USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=28 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 96 THR OG1 : rot 180:sc=-0.00536 USER MOD Set 1.2: A 97 ASN : amide:sc= 0 X(o=-0.0054,f=-0.0054) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -116:sc=-0.00903 (180deg=-0.44) USER MOD Set 2.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 23 TYR OH : rot 145:sc= -1.37 USER MOD Set 3.2: A 112 HIS :FLIP no HE2:sc= -14.7! C(o=-17!,f=-16!) USER MOD Set 4.1: A 20 THR OG1 : rot -61:sc= -1.53 USER MOD Set 4.2: A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 134:sc= -2.56! USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0485 USER MOD Single : A 24 SER OG : rot -79:sc= -0.03 USER MOD Single : A 27 SER OG : rot -73:sc= 0.935 USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= -0.291 (180deg=-1.06) USER MOD Single : A 29 GLN : amide:sc= -0.115 K(o=-0.11,f=-2.3) USER MOD Single : A 30 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.42) USER MOD Single : A 31 LYS NZ :NH3+ -135:sc= -1.05 (180deg=-2.72!) USER MOD Single : A 34 GLN : amide:sc= -3.76 K(o=-3.8,f=-8.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0319 X(o=-0.032,f=-0.42) 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 155:sc= -4.82! (180deg=-6.48!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.195 X(o=-0.2,f=0.036) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -155:sc= -0.165 (180deg=-0.731) 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 72 MET CE :methyl -173:sc= -3.24! (180deg=-3.61!) USER MOD Single : A 73 THR OG1 : rot 48:sc= -3.78! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 68:sc= -4.18! USER MOD Single : A 83 SER OG : rot 161:sc= -1.2! USER MOD Single : A 84 ASN : amide:sc= -0.0878 X(o=-0.088,f=-0.074) USER MOD Single : A 87 ASN : amide:sc= -2.52 K(o=-2.5,f=-10!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 134:sc= -7.55! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -2.352 3.979 14.929 1.00 0.00 N ATOM 194 CA TYR A 12 -2.451 5.437 14.893 1.00 0.00 C ATOM 195 C TYR A 12 -3.875 5.880 14.568 1.00 0.00 C ATOM 196 O TYR A 12 -4.604 6.342 15.446 1.00 0.00 O ATOM 197 CB TYR A 12 -1.466 5.995 13.853 1.00 0.00 C ATOM 198 CG TYR A 12 -0.557 4.928 13.282 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.309 4.230 14.108 1.00 0.00 C ATOM 200 CD2 TYR A 12 -0.592 4.595 11.935 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.116 3.231 13.617 1.00 0.00 C ATOM 202 CE2 TYR A 12 0.215 3.592 11.432 1.00 0.00 C ATOM 203 CZ TYR A 12 1.067 2.910 12.278 1.00 0.00 C ATOM 204 OH TYR A 12 1.872 1.911 11.782 1.00 0.00 O ATOM 0 HA TYR A 12 -2.195 5.829 15.878 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.025 6.463 13.043 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.860 6.775 14.314 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.351 4.476 15.159 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.258 5.126 11.272 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.785 2.700 14.278 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.179 3.343 10.382 1.00 0.00 H new ATOM 0 HH TYR A 12 1.344 1.323 11.203 1.00 0.00 H new ATOM 214 N GLY A 13 -4.267 5.732 13.307 1.00 0.00 N ATOM 215 CA GLY A 13 -5.604 6.120 12.901 1.00 0.00 C ATOM 216 C GLY A 13 -5.683 6.535 11.446 1.00 0.00 C ATOM 217 O GLY A 13 -6.129 5.762 10.599 1.00 0.00 O ATOM 0 H GLY A 13 -3.684 5.351 12.561 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.286 5.288 13.073 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.943 6.945 13.527 1.00 0.00 H new ATOM 221 N ILE A 14 -5.256 7.759 11.154 1.00 0.00 N ATOM 222 CA ILE A 14 -5.290 8.274 9.789 1.00 0.00 C ATOM 223 C ILE A 14 -4.547 7.349 8.830 1.00 0.00 C ATOM 224 O ILE A 14 -5.044 7.032 7.750 1.00 0.00 O ATOM 225 CB ILE A 14 -4.691 9.697 9.709 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.020 10.345 8.359 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.186 9.667 9.947 1.00 0.00 C ATOM 228 CD1 ILE A 14 -4.236 9.779 7.191 1.00 0.00 C ATOM 0 H ILE A 14 -4.883 8.412 11.843 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.338 8.319 9.491 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.142 10.302 10.496 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.085 10.224 8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.828 11.416 8.426 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.788 10.680 9.886 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.982 9.256 10.936 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.710 9.044 9.190 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.528 10.291 6.274 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.170 9.924 7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.446 8.714 7.094 1.00 0.00 H new ATOM 240 N GLU A 15 -3.358 6.914 9.232 1.00 0.00 N ATOM 241 CA GLU A 15 -2.559 6.022 8.403 1.00 0.00 C ATOM 242 C GLU A 15 -3.152 4.618 8.403 1.00 0.00 C ATOM 243 O GLU A 15 -3.031 3.883 7.423 1.00 0.00 O ATOM 244 CB GLU A 15 -1.110 5.988 8.897 1.00 0.00 C ATOM 245 CG GLU A 15 -0.131 6.655 7.943 1.00 0.00 C ATOM 246 CD GLU A 15 0.911 7.486 8.666 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.866 6.896 9.212 1.00 0.00 O ATOM 248 OE2 GLU A 15 0.773 8.727 8.684 1.00 0.00 O ATOM 0 H GLU A 15 -2.928 7.164 10.123 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.569 6.401 7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.053 6.481 9.868 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.810 4.951 9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.368 5.891 7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.681 7.291 7.250 1.00 0.00 H new ATOM 255 N GLY A 16 -3.802 4.255 9.504 1.00 0.00 N ATOM 256 CA GLY A 16 -4.415 2.944 9.599 1.00 0.00 C ATOM 257 C GLY A 16 -5.722 2.877 8.839 1.00 0.00 C ATOM 258 O GLY A 16 -6.109 1.818 8.346 1.00 0.00 O ATOM 0 H GLY A 16 -3.915 4.844 10.329 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.729 2.193 9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.591 2.700 10.647 1.00 0.00 H new ATOM 262 N ARG A 17 -6.402 4.017 8.737 1.00 0.00 N ATOM 263 CA ARG A 17 -7.669 4.087 8.024 1.00 0.00 C ATOM 264 C ARG A 17 -7.444 3.996 6.520 1.00 0.00 C ATOM 265 O ARG A 17 -8.328 3.578 5.777 1.00 0.00 O ATOM 266 CB ARG A 17 -8.405 5.384 8.366 1.00 0.00 C ATOM 267 CG ARG A 17 -9.848 5.409 7.891 1.00 0.00 C ATOM 268 CD ARG A 17 -10.387 6.828 7.822 1.00 0.00 C ATOM 269 NE ARG A 17 -11.304 7.011 6.699 1.00 0.00 N ATOM 270 CZ ARG A 17 -12.521 6.475 6.641 1.00 0.00 C ATOM 271 NH1 ARG A 17 -12.971 5.722 7.638 1.00 0.00 N ATOM 272 NH2 ARG A 17 -13.292 6.691 5.584 1.00 0.00 N ATOM 0 H ARG A 17 -6.095 4.902 9.140 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.282 3.242 8.337 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.384 5.529 9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.870 6.223 7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.916 4.944 6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.465 4.817 8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.902 7.066 8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.556 7.527 7.729 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.993 7.583 5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.383 5.552 8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.904 5.314 7.588 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.953 7.268 4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.224 6.280 5.540 1.00 0.00 H new ATOM 286 N TYR A 18 -6.249 4.381 6.074 1.00 0.00 N ATOM 287 CA TYR A 18 -5.913 4.326 4.657 1.00 0.00 C ATOM 288 C TYR A 18 -6.128 2.919 4.121 1.00 0.00 C ATOM 289 O TYR A 18 -6.798 2.722 3.108 1.00 0.00 O ATOM 290 CB TYR A 18 -4.456 4.744 4.441 1.00 0.00 C ATOM 291 CG TYR A 18 -4.292 6.131 3.869 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.798 7.241 4.530 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.624 6.331 2.667 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.645 8.512 4.011 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.465 7.597 2.141 1.00 0.00 C ATOM 296 CZ TYR A 18 -3.977 8.685 2.816 1.00 0.00 C ATOM 297 OH TYR A 18 -3.822 9.950 2.297 1.00 0.00 O ATOM 0 H TYR A 18 -5.502 4.733 6.673 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.564 5.016 4.119 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.929 4.691 5.393 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.979 4.028 3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.320 7.109 5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.222 5.481 2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.046 9.365 4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.942 7.735 1.206 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.328 9.899 1.452 1.00 0.00 H new ATOM 307 N ALA A 19 -5.557 1.946 4.816 1.00 0.00 N ATOM 308 CA ALA A 19 -5.689 0.555 4.422 1.00 0.00 C ATOM 309 C ALA A 19 -7.120 0.082 4.604 1.00 0.00 C ATOM 310 O ALA A 19 -7.664 -0.613 3.751 1.00 0.00 O ATOM 311 CB ALA A 19 -4.733 -0.316 5.225 1.00 0.00 C ATOM 0 H ALA A 19 -4.998 2.096 5.656 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.432 0.469 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.844 -1.356 4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.708 0.008 5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.962 -0.224 6.287 1.00 0.00 H new ATOM 317 N THR A 20 -7.731 0.465 5.717 1.00 0.00 N ATOM 318 CA THR A 20 -9.103 0.070 5.991 1.00 0.00 C ATOM 319 C THR A 20 -10.075 0.776 5.057 1.00 0.00 C ATOM 320 O THR A 20 -11.195 0.310 4.855 1.00 0.00 O ATOM 321 CB THR A 20 -9.470 0.335 7.450 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.455 1.079 8.100 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.681 -0.941 8.234 1.00 0.00 C ATOM 0 H THR A 20 -7.301 1.044 6.439 1.00 0.00 H new ATOM 0 HA THR A 20 -9.179 -1.002 5.811 1.00 0.00 H new ATOM 0 HB THR A 20 -10.404 0.897 7.425 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.619 0.567 8.093 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.940 -0.696 9.264 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.490 -1.515 7.783 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.765 -1.532 8.220 1.00 0.00 H new ATOM 331 N ALA A 21 -9.646 1.889 4.471 1.00 0.00 N ATOM 332 CA ALA A 21 -10.500 2.618 3.548 1.00 0.00 C ATOM 333 C ALA A 21 -10.235 2.189 2.111 1.00 0.00 C ATOM 334 O ALA A 21 -10.854 2.697 1.175 1.00 0.00 O ATOM 335 CB ALA A 21 -10.314 4.119 3.709 1.00 0.00 C ATOM 0 H ALA A 21 -8.724 2.300 4.618 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.537 2.379 3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.963 4.643 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.570 4.410 4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.275 4.381 3.507 1.00 0.00 H new ATOM 341 N LEU A 22 -9.335 1.227 1.947 1.00 0.00 N ATOM 342 CA LEU A 22 -9.010 0.698 0.632 1.00 0.00 C ATOM 343 C LEU A 22 -9.294 -0.783 0.625 1.00 0.00 C ATOM 344 O LEU A 22 -9.821 -1.330 -0.343 1.00 0.00 O ATOM 345 CB LEU A 22 -7.546 0.974 0.278 1.00 0.00 C ATOM 346 CG LEU A 22 -7.104 0.488 -1.104 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.861 -1.013 -1.091 1.00 0.00 C ATOM 348 CD2 LEU A 22 -8.137 0.855 -2.161 1.00 0.00 C ATOM 0 H LEU A 22 -8.816 0.797 2.713 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.624 1.192 -0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.371 2.048 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.913 0.503 1.030 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.167 0.985 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.548 -1.339 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.080 -1.249 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.781 -1.528 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.802 0.500 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.091 0.390 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.258 1.938 -2.191 1.00 0.00 H new ATOM 360 N TYR A 23 -8.981 -1.419 1.740 1.00 0.00 N ATOM 361 CA TYR A 23 -9.242 -2.822 1.897 1.00 0.00 C ATOM 362 C TYR A 23 -10.711 -3.017 2.264 1.00 0.00 C ATOM 363 O TYR A 23 -11.259 -4.097 2.072 1.00 0.00 O ATOM 364 CB TYR A 23 -8.299 -3.425 2.949 1.00 0.00 C ATOM 365 CG TYR A 23 -8.990 -3.981 4.171 1.00 0.00 C ATOM 366 CD1 TYR A 23 -9.781 -5.110 4.075 1.00 0.00 C ATOM 367 CD2 TYR A 23 -8.860 -3.373 5.411 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.425 -5.629 5.172 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.501 -3.880 6.517 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.283 -5.011 6.399 1.00 0.00 C ATOM 371 OH TYR A 23 -10.924 -5.518 7.505 1.00 0.00 O ATOM 0 H TYR A 23 -8.544 -0.976 2.548 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.051 -3.346 0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.718 -4.221 2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.592 -2.658 3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.895 -5.595 3.117 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.247 -2.489 5.509 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.037 -6.513 5.076 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.393 -3.394 7.476 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.362 -5.387 8.297 1.00 0.00 H new ATOM 381 N SER A 24 -11.363 -1.956 2.771 1.00 0.00 N ATOM 382 CA SER A 24 -12.777 -2.045 3.126 1.00 0.00 C ATOM 383 C SER A 24 -13.552 -2.643 1.961 1.00 0.00 C ATOM 384 O SER A 24 -14.401 -3.515 2.143 1.00 0.00 O ATOM 385 CB SER A 24 -13.340 -0.668 3.480 1.00 0.00 C ATOM 386 OG SER A 24 -12.685 0.356 2.753 1.00 0.00 O ATOM 0 H SER A 24 -10.936 -1.045 2.939 1.00 0.00 H new ATOM 0 HA SER A 24 -12.879 -2.686 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.408 -0.643 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.225 -0.489 4.549 1.00 0.00 H new ATOM 0 HG SER A 24 -11.822 0.554 3.173 1.00 0.00 H new ATOM 392 N ALA A 25 -13.216 -2.190 0.757 1.00 0.00 N ATOM 393 CA ALA A 25 -13.842 -2.705 -0.448 1.00 0.00 C ATOM 394 C ALA A 25 -13.356 -4.121 -0.688 1.00 0.00 C ATOM 395 O ALA A 25 -14.117 -4.993 -1.109 1.00 0.00 O ATOM 396 CB ALA A 25 -13.525 -1.815 -1.640 1.00 0.00 C ATOM 0 H ALA A 25 -12.514 -1.468 0.594 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.925 -2.712 -0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.003 -2.218 -2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.898 -0.808 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.446 -1.780 -1.791 1.00 0.00 H new ATOM 402 N ALA A 26 -12.079 -4.345 -0.392 1.00 0.00 N ATOM 403 CA ALA A 26 -11.483 -5.664 -0.548 1.00 0.00 C ATOM 404 C ALA A 26 -12.052 -6.644 0.475 1.00 0.00 C ATOM 405 O ALA A 26 -12.066 -7.853 0.251 1.00 0.00 O ATOM 406 CB ALA A 26 -9.971 -5.582 -0.415 1.00 0.00 C ATOM 0 H ALA A 26 -11.440 -3.631 -0.044 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.728 -6.031 -1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.541 -6.576 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.573 -4.920 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.713 -5.191 0.569 1.00 0.00 H new ATOM 412 N SER A 27 -12.524 -6.110 1.599 1.00 0.00 N ATOM 413 CA SER A 27 -13.101 -6.928 2.658 1.00 0.00 C ATOM 414 C SER A 27 -14.437 -7.506 2.210 1.00 0.00 C ATOM 415 O SER A 27 -14.692 -8.701 2.362 1.00 0.00 O ATOM 416 CB SER A 27 -13.287 -6.096 3.931 1.00 0.00 C ATOM 417 OG SER A 27 -14.575 -5.504 3.976 1.00 0.00 O ATOM 0 H SER A 27 -12.517 -5.110 1.798 1.00 0.00 H new ATOM 0 HA SER A 27 -12.418 -7.750 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.145 -6.730 4.806 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.525 -5.318 3.974 1.00 0.00 H new ATOM 0 HG SER A 27 -14.621 -4.770 3.328 1.00 0.00 H new ATOM 423 N LYS A 28 -15.284 -6.648 1.643 1.00 0.00 N ATOM 424 CA LYS A 28 -16.591 -7.076 1.157 1.00 0.00 C ATOM 425 C LYS A 28 -16.436 -8.245 0.194 1.00 0.00 C ATOM 426 O LYS A 28 -17.291 -9.128 0.124 1.00 0.00 O ATOM 427 CB LYS A 28 -17.310 -5.916 0.465 1.00 0.00 C ATOM 428 CG LYS A 28 -18.800 -6.148 0.279 1.00 0.00 C ATOM 429 CD LYS A 28 -19.575 -4.841 0.309 1.00 0.00 C ATOM 430 CE LYS A 28 -21.029 -5.065 0.695 1.00 0.00 C ATOM 431 NZ LYS A 28 -21.156 -5.759 2.007 1.00 0.00 N ATOM 0 H LYS A 28 -15.088 -5.656 1.510 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.190 -7.398 2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.162 -5.008 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.853 -5.746 -0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.975 -6.654 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.167 -6.808 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.110 -4.157 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.526 -4.365 -0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.544 -4.106 0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -21.523 -5.655 -0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -22.054 -5.489 2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -21.139 -6.788 1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.364 -5.485 2.623 1.00 0.00 H new ATOM 445 N GLN A 29 -15.326 -8.247 -0.537 1.00 0.00 N ATOM 446 CA GLN A 29 -15.036 -9.309 -1.486 1.00 0.00 C ATOM 447 C GLN A 29 -14.295 -10.445 -0.792 1.00 0.00 C ATOM 448 O GLN A 29 -14.587 -11.618 -1.026 1.00 0.00 O ATOM 449 CB GLN A 29 -14.202 -8.773 -2.650 1.00 0.00 C ATOM 450 CG GLN A 29 -14.892 -7.670 -3.437 1.00 0.00 C ATOM 451 CD GLN A 29 -14.137 -7.291 -4.696 1.00 0.00 C ATOM 452 OE1 GLN A 29 -13.592 -8.150 -5.389 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.101 -5.999 -4.998 1.00 0.00 N ATOM 0 H GLN A 29 -14.612 -7.521 -0.488 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.979 -9.689 -1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.256 -8.395 -2.264 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.965 -9.595 -3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.898 -7.995 -3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.999 -6.790 -2.803 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.567 -5.321 -4.395 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.607 -5.684 -5.833 1.00 0.00 H new ATOM 462 N ASN A 30 -13.330 -10.078 0.060 1.00 0.00 N ATOM 463 CA ASN A 30 -12.518 -11.041 0.808 1.00 0.00 C ATOM 464 C ASN A 30 -11.163 -11.201 0.142 1.00 0.00 C ATOM 465 O ASN A 30 -10.563 -12.276 0.168 1.00 0.00 O ATOM 466 CB ASN A 30 -13.208 -12.405 0.930 1.00 0.00 C ATOM 467 CG ASN A 30 -12.632 -13.247 2.050 1.00 0.00 C ATOM 468 OD1 ASN A 30 -12.476 -12.778 3.178 1.00 0.00 O ATOM 469 ND2 ASN A 30 -12.311 -14.499 1.745 1.00 0.00 N ATOM 0 H ASN A 30 -13.091 -9.105 0.249 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.388 -10.649 1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.274 -12.256 1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.111 -12.944 -0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.918 -15.113 2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.457 -14.847 0.797 1.00 0.00 H new ATOM 476 N LYS A 31 -10.690 -10.117 -0.458 1.00 0.00 N ATOM 477 CA LYS A 31 -9.409 -10.120 -1.138 1.00 0.00 C ATOM 478 C LYS A 31 -8.276 -9.752 -0.187 1.00 0.00 C ATOM 479 O LYS A 31 -7.151 -9.537 -0.624 1.00 0.00 O ATOM 480 CB LYS A 31 -9.434 -9.149 -2.320 1.00 0.00 C ATOM 481 CG LYS A 31 -9.975 -9.764 -3.600 1.00 0.00 C ATOM 482 CD LYS A 31 -11.489 -9.893 -3.560 1.00 0.00 C ATOM 483 CE LYS A 31 -11.991 -10.887 -4.594 1.00 0.00 C ATOM 484 NZ LYS A 31 -13.140 -11.686 -4.084 1.00 0.00 N ATOM 0 H LYS A 31 -11.179 -9.222 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.229 -11.130 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.043 -8.284 -2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.423 -8.784 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.684 -9.149 -4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.529 -10.747 -3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.802 -10.212 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.943 -8.919 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.292 -10.353 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.180 -11.558 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.000 -12.688 -4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.203 -11.583 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.021 -11.345 -4.520 1.00 0.00 H new ATOM 498 N LEU A 32 -8.568 -9.687 1.117 1.00 0.00 N ATOM 499 CA LEU A 32 -7.554 -9.353 2.111 1.00 0.00 C ATOM 500 C LEU A 32 -6.257 -10.107 1.844 1.00 0.00 C ATOM 501 O LEU A 32 -5.171 -9.621 2.149 1.00 0.00 O ATOM 502 CB LEU A 32 -8.091 -9.666 3.501 1.00 0.00 C ATOM 503 CG LEU A 32 -9.019 -8.593 4.071 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.202 -7.559 4.832 1.00 0.00 C ATOM 505 CD2 LEU A 32 -9.834 -7.933 2.965 1.00 0.00 C ATOM 0 H LEU A 32 -9.496 -9.861 1.503 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.329 -8.288 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.628 -10.614 3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.250 -9.802 4.181 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.720 -9.065 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.867 -6.796 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.669 -8.046 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.484 -7.094 4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.486 -7.174 3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.161 -7.467 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.439 -8.686 2.460 1.00 0.00 H new ATOM 517 N GLU A 33 -6.377 -11.285 1.242 1.00 0.00 N ATOM 518 CA GLU A 33 -5.208 -12.085 0.902 1.00 0.00 C ATOM 519 C GLU A 33 -4.528 -11.500 -0.332 1.00 0.00 C ATOM 520 O GLU A 33 -3.304 -11.523 -0.456 1.00 0.00 O ATOM 521 CB GLU A 33 -5.605 -13.540 0.649 1.00 0.00 C ATOM 522 CG GLU A 33 -5.723 -14.368 1.918 1.00 0.00 C ATOM 523 CD GLU A 33 -5.167 -15.769 1.753 1.00 0.00 C ATOM 524 OE1 GLU A 33 -5.819 -16.591 1.075 1.00 0.00 O ATOM 525 OE2 GLU A 33 -4.079 -16.045 2.300 1.00 0.00 O ATOM 0 H GLU A 33 -7.269 -11.705 0.980 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.511 -12.064 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.559 -13.561 0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.867 -14.000 -0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.194 -13.864 2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.771 -14.429 2.212 1.00 0.00 H new ATOM 532 N GLN A 34 -5.343 -10.957 -1.233 1.00 0.00 N ATOM 533 CA GLN A 34 -4.848 -10.338 -2.456 1.00 0.00 C ATOM 534 C GLN A 34 -4.596 -8.843 -2.250 1.00 0.00 C ATOM 535 O GLN A 34 -4.345 -8.114 -3.208 1.00 0.00 O ATOM 536 CB GLN A 34 -5.842 -10.551 -3.601 1.00 0.00 C ATOM 537 CG GLN A 34 -5.236 -11.250 -4.807 1.00 0.00 C ATOM 538 CD GLN A 34 -5.014 -10.310 -5.977 1.00 0.00 C ATOM 539 OE1 GLN A 34 -5.856 -10.202 -6.868 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.876 -9.625 -5.980 1.00 0.00 N ATOM 0 H GLN A 34 -6.358 -10.934 -1.136 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.902 -10.813 -2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.684 -11.138 -3.236 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.238 -9.584 -3.912 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.285 -11.699 -4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.892 -12.063 -5.118 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.206 -9.746 -5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.672 -8.978 -6.742 1.00 0.00 H new ATOM 549 N VAL A 35 -4.658 -8.396 -0.995 1.00 0.00 N ATOM 550 CA VAL A 35 -4.422 -6.991 -0.664 1.00 0.00 C ATOM 551 C VAL A 35 -3.428 -6.868 0.491 1.00 0.00 C ATOM 552 O VAL A 35 -2.653 -5.913 0.557 1.00 0.00 O ATOM 553 CB VAL A 35 -5.717 -6.240 -0.263 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.627 -4.780 -0.676 1.00 0.00 C ATOM 555 CG2 VAL A 35 -6.965 -6.889 -0.856 1.00 0.00 C ATOM 0 H VAL A 35 -4.870 -8.987 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.023 -6.536 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.808 -6.300 0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.543 -4.263 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.776 -4.313 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.497 -4.715 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.848 -6.329 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.895 -6.886 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.045 -7.916 -0.500 1.00 0.00 H new ATOM 565 N GLU A 36 -3.461 -7.840 1.401 1.00 0.00 N ATOM 566 CA GLU A 36 -2.567 -7.842 2.555 1.00 0.00 C ATOM 567 C GLU A 36 -1.127 -8.031 2.109 1.00 0.00 C ATOM 568 O GLU A 36 -0.208 -7.427 2.663 1.00 0.00 O ATOM 569 CB GLU A 36 -2.959 -8.947 3.538 1.00 0.00 C ATOM 570 CG GLU A 36 -2.081 -9.000 4.777 1.00 0.00 C ATOM 571 CD GLU A 36 -1.749 -10.419 5.196 1.00 0.00 C ATOM 572 OE1 GLU A 36 -0.976 -11.085 4.478 1.00 0.00 O ATOM 573 OE2 GLU A 36 -2.264 -10.863 6.244 1.00 0.00 O ATOM 0 H GLU A 36 -4.098 -8.636 1.361 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.657 -6.879 3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.995 -8.799 3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.911 -9.909 3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.156 -8.456 4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.586 -8.491 5.598 1.00 0.00 H new ATOM 580 N LYS A 37 -0.941 -8.856 1.088 1.00 0.00 N ATOM 581 CA