USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 576 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 Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc=-0.00899 (180deg=-0.156) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 90:sc= 1.21 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.721 K(o=-0.72,f=-1.9) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 48:sc= 0.243 USER MOD Single : A 68 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -160:sc= -0.71 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.898 4.067 -3.770 1.00 23.23 N ATOM 178 CA LYS A 13 -1.094 4.449 -5.163 1.00 33.22 C ATOM 179 C LYS A 13 -1.262 3.216 -6.046 1.00 51.43 C ATOM 180 O LYS A 13 -1.980 3.250 -7.047 1.00 10.44 O ATOM 181 CB LYS A 13 0.088 5.285 -5.657 1.00 1.44 C ATOM 182 CG LYS A 13 -0.171 6.781 -5.629 1.00 54.01 C ATOM 183 CD LYS A 13 1.126 7.571 -5.581 1.00 1.51 C ATOM 184 CE LYS A 13 1.062 8.804 -6.470 1.00 71.45 C ATOM 185 NZ LYS A 13 1.836 9.940 -5.900 1.00 53.32 N ATOM 0 HA LYS A 13 -2.004 5.047 -5.225 1.00 33.22 H new ATOM 0 HB2 LYS A 13 0.960 5.064 -5.042 1.00 1.44 H new ATOM 0 HB3 LYS A 13 0.333 4.986 -6.676 1.00 1.44 H new ATOM 0 HG2 LYS A 13 -0.741 7.069 -6.512 1.00 54.01 H new ATOM 0 HG3 LYS A 13 -0.782 7.029 -4.761 1.00 54.01 H new ATOM 0 HD2 LYS A 13 1.332 7.872 -4.554 1.00 1.51 H new ATOM 0 HD3 LYS A 13 1.952 6.935 -5.898 1.00 1.51 H new ATOM 0 HE2 LYS A 13 1.451 8.559 -7.458 1.00 71.45 H new ATOM 0 HE3 LYS A 13 0.022 9.103 -6.602 1.00 71.45 H new ATOM 0 HZ1 LYS A 13 1.767 10.760 -6.535 1.00 53.32 H new ATOM 0 HZ2 LYS A 13 1.449 10.191 -4.968 1.00 53.32 H new ATOM 0 HZ3 LYS A 13 2.833 9.664 -5.798 1.00 53.32 H new ATOM 199 N LEU A 14 -0.598 2.129 -5.670 1.00 52.20 N ATOM 200 CA LEU A 14 -0.675 0.885 -6.427 1.00 74.43 C ATOM 201 C LEU A 14 -2.040 0.226 -6.253 1.00 33.42 C ATOM 202 O LEU A 14 -2.731 -0.063 -7.231 1.00 3.43 O ATOM 203 CB LEU A 14 0.428 -0.076 -5.981 1.00 63.22 C ATOM 204 CG LEU A 14 1.626 -0.205 -6.922 1.00 45.33 C ATOM 205 CD1 LEU A 14 2.174 1.168 -7.280 1.00 63.54 C ATOM 206 CD2 LEU A 14 2.711 -1.065 -6.290 1.00 20.30 C ATOM 0 H LEU A 14 0.000 2.084 -4.845 1.00 52.20 H new ATOM 0 HA LEU A 14 -0.537 1.121 -7.482 1.00 74.43 H new ATOM 0 HB2 LEU A 14 0.791 0.247 -5.005 1.00 63.22 H new ATOM 0 HB3 LEU A 14 -0.011 -1.064 -5.847 1.00 63.22 H new ATOM 0 HG LEU A 14 1.292 -0.691 -7.839 1.00 45.33 H new ATOM 0 HD11 LEU A 14 3.026 1.056 -7.950 1.00 63.54 H new ATOM 0 HD12 LEU A 14 1.398 1.752 -7.774 1.00 63.54 H new ATOM 0 HD13 LEU A 14 2.491 1.681 -6.372 1.00 63.54 H new ATOM 0 HD21 LEU A 14 3.556 -1.146 -6.974 1.00 20.30 H new ATOM 0 HD22 LEU A 14 3.041 -0.607 -5.358 1.00 20.30 H new ATOM 0 HD23 LEU A 14 2.314 -2.059 -6.085 1.00 20.30 H new ATOM 218 N TYR A 15 -2.423 -0.009 -5.003 1.00 51.35 N ATOM 219 CA TYR A 15 -3.705 -0.634 -4.701 1.00 64.12 C ATOM 220 C TYR A 15 -4.860 0.191 -5.261 1.00 0.43 C ATOM 221 O TYR A 15 -5.722 -0.327 -5.971 1.00 43.32 O ATOM 222 CB TYR A 15 -3.870 -0.803 -3.190 1.00 13.11 C ATOM 223 CG TYR A 15 -5.212 -1.372 -2.787 1.00 33.01 C ATOM 224 CD1 TYR A 15 -6.321 -0.548 -2.632 1.00 30.53 C ATOM 225 CD2 TYR A 15 -5.372 -2.734 -2.563 1.00 11.44 C ATOM 226 CE1 TYR A 15 -7.548 -1.064 -2.263 1.00 65.13 C ATOM 227 CE2 TYR A 15 -6.597 -3.258 -2.196 1.00 21.33 C ATOM 228 CZ TYR A 15 -7.681 -2.420 -2.047 1.00 4.12 C ATOM 229 OH TYR A 15 -8.902 -2.937 -1.682 1.00 1.34 O ATOM 0 H TYR A 15 -1.864 0.224 -4.182 1.00 51.35 H new ATOM 0 HA TYR A 15 -3.722 -1.616 -5.174 1.00 64.12 H new ATOM 0 HB2 TYR A 15 -3.081 -1.457 -2.818 1.00 13.11 H new ATOM 0 HB3 TYR A 15 -3.736 0.165 -2.708 1.00 13.11 H new ATOM 0 HD1 TYR A 15 -6.221 0.514 -2.803 1.00 30.53 H new ATOM 0 HD2 TYR A 15 -4.525 -3.394 -2.678 1.00 11.44 H new ATOM 0 HE1 TYR A 15 -8.399 -0.409 -2.144 1.00 65.13 H new ATOM 0 HE2 TYR A 15 -6.704 -4.319 -2.027 1.00 21.33 H new ATOM 0 HH TYR A 15 -8.826 -3.908 -1.570 1.00 1.34 H new ATOM 239 N LYS A 16 -4.869 1.480 -4.937 1.00 22.15 N ATOM 240 CA LYS A 16 -5.914 2.381 -5.408 1.00 13.13 C ATOM 241 C LYS A 16 -5.939 2.437 -6.932 1.00 3.11 C ATOM 242 O LYS A 16 -6.939 2.830 -7.531 1.00 73.35 O ATOM 243 CB LYS A 16 -5.700 3.785 -4.838 1.00 53.33 C ATOM 244 CG LYS A 16 -4.649 4.590 -5.582 1.00 33.23 C ATOM 245 CD LYS A 16 -5.281 5.567 -6.558 1.00 51.14 C ATOM 246 CE LYS A 16 -4.516 6.881 -6.606 1.00 54.23 C ATOM 247 NZ LYS A 16 -5.099 7.826 -7.597 1.00 43.24 N ATOM 0 H LYS A 16 -4.163 1.924 -4.349 1.00 22.15 H new ATOM 0 HA LYS A 16 -6.873 1.997 -5.061 1.00 13.13 H new ATOM 0 HB2 LYS A 16 -6.646 4.326 -4.864 1.00 53.33 H new ATOM 0 HB3 LYS A 16 -5.408 3.702 -3.791 1.00 53.33 H new ATOM 0 HG2 LYS A 16 -4.034 5.136 -4.867 1.00 33.23 H new ATOM 0 HG3 LYS A 16 -3.986 3.914 -6.121 1.00 33.23 H new