10.719 10.757 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.480 -12.743 9.668 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.204 -12.500 11.562 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.251 -13.876 11.847 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.653 -14.927 9.891 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.426 -13.426 9.016 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.255 -13.108 9.833 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.535 -14.077 11.266 1.00 0.00 H new ATOM 0 HE ARG A 113 -8.573 -15.013 8.699 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.497 -15.935 11.521 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.182 -17.661 11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.180 -17.231 8.444 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.878 -18.389 9.580 1.00 0.00 H new