LYS A 37 0.384 -9.104 0.546 1.00 0.00 C ATOM 582 C LYS A 37 0.809 -7.908 -0.288 1.00 0.00 C ATOM 583 O LYS A 37 1.992 -7.580 -0.376 1.00 0.00 O ATOM 584 CB LYS A 37 0.390 -10.374 -0.306 1.00 0.00 C ATOM 585 CG LYS A 37 0.755 -11.627 0.474 1.00 0.00 C ATOM 586 CD LYS A 37 2.239 -11.938 0.364 1.00 0.00 C ATOM 587 CE LYS A 37 2.489 -13.434 0.258 1.00 0.00 C ATOM 588 NZ LYS A 37 2.611 -14.073 1.597 1.00 0.00 N ATOM 0 H LYS A 37 -1.692 -9.364 0.620 1.00 0.00 H new ATOM 0 HA LYS A 37 1.087 -9.247 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.596 -10.507 -0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.096 -10.248 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.486 -11.496 1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.176 -12.472 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.653 -11.436 -0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.760 -11.542 1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.673 -13.900 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.401 -13.610 -0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.781 -15.092 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.406 -13.646 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.731 -13.927 2.133 1.00 0.00 H new ATOM 602 N GLU A 38 -0.179 -7.254 -0.887 1.00 0.00 N ATOM 603 CA GLU A 38 0.058 -6.083 -1.704 1.00 0.00 C ATOM 604 C GLU A 38 0.600 -4.936 -0.855 1.00 0.00 C ATOM 605 O GLU A 38 1.673 -4.399 -1.125 1.00 0.00 O ATOM 606 CB GLU A 38 -1.245 -5.668 -2.381 1.00 0.00 C ATOM 607 CG GLU A 38 -2.022 -6.831 -2.981 1.00 0.00 C ATOM 608 CD GLU A 38 -1.243 -7.580 -4.047 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.017 -7.751 -3.880 1.00 0.00 O ATOM 610 OE2 GLU A 38 -1.861 -8.000 -5.047 1.00 0.00 O ATOM 0 H GLU A 38 -1.160 -7.523 -0.817 1.00 0.00 H new ATOM 0 HA GLU A 38 0.802 -6.324 -2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.876 -5.159 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.022 -4.948 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.298 -7.524 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.950 -6.456 -3.413 1.00 0.00 H new ATOM 617 N LEU A 39 -0.147 -4.566 0.179 1.00 0.00 N ATOM 618 CA LEU A 39 0.265 -3.487 1.066 1.00 0.00 C ATOM 619 C LEU A 39 1.602 -3.812 1.725 1.00 0.00 C ATOM 620 O LEU A 39 2.433 -2.929 1.934 1.00 0.00 O ATOM 621 CB LEU A 39 -0.801 -3.241 2.136 1.00 0.00 C ATOM 622 CG LEU A 39 -1.811 -2.140 1.803 1.00 0.00 C ATOM 623 CD1 LEU A 39 -3.202 -2.526 2.284 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.378 -0.818 2.420 1.00 0.00 C ATOM 0 H LEU A 39 -1.039 -4.997 0.423 1.00 0.00 H new ATOM 0 HA LEU A 39 0.383 -2.582 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.343 -4.171 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.303 -2.985 3.071 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.846 -2.020 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.906 -1.731 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.513 -3.449 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.185 -2.675 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.107 -0.046 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.315 -0.925 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.402 -0.535 2.026 1.00 0.00 H new ATOM 636 N LEU A 40 1.805 -5.087 2.042 1.00 0.00 N ATOM 637 CA LEU A 40 3.042 -5.529 2.672 1.00 0.00 C ATOM 638 C LEU A 40 4.202 -5.480 1.683 1.00 0.00 C ATOM 639 O LEU A 40 5.362 -5.357 2.078 1.00 0.00 O ATOM 640 CB LEU A 40 2.882 -6.949 3.219 1.00 0.00 C ATOM 641 CG LEU A 40 3.846 -7.320 4.347 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.202 -8.326 5.290 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.143 -7.876 3.778 1.00 0.00 C ATOM 0 H LEU A 40 1.128 -5.831 1.873 1.00 0.00 H new ATOM 0 HA LEU A 40 3.262 -4.853 3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.861 -7.070 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.016 -7.655 2.400 1.00 0.00 H new ATOM 0 HG LEU A 40 4.077 -6.418 4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.902 -8.578 6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.300 -7.893 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.941 -9.228 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.817 -8.135 4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.929 -8.767 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.613 -7.125 3.143 1.00 0.00 H new ATOM 655 N ARG A 41 3.884 -5.578 0.395 1.00 0.00 N ATOM 656 CA ARG A 41 4.901 -5.544 -0.647 1.00 0.00 C ATOM 657 C ARG A 41 5.458 -4.135 -0.818 1.00 0.00 C ATOM 658 O ARG A 41 6.666 -3.949 -0.965 1.00 0.00 O ATOM 659 CB ARG A 41 4.323 -6.043 -1.973 1.00 0.00 C ATOM 660 CG ARG A 41 5.217 -7.043 -2.688 1.00 0.00 C ATOM 661 CD ARG A 41 4.950 -8.464 -2.220 1.00 0.00 C ATOM 662 NE ARG A 41 5.906 -9.415 -2.784 1.00 0.00 N ATOM 663 CZ ARG A 41 6.068 -10.658 -2.335 1.00 0.00 C ATOM 664 NH1 ARG A 41 5.340 -11.104 -1.317 1.00 0.00 N ATOM 665 NH2 ARG A 41 6.959 -11.457 -2.904 1.00 0.00 N ATOM 0 H ARG A 41 2.930 -5.682 0.050 1.00 0.00 H new ATOM 0 HA ARG A 41 5.715 -6.203 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.353 -6.504 -1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.150 -5.189 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.052 -6.976 -3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.262 -6.791 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.999 -8.503 -1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.939 -8.755 -2.504 1.00 0.00 H new ATOM 0 HE ARG A 41 6.483 -9.108 -3.567 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.653 -10.493 -0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.468 -12.057 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.521 -11.120 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.083 -12.409 -2.560 1.00 0.00 H new ATOM 679 N VAL A 42 4.571 -3.143 -0.798 1.00 0.00 N ATOM 680 CA VAL A 42 4.984 -1.754 -0.951 1.00 0.00 C ATOM 681 C VAL A 42 5.887 -1.321 0.197 1.00 0.00 C ATOM 682 O VAL A 42 6.741 -0.449 0.035 1.00 0.00 O ATOM 683 CB VAL A 42 3.770 -0.808 -1.024 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.213 0.608 -1.362 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.759 -1.315 -2.042 1.00 0.00 C ATOM 0 H VAL A 42 3.567 -3.276 -0.678 1.00 0.00 H new ATOM 0 HA VAL A 42 5.537 -1.690 -1.888 1.00 0.00 H new ATOM 0 HB VAL A 42 3.289 -0.789 -0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.341 1.261 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.896 0.969 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.720 0.610 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.908 -0.634 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.227 -1.366 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.416 -2.308 -1.751 1.00 0.00 H new ATOM 695 N GLY A 43 5.700 -1.940 1.358 1.00 0.00 N ATOM 696 CA GLY A 43 6.512 -1.608 2.513 1.00 0.00 C ATOM 697 C GLY A 43 7.943 -2.080 2.359 1.00 0.00 C ATOM 698 O GLY A 43 8.883 -1.334 2.635 1.00 0.00 O ATOM 0 H GLY A 43 5.001 -2.665 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.501 -0.529 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.076 -2.060 3.404 1.00 0.00 H new ATOM 702 N GLN A 44 8.109 -3.320 1.911 1.00 0.00 N ATOM 703 CA GLN A 44 9.437 -3.886 1.713 1.00 0.00 C ATOM 704 C GLN A 44 10.212 -3.073 0.683 1.00 0.00 C ATOM 705 O GLN A 44 11.431 -2.939 0.770 1.00 0.00 O ATOM 706 CB GLN A 44 9.334 -5.344 1.261 1.00 0.00 C ATOM 707 CG GLN A 44 10.436 -6.231 1.815 1.00 0.00 C ATOM 708 CD GLN A 44 10.972 -7.208 0.787 1.00 0.00 C ATOM 709 OE1 GLN A 44 10.238 -7.673 -0.085 1.00 0.00 O ATOM 710 NE2 GLN A 44 12.257 -7.523 0.884 1.00 0.00 N ATOM 0 H GLN A 44 7.342 -3.951 1.679 1.00 0.00 H new ATOM 0 HA GLN A 44 9.971 -3.851 2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.368 -5.744 1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.362 -5.381 0.172 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.253 -5.606 2.177 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.054 -6.785 2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.828 -7.113 1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.674 -8.175 0.219 1.00 0.00 H new ATOM 719 N ILE A 45 9.489 -2.525 -0.290 1.00 0.00 N ATOM 720 CA ILE A 45 10.100 -1.716 -1.335 1.00 0.00 C ATOM 721 C ILE A 45 10.764 -0.479 -0.738 1.00 0.00 C ATOM 722 O ILE A 45 11.949 -0.230 -0.959 1.00 0.00 O ATOM 723 CB ILE A 45 9.055 -1.285 -2.387 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.441 -2.518 -3.054 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.678 -0.369 -3.435 1.00 0.00 C ATOM 726 CD1 ILE A 45 7.103 -2.248 -3.706 1.00 0.00 C ATOM 0 H ILE A 45 8.478 -2.628 -0.375 1.00 0.00 H new ATOM 0 HA ILE A 45 10.857 -2.328 -1.825 1.00 0.00 H new ATOM 0 HB ILE A 45 8.268 -0.728 -1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.133 -2.897 -3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.321 -3.303 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.920 -0.081 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.073 0.524 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.487 -0.894 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.727 -3.166 -4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.396 -1.898 -2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.221 -1.486 -4.476 1.00 0.00 H new ATOM 738 N LEU A 46 9.994 0.296 0.017 1.00 0.00 N ATOM 739 CA LEU A 46 10.513 1.506 0.642 1.00 0.00 C ATOM 740 C LEU A 46 11.609 1.170 1.642 1.00 0.00 C ATOM 741 O LEU A 46 12.626 1.861 1.722 1.00 0.00 O ATOM 742 CB LEU A 46 9.386 2.267 1.335 1.00 0.00 C ATOM 743 CG LEU A 46 8.628 3.237 0.434 1.00 0.00 C ATOM 744 CD1 LEU A 46 7.862 2.477 -0.638 1.00 0.00 C ATOM 745 CD2 LEU A 46 7.689 4.112 1.253 1.00 0.00 C ATOM 0 H LEU A 46 9.010 0.108 0.211 1.00 0.00 H new ATOM 0 HA LEU A 46 10.940 2.137 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.679 1.547 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.803 2.822 2.175 1.00 0.00 H new ATOM 0 HG LEU A 46 9.351 3.888 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.327 3.183 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.561 1.901 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.149 1.801 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.159 4.796 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.969 3.483 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.266 4.685 1.979 1.00 0.00 H new ATOM 757 N LYS A 47 11.401 0.099 2.395 1.00 0.00 N ATOM 758 CA LYS A 47 12.376 -0.340 3.384 1.00 0.00 C ATOM 759 C LYS A 47 13.589 -0.955 2.696 1.00 0.00 C ATOM 760 O LYS A 47 14.673 -1.028 3.275 1.00 0.00 O ATOM 761 CB LYS A 47 11.746 -1.354 4.341 1.00 0.00 C ATOM 762 CG LYS A 47 12.644 -1.728 5.507 1.00 0.00 C ATOM 763 CD LYS A 47 13.516 -2.929 5.176 1.00 0.00 C ATOM 764 CE LYS A 47 12.936 -4.214 5.742 1.00 0.00 C ATOM 765 NZ LYS A 47 13.575 -4.591 7.034 1.00 0.00 N ATOM 0 H LYS A 47 10.565 -0.483 2.340 1.00 0.00 H new ATOM 0 HA LYS A 47 12.700 0.529 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.813 -0.945 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.492 -2.256 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.276 -0.879 5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.033 -1.951 6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.616 -3.020 4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.518 -2.774 5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.863 -4.094 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.070 -5.021 5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.151 -5.473 7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.595 -4.731 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.425 -3.833 7.730 1.00 0.00 H new ATOM 779 N GLU A 48 13.397 -1.394 1.455 1.00 0.00 N ATOM 780 CA GLU A 48 14.471 -2.000 0.684 1.00 0.00 C ATOM 781 C GLU A 48 15.524 -0.956 0.310 1.00 0.00 C ATOM 782 O GLU A 48 15.211 0.039 -0.345 1.00 0.00 O ATOM 783 CB GLU A 48 13.907 -2.652 -0.582 1.00 0.00 C ATOM 784 CG GLU A 48 13.821 -4.167 -0.499 1.00 0.00 C ATOM 785 CD GLU A 48 13.774 -4.824 -1.864 1.00 0.00 C ATOM 786 OE1 GLU A 48 12.778 -4.619 -2.589 1.00 0.00 O ATOM 787 OE2 GLU A 48 14.736 -5.543 -2.210 1.00 0.00 O ATOM 0 H GLU A 48 12.505 -1.340 0.964 1.00 0.00 H new ATOM 0 HA GLU A 48 14.946 -2.765 1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.913 -2.250 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.533 -2.378 -1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.681 -4.546 0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.931 -4.446 0.065 1.00 0.00 H new ATOM 794 N PRO A 49 16.788 -1.163 0.721 1.00 0.00 N ATOM 