ATOM 0 HD2 LYS A 16 -5.307 5.123 -7.553 1.00 51.14 H new ATOM 0 HD3 LYS A 16 -6.314 5.757 -6.267 1.00 51.14 H new ATOM 0 HE2 LYS A 16 -4.522 7.341 -5.618 1.00 54.23 H new ATOM 0 HE3 LYS A 16 -3.474 6.686 -6.860 1.00 54.23 H new ATOM 0 HZ1 LYS A 16 -4.550 8.709 -7.599 1.00 43.24 H new ATOM 0 HZ2 LYS A 16 -5.070 7.397 -8.544 1.00 43.24 H new ATOM 0 HZ3 LYS A 16 -6.086 8.033 -7.341 1.00 43.24 H new ATOM 261 N ASP A 17 -4.832 2.041 -7.551 1.00 70.45 N ATOM 262 CA ASP A 17 -4.728 2.044 -9.005 1.00 61.34 C ATOM 263 C ASP A 17 -5.256 0.738 -9.591 1.00 4.22 C ATOM 264 O ASP A 17 -5.703 0.695 -10.737 1.00 1.21 O ATOM 265 CB ASP A 17 -3.274 2.258 -9.434 1.00 54.43 C ATOM 266 CG ASP A 17 -3.079 2.079 -10.927 1.00 34.15 C ATOM 267 OD1 ASP A 17 -3.377 3.026 -11.683 1.00 54.33 O ATOM 268 OD2 ASP A 17 -2.625 0.991 -11.337 1.00 61.42 O ATOM 0 H ASP A 17 -3.995 1.714 -7.069 1.00 70.45 H new ATOM 0 HA ASP A 17 -5.336 2.865 -9.386 1.00 61.34 H new ATOM 0 HB2 ASP A 17 -2.957 3.261 -9.147 1.00 54.43 H new ATOM 0 HB3 ASP A 17 -2.634 1.556 -8.900 1.00 54.43 H new ATOM 273 N GLY A 18 -5.200 -0.326 -8.796 1.00 61.24 N ATOM 274 CA GLY A 18 -5.675 -1.619 -9.253 1.00 73.33 C ATOM 275 C GLY A 18 -4.597 -2.685 -9.200 1.00 52.40 C ATOM 276 O GLY A 18 -4.711 -3.726 -9.847 1.00 54.00 O ATOM 0 H GLY A 18 -4.834 -0.316 -7.844 1.00 61.24 H new ATOM 0 HA2 GLY A 18 -6.520 -1.930 -8.639 1.00 73.33 H new ATOM 0 HA3 GLY A 18 -6.041 -1.527 -10.276 1.00 73.33 H new ATOM 280 N VAL A 19 -3.547 -2.424 -8.428 1.00 54.12 N ATOM 281 CA VAL A 19 -2.444 -3.368 -8.293 1.00 11.21 C ATOM 282 C VAL A 19 -2.736 -4.403 -7.213 1.00 54.31 C ATOM 283 O VAL A 19 -3.170 -4.078 -6.107 1.00 30.03 O ATOM 284 CB VAL A 19 -1.126 -2.647 -7.955 1.00 13.22 C ATOM 285 CG1 VAL A 19 0.019 -3.644 -7.859 1.00 51.42 C ATOM 286 CG2 VAL A 19 -0.825 -1.574 -8.990 1.00 65.42 C ATOM 0 H VAL A 19 -3.437 -1.567 -7.887 1.00 54.12 H new ATOM 0 HA VAL A 19 -2.338 -3.870 -9.254 1.00 11.21 H new ATOM 0 HB VAL A 19 -1.236 -2.162 -6.985 1.00 13.22 H new ATOM 0 HG11 VAL A 19 0.942 -3.116 -7.620 1.00 51.42 H new ATOM 0 HG12 VAL A 19 -0.197 -4.371 -7.076 1.00 51.42 H new ATOM 0 HG13 VAL A 19 0.133 -4.160 -8.812 1.00 51.42 H new ATOM 0 HG21 VAL A 19 0.110 -1.075 -8.735 1.00 65.42 H new ATOM 0 HG22 VAL A 19 -0.735 -2.033 -9.974 1.00 65.42 H new ATOM 0 HG23 VAL A 19 -1.634 -0.844 -9.003 1.00 65.42 H new ATOM 296 N PRO A 20 -2.494 -5.681 -7.537 1.00 32.35 N ATOM 297 CA PRO A 20 -2.722 -6.791 -6.607 1.00 32.22 C ATOM 298 C PRO A 20 -1.728 -6.793 -5.451 1.00 22.34 C ATOM 299 O PRO A 20 -0.579 -6.379 -5.606 1.00 60.31 O ATOM 300 CB PRO A 20 -2.528 -8.033 -7.482 1.00 11.34 C ATOM 301 CG PRO A 20 -1.631 -7.584 -8.583 1.00 52.01 C ATOM 302 CD PRO A 20 -1.976 -6.142 -8.836 1.00 71.21 C ATOM 0 HA PRO A 20 -3.704 -6.733 -6.137 1.00 32.22 H new ATOM 0 HB2 PRO A 20 -2.081 -8.850 -6.916 1.00 11.34 H new ATOM 0 HB3 PRO A 20 -3.480 -8.397 -7.870 1.00 11.34 H new ATOM 0 HG2 PRO A 20 -0.584 -7.691 -8.301 1.00 52.01 H new ATOM 0 HG3 PRO A 20 -1.783 -8.185 -9.480 1.00 52.01 H new ATOM 0 HD2 PRO A 20 -1.103 -5.569 -9.146 1.00 71.21 H new ATOM 0 HD3 PRO A 20 -2.721 -6.040 -9.625 1.00 71.21 H new ATOM 310 N VAL A 21 -2.177 -7.263 -4.291 1.00 22.42 N ATOM 311 CA VAL A 21 -1.325 -7.321 -3.109 1.00 51.50 C ATOM 312 C VAL A 21 0.022 -7.958 -3.432 1.00 74.32 C ATOM 313 O VAL A 21 1.074 -7.435 -3.065 1.00 10.30 O ATOM 314 CB VAL A 21 -1.996 -8.113 -1.972 1.00 54.43 C ATOM 315 CG1 VAL A 21 -1.082 -8.186 -0.759 1.00 5.51 C ATOM 316 CG2 VAL A 21 -3.334 -7.489 -1.605 1.00 43.32 C ATOM 0 H VAL A 21 -3.125 -7.609 -4.145 1.00 22.42 H new ATOM 0 HA VAL A 21 -1.168 -6.293 -2.782 1.00 51.50 H new ATOM 0 HB VAL A 21 -2.179 -9.130 -2.320 1.00 54.43 H new ATOM 0 HG11 VAL A 21 -1.574 -8.750 0.034 1.00 5.51 H new ATOM 0 HG12 VAL A 21 -0.152 -8.683 -1.034 1.00 5.51 H new ATOM 0 HG13 VAL A 21 -0.864 -7.178 -0.406 1.00 5.51 H new ATOM 0 HG21 VAL A 21 -3.794 -8.062 -0.800 1.00 43.32 H new ATOM 0 HG22 VAL A 21 -3.178 -6.461 -1.276 1.00 43.32 H new ATOM 0 HG23 VAL A 21 -3.990 -7.496 -2.476 1.00 43.32 H new ATOM 326 N LYS A 22 -0.017 -9.094 -4.122 1.00 55.41 N ATOM 327 CA LYS A 22 1.199 -9.805 -4.497 1.00 11.44 C ATOM 328 C LYS A 22 2.176 -8.873 -5.206 1.00 11.31 C ATOM 329 O LYS A 22 3.383 -8.935 -4.977 1.00 1.43 O ATOM 330 CB LYS A 22 0.862 -10.992 -5.401 1.00 14.20 C ATOM 331 CG LYS A 22 0.108 -10.603 -6.661 1.00 34.50 C ATOM 332 CD LYS A 22 1.050 -10.415 -7.838 1.00 2.43 C ATOM 333 CE LYS A 22 1.307 -11.728 -8.562 1.00 54.24 C ATOM 334 NZ LYS A 22 0.119 -12.172 -9.342 1.00 72.41 N ATOM 0 H LYS A 22 -0.879 -9.542 -4.433 1.00 55.41 H new ATOM 0 HA LYS A 22 1.671 -10.173 -3.586 1.00 11.44 H new ATOM 0 HB2 LYS A 22 1.786 -11.497 -5.682 1.00 14.20 H new ATOM 0 HB3 LYS A 