795 CA PRO A 49 17.875 -0.225 0.419 1.00 0.00 C ATOM 796 C PRO A 49 18.014 0.042 -1.076 1.00 0.00 C ATOM 797 O PRO A 49 18.572 1.061 -1.484 1.00 0.00 O ATOM 798 CB PRO A 49 19.123 -0.932 0.956 1.00 0.00 C ATOM 799 CG PRO A 49 18.614 -1.879 1.985 1.00 0.00 C ATOM 800 CD PRO A 49 17.259 -2.318 1.507 1.00 0.00 C ATOM 0 HA PRO A 49 17.701 0.753 0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.651 -1.459 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.826 -0.219 1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.284 -2.732 2.096 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.547 -1.397 2.960 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.320 -3.221 0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.590 -2.538 2.339 1.00 0.00 H new ATOM 808 N LYS A 50 17.497 -0.874 -1.890 1.00 0.00 N ATOM 809 CA LYS A 50 17.558 -0.728 -3.339 1.00 0.00 C ATOM 810 C LYS A 50 16.279 -0.087 -3.869 1.00 0.00 C ATOM 811 O LYS A 50 15.883 -0.318 -5.012 1.00 0.00 O ATOM 812 CB LYS A 50 17.776 -2.089 -4.003 1.00 0.00 C ATOM 813 CG LYS A 50 16.620 -3.058 -3.798 1.00 0.00 C ATOM 814 CD LYS A 50 16.023 -3.505 -5.124 1.00 0.00 C ATOM 815 CE LYS A 50 14.505 -3.572 -5.057 1.00 0.00 C ATOM 816 NZ LYS A 50 13.968 -4.747 -5.798 1.00 0.00 N ATOM 0 H LYS A 50 17.032 -1.724 -1.570 1.00 0.00 H new ATOM 0 HA LYS A 50 18.399 -0.079 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.931 -1.942 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.688 -2.535 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.968 -3.929 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.848 -2.582 -3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.323 -2.813 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.420 -4.484 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.190 -3.625 -4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.082 -2.657 -5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.930 -4.757 -5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.247 -4.684 -6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.351 -5.622 -5.386 1.00 0.00 H new ATOM 830 N MET A 51 15.636 0.719 -3.028 1.00 0.00 N ATOM 831 CA MET A 51 14.401 1.394 -3.405 1.00 0.00 C ATOM 832 C MET A 51 14.170 2.636 -2.546 1.00 0.00 C ATOM 833 O MET A 51 13.680 3.654 -3.035 1.00 0.00 O ATOM 834 CB MET A 51 13.212 0.440 -3.274 1.00 0.00 C ATOM 835 CG MET A 51 12.792 -0.198 -4.589 1.00 0.00 C ATOM 836 SD MET A 51 12.369 1.019 -5.852 1.00 0.00 S ATOM 837 CE MET A 51 10.905 1.762 -5.138 1.00 0.00 C ATOM 0 H MET A 51 15.952 0.920 -2.079 1.00 0.00 H new ATOM 0 HA MET A 51 14.494 1.708 -4.445 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.465 -0.347 -2.563 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.365 0.985 -2.858 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.601 -0.830 -4.956 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.934 -0.848 -4.415 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.782 2.772 -5.529 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.031 1.164 -5.396 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.010 1.803 -4.054 1.00 0.00 H new ATOM 847 N ALA A 52 14.524 2.548 -1.265 1.00 0.00 N ATOM 848 CA ALA A 52 14.350 3.669 -0.348 1.00 0.00 C ATOM 849 C ALA A 52 15.062 4.915 -0.864 1.00 0.00 C ATOM 850 O ALA A 52 14.498 6.009 -0.863 1.00 0.00 O ATOM 851 CB ALA A 52 14.862 3.302 1.036 1.00 0.00 C ATOM 0 H ALA A 52 14.931 1.714 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 52 13.285 3.892 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.726 4.148 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.306 2.444 1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.921 3.051 0.977 1.00 0.00 H new ATOM 857 N ALA A 53 16.301 4.740 -1.309 1.00 0.00 N ATOM 858 CA ALA A 53 17.087 5.849 -1.833 1.00 0.00 C ATOM 859 C ALA A 53 16.512 6.352 -3.153 1.00 0.00 C ATOM 860 O ALA A 53 16.695 7.513 -3.519 1.00 0.00 O ATOM 861 CB ALA A 53 18.538 5.428 -2.013 1.00 0.00 C ATOM 0 H ALA A 53 16.782 3.841 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 53 17.044 6.666 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.114 6.266 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.950 5.123 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.591 4.593 -2.712 1.00 0.00 H new ATOM 867 N SER A 54 15.817 5.470 -3.864 1.00 0.00 N ATOM 868 CA SER A 54 15.214 5.823 -5.145 1.00 0.00 C ATOM 869 C SER A 54 13.897 6.565 -4.942 1.00 0.00 C ATOM 870 O SER A 54 13.612 7.543 -5.633 1.00 0.00 O ATOM 871 CB SER A 54 14.980 4.567 -5.986 1.00 0.00 C ATOM 872 OG SER A 54 16.210 3.986 -6.387 1.00 0.00 O ATOM 0 H SER A 54 15.657 4.505 -3.575 1.00 0.00 H new ATOM 0 HA SER A 54 15.904 6.482 -5.672 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.402 3.843 -5.411 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.389 4.820 -6.866 1.00 0.00 H new ATOM 0 HG SER A 54 16.034 3.184 -6.922 1.00 0.00 H new ATOM 878 N LEU A 55 13.097 6.094 -3.992 1.00 0.00 N ATOM 879 CA LEU A 55 11.809 6.714 -3.701 1.00 0.00 C ATOM 880 C LEU A 55 11.994 8.045 -2.978 1.00 0.00 C ATOM 881 O LEU A 55 11.153 8.938 -3.078 1.00 0.00 O ATOM 882 CB LEU A 55 10.945 5.776 -2.855 1.00 0.00 C ATOM 883 CG LEU A 55 9.444 5.848 -3.140 1.00 0.00 C ATOM 884 CD1 LEU A 55 9.164 5.552 -4.605 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.686 4.883 -2.243 1.00 0.00 C ATOM 0 H LEU A 55 13.317 5.285 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 55 11.305 6.904 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.282 4.752 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.111 6.004 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 55 9.100 6.859 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.091 5.608 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.678 6.284 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.522 4.552 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.619 4.947 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.033 3.866 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.861 5.143 -1.199 1.00 0.00 H new ATOM 897 N LEU A 56 13.099 8.170 -2.250 1.00 0.00 N ATOM 898 CA LEU A 56 13.392 9.392 -1.511 1.00 0.00 C ATOM 899 C LEU A 56 13.937 10.474 -2.439 1.00 0.00 C ATOM 900 O LEU A 56 13.773 11.666 -2.181 1.00 0.00 O ATOM 901 CB LEU A 56 14.398 9.106 -0.394 1.00 0.00 C ATOM 902 CG LEU A 56 14.473 10.170 0.703 1.00 0.00 C ATOM 903 CD1 LEU A 56 15.127 11.437 0.177 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.084 10.471 1.249 1.00 0.00 C ATOM 0 H LEU A 56 13.806 7.440 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 56 12.462 9.753 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.145 8.151 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.387 8.994 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 56 15.086 9.782 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.171 12.181 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.137 11.210 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.543 11.830 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.156 11.230 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.448 10.837 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.652 9.562 1.667 1.00 0.00 H new ATOM 916 N ASN A 57 14.587 10.051 -3.520 1.00 0.00 N ATOM 917 CA ASN A 57 15.159 10.985 -4.485 1.00 0.00 C ATOM 918 C ASN A 57 14.103 11.973 -4.987 1.00 0.00 C ATOM 919 O ASN A 57 12.960 11.593 -5.240 1.00 0.00 O ATOM 920 CB ASN A 57 15.764 10.221 -5.664 1.00 0.00 C ATOM 921 CG ASN A 57 17.280 10.246 -5.654 1.00 0.00 C ATOM 922 OD1 ASN A 57 17.916 10.480 -6.681 1.00 0.00 O ATOM 923 ND2 ASN A 57 17.867 10.003 -4.487 1.00 0.00 N ATOM 0 H ASN A 57 14.731 9.068 -3.750 1.00 0.00 H new ATOM 0 HA ASN A 57 15.945 11.550 -3.984 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.420 9.187 -5.638 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.403 10.653 -6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.885 10.006 -4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 57 17.300 9.814 -3.661 1.00 0.00 H new ATOM 930 N PRO A 58 14.471 13.261 -5.139 1.00 0.00 N ATOM 931 CA PRO A 58 13.546 14.297 -5.615 1.00 0.00 C ATOM 932 C PRO A 58 13.143 14.103 -7.076 1.00 0.00 C ATOM 933 O PRO A 58 12.259 14.794 -7.580 1.00 0.00 O ATOM 934 CB PRO A 58 14.339 15.604 -5.456 1.00 0.00 C ATOM 935 CG PRO A 58 15.517 15.260 -4.606 1.00 0.00 C ATOM 936 CD PRO A 58 15.805 13.812 -4.863 1.00 0.00 C ATOM 0 HA PRO A 58 12.611 14.278 -5.055 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.655 15.991 -6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.730 16.377 -4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.376 15.880 -4.862 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.301 15.433 -3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.481 13.677 -5.707 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.271 13.333 -4.002 1.00 0.00 H new ATOM 944 N TYR A 59 13.799 13.165 -7.753 1.00 0.00 N ATOM 945 CA TYR A 59 13.512 12.889 -9.156 1.00 0.00 C ATOM 946 C TYR A 59 12.313 11.955 -9.305 1.00 0.00 C ATOM 947 O TYR A 59 11.680 11.909 -10.359 1.00 0.00 O ATOM 948 CB TYR A 59 14.740 12.279 -9.833 1.00 0.00 C ATOM 949 CG TYR A 59 16.022 13.024 -9.534 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.714 12.807 -8.349 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.538 13.947 -10.435 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.882 13.488 -8.069 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.708 14.632 -10.164 1.00 0.00 C ATOM 954 CZ TYR A 59 18.375 14.400 -8.980 1.00 0.00 C ATOM 955 OH TYR A 59 19.539 15.080 -8.705 1.00 0.00 O ATOM 0 H TYR A 59 14.534 12.583 -7.351 1.00 0.00 H new ATOM 0 HA TYR A 59 13.265 13.833 -9.641 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.847 11.243 -9.511 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.581 12.263 -10.911 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.332 12.093 -7.634 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.017 14.133 -11.362 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.407 13.308 -7.142 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.097 15.345 -10.876 1.00 0.00 H new ATOM 0 HH TYR A 59 19.749 15.683 -9.449 1.00 0.00 H new ATOM 965 N VAL A 60 12.004 11.214 -8.244 1.00 0.00 N ATOM 966 CA VAL A 60 10.880 10.286 -8.265 1.00 0.00 C ATOM 967 C VAL A 60 9.603 10.964 -7.778 1.00 0.00 C ATOM 968 O VAL A 60 9.004 10.549 -6.785 1.00 0.00 O ATOM 969 CB VAL A 60 11.160 9.045 -7.397 1.00 0.00 C ATOM 970 CG1 VAL A 60 12.334 8.256 -7.953 1.00 0.00 C ATOM 971 CG2 VAL A 60 11.414 9.449 -5.952 1.00 0.00 C ATOM 0 H VAL A 60 12.515 11.239 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 60 10.746 9.969 -9.299 1.00 0.00 H new ATOM 0 HB VAL A 60 10.279 8.403 -7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.516 7.383 -7.326 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.106 7.932 -8.968 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.223 8.886 -7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.610 8.559 -5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.277 10.114 -5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.538 9.964 -5.559 1.00 0.00 H new ATOM 981 N LYS A 61 9.194 12.014 -8.484 1.00 0.00 N ATOM 982 CA LYS A 61 7.989 12.759 -8.128 1.00 0.00 C ATOM 983 C LYS A 61 6.815 11.820 -7.864 1.00 0.00 C ATOM 984 O LYS A 61 6.764 10.710 -8.393 1.00 0.00 O ATOM 985 CB LYS A 61 7.626 13.742 -9.244 1.00 0.00 C ATOM 986 CG LYS A 61 8.504 14.983 -9.270 1.00 0.00 C ATOM 987 CD LYS A 61 7.718 16.212 -9.699 1.00 0.00 C ATOM 988 CE LYS A 61 8.379 17.492 -9.215 1.00 0.00 C ATOM 989 NZ LYS A 61 8.430 17.563 -7.728 1.00 0.00 N ATOM 0 H LYS A 61 9.680 12.369 -9.308 1.00 0.00 H new ATOM 0 HA LYS A 61 8.197 13.312 -7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.702 13.233 -10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.586 14.045 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.930 15.149 -8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.338 14.826 -9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.636 16.232 -10.786 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.704 16.153 -9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.391 17.552 -9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.831 18.352 -9.