22 0.265 -11.709 -4.837 1.00 14.20 H new ATOM 0 HG2 LYS A 22 -0.625 -11.373 -6.900 1.00 34.50 H new ATOM 0 HG3 LYS A 22 -0.445 -9.680 -6.485 1.00 34.50 H new ATOM 0 HD2 LYS A 22 0.625 -9.692 -8.534 1.00 2.43 H new ATOM 0 HD3 LYS A 22 1.995 -10.001 -7.486 1.00 2.43 H new ATOM 0 HE2 LYS A 22 2.159 -11.613 -9.232 1.00 54.24 H new ATOM 0 HE3 LYS A 22 1.573 -12.497 -7.837 1.00 54.24 H new ATOM 0 HZ1 LYS A 22 0.408 -12.891 -10.036 1.00 72.41 H new ATOM 0 HZ2 LYS A 22 -0.588 -12.579 -8.697 1.00 72.41 H new ATOM 0 HZ3 LYS A 22 -0.294 -11.357 -9.839 1.00 72.41 H new ATOM 348 N GLU A 23 1.645 -8.010 -6.067 1.00 32.11 N ATOM 349 CA GLU A 23 2.472 -7.065 -6.809 1.00 23.33 C ATOM 350 C GLU A 23 2.895 -5.898 -5.921 1.00 53.22 C ATOM 351 O GLU A 23 4.055 -5.487 -5.930 1.00 3.50 O ATOM 352 CB GLU A 23 1.716 -6.543 -8.033 1.00 11.23 C ATOM 353 CG GLU A 23 2.477 -5.483 -8.810 1.00 70.14 C ATOM 354 CD GLU A 23 1.922 -5.273 -10.206 1.00 3.24 C ATOM 355 OE1 GLU A 23 1.388 -6.243 -10.783 1.00 72.30 O ATOM 356 OE2 GLU A 23 2.023 -4.140 -10.721 1.00 23.33 O ATOM 0 H GLU A 23 0.647 -7.946 -6.268 1.00 32.11 H new ATOM 0 HA GLU A 23 3.368 -7.589 -7.141 1.00 23.33 H new ATOM 0 HB2 GLU A 23 1.494 -7.379 -8.696 1.00 11.23 H new ATOM 0 HB3 GLU A 23 0.760 -6.130 -7.711 1.00 11.23 H new ATOM 0 HG2 GLU A 23 2.441 -4.541 -8.263 1.00 70.14 H new ATOM 0 HG3 GLU A 23 3.526 -5.771 -8.879 1.00 70.14 H new ATOM 363 N ILE A 24 1.944 -5.369 -5.158 1.00 55.25 N ATOM 364 CA ILE A 24 2.217 -4.251 -4.265 1.00 54.54 C ATOM 365 C ILE A 24 3.380 -4.564 -3.329 1.00 53.33 C ATOM 366 O ILE A 24 4.228 -3.711 -3.069 1.00 73.35 O ATOM 367 CB ILE A 24 0.979 -3.887 -3.423 1.00 54.04 C ATOM 368 CG1 ILE A 24 -0.211 -3.574 -4.334 1.00 21.33 C ATOM 369 CG2 ILE A 24 1.284 -2.705 -2.516 1.00 11.14 C ATOM 370 CD1 ILE A 24 -1.552 -3.846 -3.690 1.00 73.14 C ATOM 0 H ILE A 24 0.978 -5.697 -5.141 1.00 55.25 H new ATOM 0 HA ILE A 24 2.480 -3.402 -4.896 1.00 54.54 H new ATOM 0 HB ILE A 24 0.719 -4.741 -2.798 1.00 54.04 H new ATOM 0 HG12 ILE A 24 -0.165 -2.526 -4.631 1.00 21.33 H new ATOM 0 HG13 ILE A 24 -0.127 -4.167 -5.245 1.00 21.33 H new ATOM 0 HG21 ILE A 24 0.400 -2.460 -1.928 1.00 11.14 H new ATOM 0 HG22 ILE A 24 2.105 -2.962 -1.847 1.00 11.14 H new ATOM 0 HG23 ILE A 24 1.566 -1.844 -3.122 1.00 11.14 H new ATOM 0 HD11 ILE A 24 -2.349 -3.602 -4.392 1.00 73.14 H new ATOM 0 HD12 ILE A 24 -1.618 -4.899 -3.418 1.00 73.14 H new ATOM 0 HD13 ILE A 24 -1.657 -3.233 -2.795 1.00 73.14 H new ATOM 382 N ALA A 25 3.413 -5.795 -2.828 1.00 2.20 N ATOM 383 CA ALA A 25 4.473 -6.223 -1.924 1.00 25.30 C ATOM 384 C ALA A 25 5.830 -6.195 -2.620 1.00 24.44 C ATOM 385 O ALA A 25 6.820 -5.729 -2.054 1.00 63.13 O ATOM 386 CB ALA A 25 4.180 -7.616 -1.389 1.00 23.30 C ATOM 0 H ALA A 25 2.718 -6.513 -3.033 1.00 2.20 H new ATOM 0 HA ALA A 25 4.508 -5.526 -1.087 1.00 25.30 H new ATOM 0 HB1 ALA A 25 4.980 -7.923 -0.715 1.00 23.30 H new ATOM 0 HB2 ALA A 25 3.234 -7.606 -0.848 1.00 23.30 H new ATOM 0 HB3 ALA A 25 4.116 -8.319 -2.220 1.00 23.30 H new ATOM 392 N LYS A 26 5.871 -6.699 -3.848 1.00 63.32 N ATOM 393 CA LYS A 26 7.107 -6.733 -4.623 1.00 13.34 C ATOM 394 C LYS A 26 7.528 -5.326 -5.036 1.00 75.42 C ATOM 395 O LYS A 26 8.715 -5.002 -5.051 1.00 31.20 O ATOM 396 CB LYS A 26 6.932 -7.611 -5.863 1.00 64.13 C ATOM 397 CG LYS A 26 6.626 -9.062 -5.542 1.00 75.51 C ATOM 398 CD LYS A 26 7.675 -9.665 -4.622 1.00 41.52 C ATOM 399 CE LYS A 26 7.804 -11.165 -4.830 1.00 75.40 C ATOM 400 NZ LYS A 26 8.886 -11.751 -3.991 1.00 54.52 N ATOM 0 H LYS A 26 5.062 -7.090 -4.330 1.00 63.32 H new ATOM 0 HA LYS A 26 7.890 -7.157 -3.994 1.00 13.34 H new ATOM 0 HB2 LYS A 26 6.126 -7.205 -6.474 1.00 64.13 H new ATOM 0 HB3 LYS A 26 7.841 -7.564 -6.462 1.00 64.13 H new ATOM 0 HG2 LYS A 26 5.645 -9.132 -5.072 1.00 75.51 H new ATOM 0 HG3 LYS A 26 6.578 -9.637 -6.466 1.00 75.51 H new ATOM 0 HD2 LYS A 26 8.638 -9.187 -4.804 1.00 41.52 H new ATOM 0 HD3 LYS A 26 7.410 -9.462 -3.584 1.00 41.52 H new ATOM 0 HE2 LYS A 26 6.857 -11.648 -4.590 1.00 75.40 H new ATOM 0 HE3 LYS A 26 8.008 -11.370 -5.881 1.00 75.40 H new ATOM 0 HZ1 LYS A 26 8.942 -12.775 -4.162 1.00 54.52 H new ATOM 0 HZ2 LYS A 26 9.794 -11.309 -4.238 1.00 54.52 H new ATOM 0 HZ3 LYS A 26 8.678 -11.578 -2.987 1.00 54.52 H new ATOM 414 N ARG A 27 6.547 -4.494 -5.370 1.00 74.24 N ATOM 415 CA ARG A 27 6.816 -3.122 -5.784 1.00 54.41 C ATOM 416 C ARG A 27 7.306 -2.285 -4.606 1.00 74.31 C ATOM 417 O ARG A 27 8.325 -1.602 -4.699 1.00 3.15 O ATOM 418 CB ARG A 27 5.557 -2.491 -6.383 1.00 72.04 C ATOM 419 CG ARG A 27 5.424 -2.703 -7.883 1.00 12.24 C ATOM 420 CD ARG A 27 5.469 -1.384 -8.637 1.00 1.51 C ATOM 421 NE ARG A 27 5.817 -1.568 -10.043 1.00 34.04 N ATOM 422 CZ ARG A 27 5.801 -0.588 -10.939 1.00 62.41 C