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.477 18.558 -7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.576 17.122 -7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.272 17.058 -7.385 1.00 0.00 H new ATOM 1003 N ARG A 62 5.876 12.273 -7.040 1.00 0.00 N ATOM 1004 CA ARG A 62 4.703 11.474 -6.700 1.00 0.00 C ATOM 1005 C ARG A 62 3.936 11.066 -7.954 1.00 0.00 C ATOM 1006 O ARG A 62 3.517 9.916 -8.090 1.00 0.00 O ATOM 1007 CB ARG A 62 3.784 12.255 -5.758 1.00 0.00 C ATOM 1008 CG ARG A 62 3.447 13.652 -6.255 1.00 0.00 C ATOM 1009 CD ARG A 62 2.060 13.705 -6.875 1.00 0.00 C ATOM 1010 NE ARG A 62 1.473 15.040 -6.792 1.00 0.00 N ATOM 1011 CZ ARG A 62 1.145 15.636 -5.649 1.00 0.00 C ATOM 1012 NH1 ARG A 62 1.343 15.018 -4.490 1.00 0.00 N ATOM 1013 NH2 ARG A 62 0.617 16.851 -5.661 1.00 0.00 N ATOM 0 H ARG A 62 5.904 13.190 -6.595 1.00 0.00 H new ATOM 0 HA ARG A 62 5.046 10.570 -6.197 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.859 11.695 -5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.260 12.331 -4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.503 14.357 -5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.187 13.966 -6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.118 13.399 -7.920 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.410 12.991 -6.370 1.00 0.00 H new ATOM 0 HE ARG A 62 1.305 15.545 -7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.748 14.082 -4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.090 15.479 -3.616 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.461 17.331 -6.548 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.366 17.307 -4.784 1.00 0.00 H new ATOM 1027 N SER A 63 3.755 12.014 -8.868 1.00 0.00 N ATOM 1028 CA SER A 63 3.038 11.750 -10.111 1.00 0.00 C ATOM 1029 C SER A 63 3.717 10.640 -10.905 1.00 0.00 C ATOM 1030 O SER A 63 3.088 9.642 -11.258 1.00 0.00 O ATOM 1031 CB SER A 63 2.956 13.022 -10.956 1.00 0.00 C ATOM 1032 OG SER A 63 1.774 13.750 -10.670 1.00 0.00 O ATOM 0 H SER A 63 4.094 12.971 -8.772 1.00 0.00 H new ATOM 0 HA SER A 63 2.029 11.425 -9.858 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.828 13.647 -10.763 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.979 12.761 -12.014 1.00 0.00 H new ATOM 0 HG SER A 63 1.747 14.559 -11.222 1.00 0.00 H new ATOM 1038 N VAL A 64 5.004 10.818 -11.182 1.00 0.00 N ATOM 1039 CA VAL A 64 5.767 9.829 -11.933 1.00 0.00 C ATOM 1040 C VAL A 64 5.777 8.487 -11.212 1.00 0.00 C ATOM 1041 O VAL A 64 5.776 7.430 -11.843 1.00 0.00 O ATOM 1042 CB VAL A 64 7.220 10.291 -12.159 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.961 9.314 -13.061 1.00 0.00 C ATOM 1044 CG2 VAL A 64 7.250 11.695 -12.744 1.00 0.00 C ATOM 0 H VAL A 64 5.540 11.638 -10.898 1.00 0.00 H new ATOM 0 HA VAL A 64 5.278 9.717 -12.901 1.00 0.00 H new ATOM 0 HB VAL A 64 7.727 10.313 -11.194 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.985 9.659 -13.208 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.973 8.328 -12.597 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.456 9.255 -14.025 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.284 12.004 -12.896 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.725 11.703 -13.699 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.763 12.386 -12.056 1.00 0.00 H new ATOM 1054 N LYS A 65 5.779 8.535 -9.884 1.00 0.00 N ATOM 1055 CA LYS A 65 5.783 7.322 -9.076 1.00 0.00 C ATOM 1056 C LYS A 65 4.481 6.548 -9.258 1.00 0.00 C ATOM 1057 O LYS A 65 4.455 5.323 -9.149 1.00 0.00 O ATOM 1058 CB LYS A 65 5.987 7.668 -7.598 1.00 0.00 C ATOM 1059 CG LYS A 65 7.081 6.851 -6.929 1.00 0.00 C ATOM 1060 CD LYS A 65 6.650 5.408 -6.722 1.00 0.00 C ATOM 1061 CE LYS A 65 7.773 4.438 -7.053 1.00 0.00 C ATOM 1062 NZ LYS A 65 7.627 3.864 -8.420 1.00 0.00 N ATOM 0 H LYS A 65 5.778 9.401 -9.345 1.00 0.00 H new ATOM 0 HA LYS A 65 6.609 6.693 -9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.231 8.727 -7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.050 7.512 -7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.983 6.878 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.334 7.298 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.338 5.265 -5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.785 5.192 -7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.731 4.952 -6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.784 3.631 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.476 2.837 -8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.813 4.303 -8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.490 4.051 -8.969 1.00 0.00 H new ATOM 1076 N VAL A 66 3.402 7.273 -9.537 1.00 0.00 N ATOM 1077 CA VAL A 66 2.097 6.654 -9.736 1.00 0.00 C ATOM 1078 C VAL A 66 2.087 5.786 -10.988 1.00 0.00 C ATOM 1079 O VAL A 66 1.643 4.638 -10.956 1.00 0.00 O ATOM 1080 CB VAL A 66 0.983 7.712 -9.851 1.00 0.00 C ATOM 1081 CG1 VAL A 66 -0.385 7.049 -9.846 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.096 8.731 -8.725 1.00 0.00 C ATOM 0 H VAL A 66 3.406 8.289 -9.630 1.00 0.00 H new ATOM 0 HA VAL A 66 1.907 6.031 -8.862 1.00 0.00 H new ATOM 0 HB VAL A 66 1.102 8.238 -10.798 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.159 7.812 -9.928 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.460 6.363 -10.690 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.518 6.496 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.301 9.470 -8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.004 8.224 -7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.064 9.229 -8.781 1.00 0.00 H new ATOM 1092 N LYS A 67 2.583 6.338 -12.091 1.00 0.00 N ATOM 1093 CA LYS A 67 2.631 5.608 -13.352 1.00 0.00 C ATOM 1094 C LYS A 67 3.653 4.479 -13.282 1.00 0.00 C ATOM 1095 O LYS A 67 3.482 3.432 -13.907 1.00 0.00 O ATOM 1096 CB LYS A 67 2.973 6.556 -14.504 1.00 0.00 C ATOM 1097 CG LYS A 67 1.758 7.026 -15.286 1.00 0.00 C ATOM 1098 CD LYS A 67 1.342 6.007 -16.334 1.00 0.00 C ATOM 1099 CE LYS A 67 0.162 5.172 -15.863 1.00 0.00 C ATOM 1100 NZ LYS A 67 -0.344 4.270 -16.935 1.00 0.00 N ATOM 0 H LYS A 67 2.956 7.286 -12.137 1.00 0.00 H new ATOM 0 HA LYS A 67 1.647 5.174 -13.533 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.496 7.425 -14.105 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.661 6.054 -15.185 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.929 7.204 -14.601 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.981 7.977 -15.770 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.079 6.521 -17.258 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.184 5.353 -16.561 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.460 4.578 -14.999 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.641 5.832 -15.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.148 3.718 -16.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.652 4.838 -17.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.415 3.623 -17.231 1.00 0.00 H new ATOM 1114 N SER A 68 4.714 4.698 -12.515 1.00 0.00 N ATOM 1115 CA SER A 68 5.763 3.700 -12.358 1.00 0.00 C ATOM 1116 C SER A 68 5.293 2.556 -11.464 1.00 0.00 C ATOM 1117 O SER A 68 5.754 1.422 -11.598 1.00 0.00 O ATOM 1118 CB SER A 68 7.022 4.339 -11.769 1.00 0.00 C ATOM 1119 OG SER A 68 7.933 3.351 -11.318 1.00 0.00 O ATOM 0 H SER A 68 4.870 5.559 -11.992 1.00 0.00 H new ATOM 0 HA SER A 68 5.997 3.297 -13.343 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.502 4.964 -12.522 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.748 4.991 -10.940 1.00 0.00 H new ATOM 0 HG SER A 68 8.730 3.785 -10.948 1.00 0.00 H new ATOM 1125 N LEU A 69 4.375 2.861 -10.553 1.00 0.00 N ATOM 1126 CA LEU A 69 3.844 1.857 -9.639 1.00 0.00 C ATOM 1127 C LEU A 69 2.938 0.874 -10.374 1.00 0.00 C ATOM 1128 O LEU A 69 2.898 -0.311 -10.045 1.00 0.00 O ATOM 1129 CB LEU A 69 3.072 2.528 -8.501 1.00 0.00 C ATOM 1130 CG LEU A 69 3.943 3.167 -7.418 1.00 0.00 C ATOM 1131 CD1 LEU A 69 3.235 4.364 -6.802 1.00 0.00 C ATOM 1132 CD2 LEU A 69 4.294 2.145 -6.347 1.00 0.00 C ATOM 0 H LEU A 69 3.984 3.795 -10.428 1.00 0.00 H new ATOM 0 HA LEU A 69 4.685 1.304 -9.221 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.424 3.295 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.424 1.786 -8.034 1.00 0.00 H new ATOM 0 HG LEU A 69 4.868 3.515 -7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.869 4.806 -6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.032 5.105 -7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.295 4.040 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.914 2.616 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.379 1.768 -5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.841 1.317 -6.799 1.00 0.00 H new ATOM 1144 N SER A 70 2.211 1.372 -11.369 1.00 0.00 N ATOM 1145 CA SER A 70 1.308 0.534 -12.147 1.00 0.00 C ATOM 1146 C SER A 70 2.089 -0.488 -12.962 1.00 0.00 C ATOM 1147 O SER A 70 1.683 -1.643 -13.080 1.00 0.00 O ATOM 1148 CB SER A 70 0.441 1.392 -13.069 1.00 0.00 C ATOM 1149 OG SER A 70 -0.660 1.945 -12.367 1.00 0.00 O ATOM 0 H SER A 70 2.230 2.351 -11.655 1.00 0.00 H new ATOM 0 HA SER A 70 0.659 0.000 -11.453 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.043 2.194 -13.497 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.079 0.787 -13.900 1.00 0.00 H new ATOM 0 HG SER A 70 -1.197 2.490 -12.979 1.00 0.00 H new ATOM 1155 N ASP A 71 3.218 -0.062 -13.513 1.00 0.00 N ATOM 1156 CA ASP A 71 4.058 -0.955 -14.298 1.00 0.00 C ATOM 1157 C ASP A 71 4.970 -1.748 -13.376 1.00 0.00 C ATOM 1158 O ASP A 71 5.335 -2.886 -13.671 1.00 0.00 O ATOM 1159 CB ASP A 71 4.886 -0.164 -15.313 1.00 0.00 C ATOM 1160 CG ASP A 71 5.169 -0.959 -16.573 1.00 0.00 C ATOM 1161 OD1 ASP A 71 5.088 -2.204 -16.520 1.00 0.00 O ATOM 1162 OD2 ASP A 71 5.472 -0.337 -17.613 1.00 0.00 O ATOM 0 H ASP A 71 3.571 0.891 -13.431 1.00 0.00 H new ATOM 0 HA ASP A 71 3.417 -1.646 -14.846 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.356 0.751 -15.576 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.829 0.134 -14.855 1.00 0.00 H new ATOM 1167 N MET A 72 5.318 -1.144 -12.246 1.00 0.00 N ATOM 1168 CA MET A 72 6.167 -1.797 -11.265 1.00 0.00 C ATOM 1169 C MET A 72 5.364 -2.820 -10.479 1.00 0.00 C ATOM 1170 O MET A 72 5.910 -3.815 -10.003 1.00 0.00 O ATOM 1171 CB MET A 72 6.786 -0.770 -10.316 1.00 0.00 C ATOM 1172 CG MET A 72 7.727 -1.379 -9.291 1.00 0.00 C ATOM 1173 SD MET A 72 8.072 -0.263 -7.917 1.00 0.00 S ATOM 1174 CE MET A 72 6.527 -0.351 -7.014 1.00 0.00 C ATOM 0 H MET A 72 5.023 -0.202 -11.989 1.00 0.00 H new ATOM 0 HA MET A 72 6.974 -2.307 -11.792 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.330 -0.029 -10.901 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.988 -0.241 -9.795 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.291 -2.300 -8.905 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.664 -1.649 -9.779 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.536 0.380 -6.205 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.698 -0.135 -7.689 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.405 -1.351 -6.598 1.00 0.00 H new ATOM 1184 N THR A 73 4.056 -2.589 -10.358 1.00 0.00 N ATOM 1185 CA THR A 73 3.207 -3.523 -9.642 1.00 0.00 C ATOM 1186 C THR A 73 3.207 -4.867 -10.350 1.00 0.00 C ATOM 1187 O THR A 73 3.091 -5.915 -9.715 1.00 0.00 O ATOM 1188 CB THR A 73 1.778 -3.003 -9.509 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.043 -3.845 -8.652 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.020 -2.937 -10.812 1.00 0.00 C ATOM 0 H THR A 73 3.574 -1.776 -10.742 1.00 0.00 H new ATOM 0 HA THR A 73 3.612 -3.638 -8.636 1.00 0.00 H new ATOM 0 HB THR A 73 1.878 -1.989 -9.121 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.559 -4.011 -7.835 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.015 -2.558 -10.629 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.539 -2.272 -11.502 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.958 -3.934 -11.248 1.00 0.00 H new ATOM 1198 N ALA A 74 3.363 -4.834 -11.673 1.00 0.00 N ATOM 1199 CA ALA A 74 3.406 -6.059 -12.454 1.00 0.00 C ATOM 1200 C ALA A 74 4.426 -7.021 -11.859 1.00 0.00 C ATOM 1201 O ALA A 74 4.306 -8.238 -11.998 1.00 0.00 O ATOM 1202 CB ALA A 74 3.741 -5.754 -13.906 1.00 0.00 C ATOM 0 H ALA A 74 3.461 -3.978 -12.218 1.00 0.00 H new ATOM 0 HA ALA A 74 2.423 -6.529 -12.424 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.769 -6.683 -14.476 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.980 -5.095 -14.324 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.714 -5.266 -13.960 1.00 0.00 H new ATOM 1208 N LYS A 75 5.431 -6.460 -11.186 1.00 0.00 N ATOM 1209 CA LYS A 75 6.471 -7.265 -10.561 1.00 0.00 C ATOM 1210 C LYS A 75 6.241 -7.401 -9.057 1.00 0.00 C ATOM 1211 O LYS A 75 6.765 -8.319 -8.426 1.00 0.00 O ATOM 1212 CB LYS A 75 7.848 -6.656 -10.826 1.00 0.00 C ATOM 1213 CG LYS A 75 8.450 -7.071 -12.158 1.00 0.00 C ATOM 1214 CD LYS A 75 9.933 -6.742 -12.226 1.00 0.00 C ATOM 1215 CE LYS A 75 10.164 -5.304 -12.660 1.00 0.00 C ATOM 1216 NZ LYS A 75 10.431 -5.199 -14.121 1.00 0.00 N ATOM 0 H LYS A 75 5.544 -5.454 -11.062 1.00 0.00 H new ATOM 0 HA LYS A 75 6.430 -8.261 -11.002 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.767 -5.569 -10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.526 -6.948 -10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.307 -8.141 -12.306 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.926 -6.564 -12.969 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.389 -6.906 -11.249 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.425 -7.418 -12.925 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.290 -4.704 -12.407 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.006 -4.889 -12.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.583 -4.202 -14.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.280 -5.750 -14.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.617 -5.571 -14.650 1.00 0.00 H new ATOM 1230 N GLU A 76 5.455 -6.492 -8.479 1.00 0.00 N ATOM 1231 CA GLU A 76 5.173 -6.541 -7.052 1.00 0.00 C ATOM 1232 C GLU A 76 4.173 -7.647 -6.741 1.00 0.00 C ATOM 1233 O GLU A 76 4.492 -8.599 -6.029 1.00 0.00 O ATOM 1234 CB GLU A 76 4.633 -5.193 -6.569 1.00 0.00 C ATOM 1235 CG GLU A 76 5.625 -4.051 -6.717 1.00 0.00 C ATOM 1236 CD GLU A 76 6.973 -4.363 -6.099 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.001 -4.829 -4.941 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.001 -4.143 -6.774 1.00 0.00 O ATOM 0 H GLU A 76 5.008 -5.721 -8.975 1.00 0.00 H new ATOM 0 HA GLU A 76 6.103 -6.756 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.729 -4.952 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.346 -5.280 -5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.758 -3.826 -7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.214 -3.156 -6.250 1.00 0.00 H new ATOM 1245 N LYS A 77 2.964 -7.507 -7.290 1.00 0.00 N ATOM 1246 CA LYS A 77 1.883 -8.482 -7.095 1.00 0.00 C ATOM 1247 C LYS A 77 0.522 -7.811 -7.247 1.00 0.00 C ATOM 1248 O LYS A 77 -0.449 -8.440 -7.665 1.00 0.00 O ATOM 1249 CB LYS A 77 1.967 -9.147 -5.714 1.00 0.00 C ATOM 1250 CG LYS A 77 2.610 -10.525 -5.738 1.00 0.00 C ATOM 1251 CD LYS A 77 1.579 -11.616 -5.972 1.00 0.00 C ATOM 1252 CE LYS A 77 1.950 -12.899 -5.244 1.00 0.00 C ATOM 1253 NZ LYS A 77 1.582 -14.109 -6.029 1.00 0.00 N ATOM 0 H LYS A 77 2.705 -6.717 -7.881 1.00 0.00 H new ATOM 0 HA LYS A 77 2.000 -9.250 -7.859 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.535 -8.502 -5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.963 -9.231 -5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.365 -10.562 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.124 -10.705 -4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.602 -11.273 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.494 -11.814 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.022 -12.907 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.447 -12.926 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.851 -14.962 -5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.556 -14.115 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.082 -14.096 -6.941 1.00 0.00 H new ATOM 1267 N PHE A 78 0.458 -6.532 -6.883 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.775 -5.765 -6.954 1.00 0.00 C ATOM 1269 C PHE A 78 -1.412 -5.820 -8.324 1.00 0.00 C ATOM 1270 O PHE A 78 -1.032 -6.622 -9.177 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.530 -4.303 -6.596 1.00 0.00 C ATOM 1272 CG PHE A 78 0.683 -4.063 -5.757 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.907 -4.806 -4.612 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.603 -3.100 -6.124 1.00 0.00 C ATOM 1275 CE1 PHE A 78 2.036 -4.590 -3.847 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.732 -2.879 -5.367 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.951 -3.624 -4.225 1.00 0.00 C ATOM 0 H PHE A 78 1.257 -6.004 -6.533 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.454 -6.221 -6.234 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.438 -3.727 -7.517 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.403 -3.921 -6.067 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.194 -5.560 -4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.435 -2.514 -7.015 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.204 -5.175 -2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.445 -2.125 -5.666 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.835 -3.453 -3.628 1.00 0.00 H new ATOM 1287 N SER A 79 -2.384 -4.928 -8.507 1.00 0.00 N ATOM 1288 CA SER A 79 -3.129 -4.794 -9.752 1.00 0.00 C ATOM 1289 C SER A 79 -4.626 -4.681 -9.477 1.00 0.00 C ATOM 1290 O SER A 79 -5.322 -3.912 -10.137 1.00 0.00 O ATOM 1291 CB SER A 79 -2.874 -5.962 -10.711 1.00 0.00 C ATOM 1292 OG SER A 79 -3.784 -5.937 -11.798 1.00 0.00 O ATOM 0 H SER A 79 -2.678 -4.271 -7.784 1.00 0.00 H new ATOM 0 HA SER A 79 -2.774 -3.881 -10.231 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.852 -5.912 -11.087 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.970 -6.906 -10.174 1.00 0.00 H new ATOM 0 HG SER A 79 -3.600 -6.691 -12.396 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.161 -5.487 -8.540 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.577 -5.500 -8.237 1.00 0.00 C ATOM 1300 C PRO A 80 -6.983 -4.743 -6.976 1.00 0.00 C ATOM 1301 O PRO A 80 -7.755 -3.788 -7.056 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.837 -6.994 -8.074 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.539 -7.565 -7.563 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.469 -6.508 -7.752 1.00 0.00 C ATOM 0 HA PRO A 80 -7.155 -4.993 -9.010 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.652 -7.178 -7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.122 -7.450 -9.022 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.628 -7.837 -6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.280 -8.474 -8.106 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.116 -6.114 -6.799 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.598 -6.902 -8.276 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.492 -5.161 -5.812 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.866 -4.484 -4.580 1.00 0.00 C ATOM 1314 C LEU A 81 -5.781 -3.521 -4.152 1.00 0.00 C ATOM 1315 O LEU A 81 -5.822 -2.960 -3.057 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.153 -5.492 -3.476 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.565 -6.082 -3.502 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.606 -4.983 -3.333 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.799 -6.843 -4.798 1.00 0.00 C ATOM 0 H LEU A 81 -5.850 -5.946 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.777 -3.915 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.432 -6.306 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.993 -5.010 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.663 -6.779 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.604 -5.421 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.451 -4.479 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.509 -4.262 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.808 -7.256 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.682 -6.166 -5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.075 -7.654 -4.880 1.00 0.00 H new ATOM 1331 N THR A 82 -4.818 -3.329 -5.033 1.00 0.00 N ATOM 1332 CA THR A 82 -3.721 -2.431 -4.776 1.00 0.00 C ATOM 1333 C THR A 82 -3.520 -1.477 -5.946 1.00 0.00 C ATOM 1334 O THR A 82 -2.641 -0.620 -5.905 1.00 0.00 O ATOM 1335 CB THR A 82 -2.458 -3.216 -4.498 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.737 -4.603 -4.444 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.789 -2.825 -3.197 1.00 0.00 C ATOM 0 H THR A 82 -4.779 -3.791 -5.941 1.00 0.00 H new ATOM 0 HA THR A 82 -3.958 -1.835 -3.895 1.00 0.00 H new ATOM 0 HB THR A 82 -1.779 -2.983 -5.319 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.991 -4.921 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.889 -3.424 -3.056 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.520 -1.769 -3.229 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.475 -3.000 -2.368 1.00 0.00 H new ATOM 1345 N SER A 83 -4.351 -1.606 -6.987 1.00 0.00 N ATOM 1346 CA SER A 83 -4.246 -0.717 -8.136 1.00 0.00 C ATOM 1347 C SER A 83 -4.996 0.583 -7.863 1.00 0.00 C ATOM 1348 O SER A 83 -5.453 1.267 -8.779 1.00 0.00 O ATOM 1349 CB SER A 83 -4.798 -1.378 -9.395 1.00 0.00 C ATOM 1350 OG SER A 83 -3.765 -1.983 -10.151 1.00 0.00 O ATOM 0 H SER A 83 -5.090 -2.306 -7.053 1.00 0.00 H new ATOM 0 HA SER A 83 -3.191 -0.499 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.538 -2.129 -9.120 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.310 -0.634 -10.005 1.00 0.00 H new ATOM 0 HG SER A 83 -4.152 -2.642 -10.765 1.00 0.00 H new ATOM 1356 N ASN A 84 -5.092 0.908 -6.588 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.749 2.110 -6.112 1.00 0.00 C ATOM 1358 C ASN A 84 -4.947 2.595 -4.927 1.00 0.00 C ATOM 1359 O ASN A 84 -4.592 3.768 -4.823 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.197 1.825 -5.706 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.041 1.351 -6.873 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.665 2.154 -7.568 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.065 0.042 -7.094 1.00 0.00 N ATOM 0 H ASN A 84 -4.708 0.332 -5.839 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.790 2.865 -6.897 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.209 1.069 -4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.638 2.728 -5.285 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.616 -0.335 -7.865 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.532 -0.587 -6.493 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.604 1.638 -4.069 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.770 1.908 -2.925 1.00 0.00 C ATOM 1372 C LEU A 85 -2.387 2.300 -3.429 1.00 0.00 C ATOM 1373 O LEU A 85 -1.620 2.955 -2.724 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.674 0.669 -2.027 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.355 0.956 -0.557 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.118 0.005 0.353 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -1.858 0.849 -0.308 1.00 0.00 C ATOM 0 H LEU A 85 -4.898 0.665 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.200 2.717 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.619 0.128 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.905 0.008 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.671 1.974 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.878 0.225 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.189 0.130 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.835 -1.023 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.648 1.056 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.519 -0.157 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.333 1.572 -0.932 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.077 1.898 -4.673 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.792 2.219 -5.269 1.00 0.00 C ATOM 1391 C ILE A 86 -0.722 3.704 -5.613 1.00 0.00 C ATOM 1392 O ILE A 86 0.143 4.427 -5.118 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.513 1.357 -6.533 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.480 0.244 -6.201 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.015 2.199 -7.692 1.00 0.00 C ATOM 1396 CD1 ILE A 86 -0.056 -0.773 -5.219 1.00 0.00 C ATOM 0 H ILE A 86 -2.700 1.356 -5.272 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.021 1.988 -4.535 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.460 0.919 -6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.762 -0.266 -7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.387 0.688 -5.792 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.197 1.558 -8.554 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.721 2.960 -7.954 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.947 2.682 -7.396 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.703 -1.532 -5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.312 -0.276 -4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.947 -1.245 -5.634 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.642 4.151 -6.460 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.692 5.549 -6.868 1.00 0.00 C ATOM 1410 C ASN A 87 -2.015 6.444 -5.677 1.00 0.00 C ATOM 1411 O ASN A 87 -1.651 7.619 -5.656 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.736 5.746 -7.969 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.668 4.670 -9.036 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.914 4.783 -10.001 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.459 3.616 -8.864 1.00 0.00 N ATOM 0 H ASN A 87 -2.364 3.564 -6.878 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.712 5.826 -7.257 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.731 5.749 -7.525 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.590 6.722 -8.432 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.456 2.859 -9.548 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.069 3.564 -8.048 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.701 5.879 -4.689 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.076 6.623 -3.494 1.00 0.00 C ATOM 1424 C LEU A 88 -1.876 6.821 -2.576 1.00 0.00 C ATOM 1425 O LEU A 88 -1.716 7.884 -1.975 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.194 5.898 -2.743 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.914 6.736 -1.686 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -5.920 7.671 -2.341 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.604 5.837 -0.671 1.00 0.00 C ATOM 0 H LEU A 88 -3.009 4.907 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.436 7.603 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.928 5.546 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.774 5.016 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.173 7.340 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.423 8.260 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.402 8.339 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.657 7.085 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.111 6.451 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.334 5.207 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.862 5.208 -0.178 1.00 0.00 H new ATOM 1441 N LEU A 89 -1.030 5.801 -2.471 1.00 0.00 N ATOM 1442 CA LEU A 89 0.152 5.891 -1.624 1.00 0.00 C ATOM 1443 C LEU A 89 1.166 6.851 -2.229 1.00 0.00 C ATOM 1444 O LEU A 89 1.883 7.551 -1.514 1.00 0.00 O ATOM 1445 CB LEU A 89 0.776 4.510 -1.427 1.00 0.00 C ATOM 1446 CG LEU A 89 0.622 3.944 -0.018 1.00 0.00 C ATOM 1447 CD1 LEU A 89 -0.847 3.743 0.319 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.388 2.636 0.122 1.00 0.00 C ATOM 0 H LEU A 89 -1.140 4.911 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.150 6.275 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.324 3.816 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.837 4.566 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 89 1.041 4.662 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.937 3.339 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.367 4.699 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.291 3.047 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.265 2.249 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.002 1.910 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.446 2.811 -0.074 1.00 0.00 H new ATOM 1460 N ALA A 90 1.209 6.883 -3.553 1.00 0.00 N ATOM 1461 CA ALA A 90 2.122 7.763 -4.268 1.00 0.00 C ATOM 1462 C ALA A 90 1.386 8.982 -4.821 1.00 0.00 C ATOM 1463 O ALA A 90 1.865 9.639 -5.746 1.00 0.00 O ATOM 1464 CB ALA A 90 2.811 7.006 -5.393 1.00 0.00 C ATOM 0 H ALA A 90 0.620 6.308 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 90 2.878 8.113 -3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.491 7.676 -5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.374 6.170 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.062 6.628 -6.089 1.00 0.00 H new ATOM 1470 N GLU A 91 0.222 9.283 -4.247 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.572 10.424 -4.685 1.00 0.00 C ATOM 1472 C GLU A 91 -0.184 11.679 -3.913 1.00 0.00 C ATOM 1473 O GLU A 91 0.192 12.692 -4.502 1.00 0.00 O ATOM 1474 CB GLU A 91 -2.065 10.137 -4.501 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.873 10.280 -5.780 1.00 0.00 C ATOM 1476 CD GLU A 91 -4.150 9.463 -5.756 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.075 8.237 -5.988 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -5.225 10.048 -5.509 1.00 0.00 O ATOM 0 H GLU A 91 -0.189 8.752 -3.479 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.372 10.591 -5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.187 9.125 -4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.467 10.816 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.121 11.330 -5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.263 9.969 -6.628 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.279 11.603 -2.590 1.00 0.00 N ATOM 1486 CA ASN A 92 0.062 12.733 -1.737 1.00 0.00 C ATOM 1487 C ASN A 92 1.424 12.536 -1.073 1.00 0.00 C ATOM 1488 O ASN A 92 1.762 13.233 -0.116 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.014 12.935 -0.669 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.117 13.869 -1.128 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -1.940 15.087 -1.164 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.264 13.301 -1.483 1.00 0.00 N ATOM 0 H ASN A 92 -0.589 10.772 -2.087 1.00 0.00 H new ATOM 0 HA ASN A 92 0.115 13.622 -2.366 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.446 11.970 -0.405 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.554 13.336 0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.042 13.879 -1.801 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.367 12.287 -1.437 1.00 0.00 H new ATOM 1499 N GLY A 93 2.202 11.585 -1.582 1.00 0.00 N ATOM 1500 CA GLY A 93 3.513 11.322 -1.022 1.00 0.00 C ATOM 1501 C GLY A 93 3.445 10.507 0.254 1.00 0.00 C ATOM 1502 O GLY A 93 4.252 10.696 1.162 1.00 0.00 O ATOM 0 H GLY A 93 1.947 10.993 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.119 10.791 -1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.015 12.268 -0.819 1.00 0.00 H new ATOM 1506 N ARG A 94 2.477 9.599 0.321 1.00 0.00 N ATOM 1507 CA ARG A 94 2.308 8.753 1.497 1.00 0.00 C ATOM 1508 C ARG A 94 3.454 7.752 1.627 1.00 0.00 C ATOM 1509 O ARG A 94 3.644 7.151 2.684 1.00 0.00 O ATOM 1510 CB ARG A 94 0.971 8.011 1.432 1.00 0.00 C ATOM 1511 CG ARG A 94 -0.229 8.896 1.724 1.00 0.00 C ATOM 1512 CD ARG A 94 -0.503 8.990 3.216 1.00 0.00 C ATOM 1513 NE ARG A 94 -1.273 10.184 3.558 1.00 0.00 N ATOM 1514 CZ ARG A 94 -0.806 11.425 3.439 1.00 0.00 C ATOM 1515 NH1 ARG A 94 0.424 11.639 2.988 1.00 0.00 N ATOM 1516 NH2 ARG A 94 -1.573 12.455 3.772 1.00 0.00 N ATOM 0 H ARG A 94 1.800 9.430 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 94 2.316 9.398 2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.856 7.572 0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.987 7.187 2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.053 9.894 1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.108 8.498 1.216 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.047 8.103 3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.443 9.001 3.758 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.223 10.059 3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.017 10.850 2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.776 12.592 2.899 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.519 12.295 4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.217 13.406 3.681 1.00 0.00 H new ATOM 1530 N LEU A 95 4.217 7.576 0.549 1.00 0.00 N ATOM 1531 CA LEU A 95 5.342 6.647 0.556 1.00 0.00 C ATOM 1532 C LEU A 95 6.426 7.121 1.516 1.00 0.00 C ATOM 1533 O LEU A 95 7.438 7.691 1.106 1.00 0.00 O ATOM 1534 CB LEU A 95 5.915 6.492 -0.854 1.00 0.00 C ATOM 1535 CG LEU A 95 4.914 6.022 -1.911 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.479 6.223 -3.309 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.547 4.562 -1.686 1.00 0.00 C ATOM 0 H LEU A 95 4.076 8.063 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 95 4.981 5.676 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.330 7.450 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.742 5.783 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 95 4.009 6.622 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.753 5.883 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.690 7.281 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.400 5.650 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.834 4.245 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.445 3.947 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.099 4.447 -0.699 1.00 0.00 H new ATOM 1549 N THR A 96 6.200 6.868 2.795 1.00 0.00 N ATOM 1550 CA THR A 96 7.132 7.245 3.849 1.00 0.00 C ATOM 1551 C THR A 96 6.813 6.448 5.103 1.00 0.00 C ATOM 1552 O THR A 96 7.693 5.852 5.724 1.00 0.00 O ATOM 1553 CB THR A 96 7.041 8.745 4.141 1.00 0.00 C ATOM 1554 OG1 THR A 96 5.694 9.134 4.347 1.00 0.00 O ATOM 1555 CG2 THR A 96 7.603 9.605 3.031 1.00 0.00 C ATOM 0 H THR A 96 5.363 6.394 3.134 1.00 0.00 H new ATOM 0 HA THR A 96 8.148 7.025 3.522 1.00 0.00 H new ATOM 0 HB THR A 96 7.639 8.902 5.038 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.656 10.095 4.534 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.507 10.657 3.302 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.655 9.363 2.881 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.052 9.416 2.110 1.00 0.00 H new ATOM 1563 N ASN A 97 5.530 6.420 5.441 1.00 0.00 N ATOM 1564 CA ASN A 97 5.052 5.672 6.593 1.00 0.00 C ATOM 1565 C ASN A 97 4.294 4.431 6.126 1.00 0.00 C ATOM 1566 O ASN A 97 3.563 3.811 6.898 1.00 0.00 O ATOM 1567 CB ASN A 97 4.144 6.548 7.459 1.00 0.00 C ATOM 1568 CG ASN A 97 4.928 7.540 8.297 1.00 0.00 C ATOM 1569 OD1 ASN A 97 5.406 7.210 9.383 1.00 0.00 O ATOM 1570 ND2 ASN A 97 5.060 8.763 7.798 1.00 0.00 N ATOM 0 H ASN A 97 4.798 6.911 4.928 1.00 0.00 H new ATOM 0 HA ASN A 97 5.909 5.363 7.192 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.446 7.088 6.819 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.548 5.913 8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.574 9.473 8.319 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.647 8.992 6.894 1.00 0.00 H new ATOM 1577 N THR A 98 4.475 4.082 4.847 1.00 0.00 N ATOM 1578 CA THR A 98 3.818 2.922 4.247 1.00 0.00 C ATOM 1579 C THR A 98 3.761 1.734 5.211 1.00 0.00 C ATOM 1580 O THR A 98 2.679 1.249 5.540 1.00 0.00 O ATOM 1581 CB THR A 98 4.544 2.520 2.963 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.879 2.996 2.971 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.880 3.047 1.710 1.00 0.00 C ATOM 0 H THR A 98 5.078 4.595 4.204 1.00 0.00 H new ATOM 0 HA THR A 98 2.791 3.206 4.015 1.00 0.00 H new ATOM 0 HB THR A 98 4.512 1.431 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.484 2.279 2.686 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.446 2.725 0.836 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.863 2.660 1.647 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.852 4.136 1.744 1.00 0.00 H new ATOM 1591 N PRO A 99 4.924 1.246 5.681 1.00 0.00 N ATOM 1592 CA PRO A 99 4.985 0.114 6.608 1.00 0.00 C ATOM 1593 C PRO A 99 4.044 0.289 7.794 1.00 0.00 C ATOM 1594 O PRO A 99 3.597 -0.687 8.395 1.00 0.00 O ATOM 1595 CB PRO A 99 6.450 0.093 7.078 1.00 0.00 C ATOM 1596 CG PRO A 99 7.060 1.358 6.568 1.00 0.00 C ATOM 1597 CD PRO A 99 6.265 1.748 5.356 1.00 0.00 C ATOM 0 HA PRO A 99 4.674 -0.815 6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.511 0.040 8.165 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.974 -0.779 6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.024 2.141 7.326 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.109 1.209 6.314 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.268 2.827 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.660 1.293 4.448 1.00 0.00 H new ATOM 1605 N ALA A 100 3.739 1.541 8.120 1.00 0.00 N ATOM 1606 CA ALA A 100 2.844 1.844 9.228 1.00 0.00 C ATOM 1607 C ALA A 100 1.390 1.602 8.835 1.00 0.00 C ATOM 1608 O ALA A 100 0.559 1.256 9.675 1.00 0.00 O ATOM 1609 CB ALA A 100 3.040 3.282 9.687 1.00 0.00 C ATOM 0 H ALA A 100 4.099 2.361 7.632 1.00 0.00 H new ATOM 0 HA ALA A 100 3.086 1.177 10.055 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.365 3.495 10.516 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.070 3.422 10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.826 3.960 8.861 1.00 0.00 H new ATOM 1615 N VAL A 101 1.089 1.783 7.551 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.263 1.582 7.048 1.00 0.00 C ATOM 1617 C VAL A 101 -0.605 0.097 6.977 1.00 0.00 C ATOM 1618 O VAL A 101 -1.763 -0.291 7.140 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.444 2.207 5.651 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.898 2.131 5.213 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.048 3.648 5.641 1.00 0.00 C ATOM 0 H VAL A 101 1.765 2.068 6.842 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.938 2.076 7.747 1.00 0.00 H new ATOM 0 HB VAL A 101 0.155 1.637 4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.004 2.578 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.213 1.088 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.521 2.673 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.088 4.072 4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.520 4.232 6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.105 3.673 5.905 1.00 0.00 H new ATOM 1631 N ILE A 102 0.408 -0.728 6.732 1.00 0.00 N ATOM 1632 CA ILE A 102 0.211 -2.170 6.640 1.00 0.00 C ATOM 1633 C ILE A 102 -0.115 -2.767 8.005 1.00 0.00 C ATOM 1634 O ILE A 102 -0.854 -3.746 8.104 1.00 0.00 O ATOM 1635 CB ILE A 102 1.459 -2.873 6.070 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.915 -2.190 4.779 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.170 -4.346 5.821 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.413 -2.226 4.574 1.00 0.00 C ATOM 0 H ILE A 102 1.372 -0.423 6.594 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.629 -2.332 5.964 1.00 0.00 H new ATOM 0 HB ILE A 102 2.264 -2.798 6.801 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.429 -2.672 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.583 -1.152 4.789 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.061 -4.829 5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.890 -4.825 6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.352 -4.441 5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.665 -1.724 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.906 -1.718 5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.750 -3.262 4.531 1.00 0.00 H new ATOM 1650 N SER A 103 0.440 -2.169 9.056 1.00 0.00 N ATOM 1651 CA SER A 103 0.205 -2.643 10.416 1.00 0.00 C ATOM 1652 C SER A 103 -1.285 -2.646 10.737 1.00 0.00 C ATOM 1653 O SER A 103 -1.813 -3.623 11.269 1.00 0.00 O ATOM 1654 CB SER A 103 0.955 -1.769 11.421 1.00 0.00 C ATOM 1655 OG SER A 103 2.331 -1.682 11.094 1.00 0.00 O ATOM 0 H SER A 103 1.054 -1.357 8.992 1.00 0.00 H new ATOM 0 HA SER A 103 0.577 -3.665 10.489 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.518 -0.771 11.437 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.842 -2.182 12.423 1.00 0.00 H new ATOM 0 HG SER A 103 2.788 -1.116 11.751 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.960 -1.551 10.405 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.390 -1.433 10.653 1.00 0.00 C ATOM 1663 C ALA A 104 -4.153 -2.543 9.939 1.00 0.00 C ATOM 1664 O ALA A 104 -5.192 -3.003 10.413 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.895 -0.069 10.208 1.00 0.00 C ATOM 0 H ALA A 104 -1.539 -0.733 9.964 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.562 -1.534 11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.966 0.003 10.400 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.373 0.711 10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.708 0.058 9.142 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.627 -2.972 8.797 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.252 -4.032 8.015 1.00 0.00 C ATOM 1673 C PHE A 105 -4.337 -5.320 8.820 1.00 0.00 C ATOM 1674 O PHE A 105 -5.250 -6.124 8.628 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.456 -4.282 6.733 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.304 -4.679 5.557 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.676 -6.001 5.358 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.724 -3.727 4.643 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.449 -6.361 4.274 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.494 -4.084 3.557 1.00 0.00 C ATOM 1681 CZ PHE A 105 -5.857 -5.402 3.372 1.00 0.00 C ATOM 0 H PHE A 105 -2.768 -2.601 8.392 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.262 -3.712 7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.901 -3.379 6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.722 -5.066 6.920 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.356 -6.757 6.060 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.445 -2.693 4.783 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -5.734 -7.393 4.132 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.813 -3.332 2.851 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.460 -5.682 2.521 1.00 0.00 H new ATOM 1691 N SER A 106 -3.372 -5.520 9.714 1.00 0.00 N ATOM 1692 CA SER A 106 -3.337 -6.725 10.534 1.00 0.00 C ATOM 1693 C SER A 106 -4.279 -6.624 11.728 1.00 0.00 C ATOM 1694 O SER A 106 -4.743 -7.640 12.245 1.00 0.00 O ATOM 1695 CB SER A 106 -1.911 -7.006 11.011 1.00 0.00 C ATOM 1696 OG SER A 106 -1.698 -8.395 11.193 1.00 0.00 O ATOM 0 H SER A 106 -2.608 -4.866 9.888 1.00 0.00 H new ATOM 0 HA SER A 106 -3.676 -7.553 9.912 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.198 -6.618 10.284 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.728 -6.481 11.948 1.00 0.00 H new ATOM 0 HG SER A 106 -0.779 -8.548 11.497 1.00 0.00 H new ATOM 1702 N THR A 107 -4.574 -5.406 12.156 1.00 0.00 N ATOM 1703 CA THR A 107 -5.479 -5.206 13.280 1.00 0.00 C ATOM 1704 C THR A 107 -6.892 -4.953 12.780 1.00 0.00 C ATOM 1705 O THR A 107 -7.868 -5.268 13.462 1.00 0.00 O ATOM 1706 CB THR A 107 -5.007 -4.046 14.158 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.636 -4.189 14.482 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.777 -3.927 15.456 1.00 0.00 C ATOM 0 H THR A 107 -4.204 -4.548 11.747 1.00 0.00 H new ATOM 0 HA THR A 107 -5.479 -6.112 13.886 1.00 0.00 H new ATOM 0 HB THR A 107 -5.181 -3.146 13.568 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.352 -3.437 15.042 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.392 -3.085 16.031 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.833 -3.766 15.239 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.661 -4.844 16.033 1.00 0.00 H new ATOM 1716 N MET A 108 -6.998 -4.403 11.578 1.00 0.00 N ATOM 1717 CA MET A 108 -8.293 -4.138 10.986 1.00 0.00 C ATOM 1718 C MET A 108 -8.828 -5.399 10.323 1.00 0.00 C ATOM 1719 O MET A 108 -10.037 -5.560 10.165 1.00 0.00 O ATOM 1720 CB MET A 108 -8.193 -3.004 9.971 1.00 0.00 C ATOM 1721 CG MET A 108 -7.847 -1.662 10.596 1.00 0.00 C ATOM 1722 SD MET A 108 -9.058 -1.133 11.824 1.00 0.00 S ATOM 1723 CE MET A 108 -8.787 0.637 11.826 1.00 0.00 C ATOM 0 H MET A 108 -6.203 -4.134 10.999 1.00 0.00 H new ATOM 0 HA MET A 108 -8.984 -3.834 11.772 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.436 -3.257 9.229 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.142 -2.916 9.441 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.865 -1.726 11.065 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.777 -0.908 9.812 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.464 1.108 12.538 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.756 0.847 12.112 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.975 1.035 10.829 1.00 0.00 H new ATOM 1733 N MET A 109 -7.921 -6.304 9.951 1.00 0.00 N ATOM 1734 CA MET A 109 -8.330 -7.551 9.328 1.00 0.00 C ATOM 1735 C MET A 109 -9.141 -8.375 10.316 1.00 0.00 C ATOM 1736 O MET A 109 -10.095 -9.056 9.937 1.00 0.00 O ATOM 1737 CB MET A 109 -7.113 -8.352 8.863 1.00 0.00 C ATOM 1738 CG MET A 109 -6.100 -8.607 9.960 1.00 0.00 C ATOM 1739 SD MET A 109 -4.898 -9.877 9.518 1.00 0.00 S ATOM 1740 CE MET A 109 -4.896 -10.874 11.005 1.00 0.00 C ATOM 0 H MET A 109 -6.914 -6.194 10.070 1.00 0.00 H new ATOM 0 HA MET A 109 -8.942 -7.318 8.457 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.449 -9.308 8.461 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.626 -7.817 8.048 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.575 -7.679 10.187 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.622 -8.908 10.868 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.198 -11.703 10.886 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.591 -10.261 11.853 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.898 -11.265 11.182 1.00 0.00 H new ATOM 1750 N SER A 110 -8.761 -8.302 11.593 1.00 0.00 N ATOM 1751 CA SER A 110 -9.467 -9.036 12.636 1.00 0.00 C ATOM 1752 C SER A 110 -10.946 -8.656 12.654 1.00 0.00 C ATOM 1753 O SER A 110 -11.786 -9.411 13.141 1.00 0.00 O ATOM 1754 CB SER A 110 -8.838 -8.756 14.002 1.00 0.00 C ATOM 1755 OG SER A 110 -7.853 -9.725 14.318 1.00 0.00 O ATOM 0 H SER A 110 -7.973 -7.745 11.925 1.00 0.00 H new ATOM 0 HA SER A 110 -9.384 -10.101 12.420 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.389 -7.763 14.002 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.612 -8.756 14.769 1.00 0.00 H new ATOM 0 HG SER A 110 -7.465 -9.523 15.195 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.253 -7.478 12.116 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.625 -6.993 12.065 1.00 0.00 C ATOM 1763 C VAL A 111 -13.409 -7.673 10.943 1.00 0.00 C ATOM 1764 O VAL A 111 -14.563 -8.060 11.130 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.663 -5.461 11.869 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -14.095 -4.967 11.710 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -11.981 -4.761 13.035 1.00 0.00 C ATOM 0 H VAL A 111 -10.567 -6.842 11.709 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.092 -7.240 13.018 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.121 -5.221 10.954 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.094 -3.886 11.574 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.549 -5.442 10.840 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -14.668 -5.219 12.602 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.016 -3.682 12.882 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.496 -5.013 13.962 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -10.942 -5.085 13.097 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.778 -7.821 9.780 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.429 -8.460 8.641 1.00 0.00 C ATOM 1779 C HIS A 112 -13.504 -9.972 8.840 1.00 0.00 C ATOM 1780 O HIS A 112 -14.436 -10.625 8.370 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.686 -8.128 7.338 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.441 -8.932 7.117 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.262 -10.256 6.904 1.00 0.00 N flip ATOM 1784 CD2 HIS A 112 -10.186 -8.376 7.113 1.00 0.00 C flip ATOM 1785 CE1 HIS A 112 -9.914 -10.473 6.785 1.00 0.00 C flip ATOM 1786 NE2 HIS A 112 -9.286 -9.323 6.914 1.00 0.00 N flip ATOM 0 H HIS A 112 -11.823 -7.509 9.603 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.445 -8.072 8.569 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.361 -8.287 6.497 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.425 -7.070 7.341 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -11.995 -10.963 6.843 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -9.968 -7.327 7.251 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -9.444 -11.430 6.614 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.517 -10.518 9.542 1.00 0.00 N ATOM 1796 CA ARG A 113 -12.469 -11.951 9.807 1.00 0.00 C ATOM 1797 C ARG A 113 -13.394 -12.322 10.962 1.00 0.00 C ATOM 1798 O ARG A 113 -13.916 -13.435 11.019 1.00 0.00 O ATOM 1799 CB ARG A 113 -11.037 -12.385 10.126 1.00 0.00 C ATOM 1800 CG ARG A 113 -10.690 -13.769 9.603 1.00 0.00 C ATOM 1801 CD ARG A 113 -10.869 -14.830 10.676 1.00 0.00 C ATOM 1802 NE ARG A 113 -12.224 -15.377 10.684 1.00 0.00 N ATOM 1803 CZ ARG A 113 -12.744 -16.084 9.684 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -12.027 -16.332 8.594 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -13.984 -16.545 9.772 1.00 0.00 N ATOM 0 H ARG A 113 -11.739 -9.990 9.938 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.808 -12.472 8.912 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.343 -11.660 9.700 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -10.893 -12.367 11.206 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.322 -14.005 8.747 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.659 -13.778 9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.154 -15.636 10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.646 -14.400 11.652 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.805 -15.207 11.505 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -11.073 -15.980 8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -12.431 -16.875 7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -14.540 -16.358 10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -14.382 -17.087 9.005 1.00 0.00 H new