ATOM 423 NH1 ARG A 27 5.457 0.640 -10.577 1.00 75.24 N ATOM 424 NH2 ARG A 27 6.131 -0.835 -12.200 1.00 70.22 N ATOM 0 H ARG A 27 5.559 -4.746 -5.362 1.00 74.24 H new ATOM 0 HA ARG A 27 7.599 -3.145 -6.542 1.00 54.41 H new ATOM 0 HB2 ARG A 27 4.681 -2.908 -5.887 1.00 72.04 H new ATOM 0 HB3 ARG A 27 5.563 -1.421 -6.175 1.00 72.04 H new ATOM 0 HG2 ARG A 27 6.228 -3.351 -8.233 1.00 12.24 H new ATOM 0 HG3 ARG A 27 4.486 -3.214 -8.098 1.00 12.24 H new ATOM 0 HD2 ARG A 27 4.499 -0.892 -8.565 1.00 1.51 H new ATOM 0 HD3 ARG A 27 6.197 -0.723 -8.167 1.00 1.51 H new ATOM 0 HE ARG A 27 6.087 -2.501 -10.354 1.00 34.04 H new ATOM 0 HH11 ARG A 27 5.204 0.834 -9.608 1.00 75.24 H new ATOM 0 HH12 ARG A 27 5.446 1.391 -11.267 1.00 75.24 H new ATOM 0 HH21 ARG A 27 6.397 -1.778 -12.482 1.00 70.22 H new ATOM 0 HH22 ARG A 27 6.118 -0.082 -12.887 1.00 70.22 H new ATOM 438 N SER A 28 6.572 -2.344 -3.499 1.00 63.50 N ATOM 439 CA SER A 28 6.930 -1.589 -2.304 1.00 25.24 C ATOM 440 C SER A 28 7.987 -2.328 -1.490 1.00 21.22 C ATOM 441 O SER A 28 8.418 -1.857 -0.438 1.00 54.42 O ATOM 442 CB SER A 28 5.690 -1.337 -1.443 1.00 60.24 C ATOM 443 OG SER A 28 4.521 -1.269 -2.241 1.00 41.13 O ATOM 0 H SER A 28 5.726 -2.907 -3.405 1.00 63.50 H new ATOM 0 HA SER A 28 7.344 -0.632 -2.620 1.00 25.24 H new ATOM 0 HB2 SER A 28 5.586 -2.134 -0.707 1.00 60.24 H new ATOM 0 HB3 SER A 28 5.811 -0.406 -0.889 1.00 60.24 H new ATOM 0 HG SER A 28 4.133 -2.165 -2.330 1.00 41.13 H new ATOM 449 N ASN A 29 8.400 -3.490 -1.984 1.00 71.23 N ATOM 450 CA ASN A 29 9.406 -4.297 -1.303 1.00 1.43 C ATOM 451 C ASN A 29 9.001 -4.564 0.144 1.00 42.15 C ATOM 452 O ASN A 29 9.842 -4.575 1.042 1.00 74.02 O ATOM 453 CB ASN A 29 10.766 -3.595 -1.343 1.00 54.53 C ATOM 454 CG ASN A 29 11.391 -3.625 -2.723 1.00 21.43 C ATOM 455 OD1 ASN A 29 11.295 -2.661 -3.483 1.00 14.00 O ATOM 456 ND2 ASN A 29 12.039 -4.736 -3.055 1.00 35.42 N ATOM 0 H ASN A 29 8.054 -3.894 -2.854 1.00 71.23 H new ATOM 0 HA ASN A 29 9.482 -5.252 -1.822 1.00 1.43 H new ATOM 0 HB2 ASN A 29 10.647 -2.560 -1.023 1.00 54.53 H new ATOM 0 HB3 ASN A 29 11.440 -4.073 -0.632 1.00 54.53 H new ATOM 0 HD21 ASN A 29 12.482 -4.814 -3.971 1.00 35.42 H new ATOM 0 HD22 ASN A 29 12.094 -5.511 -2.394 1.00 35.42 H new ATOM 463 N ASN A 30 7.707 -4.780 0.360 1.00 5.42 N ATOM 464 CA ASN A 30 7.191 -5.047 1.697 1.00 51.43 C ATOM 465 C ASN A 30 6.590 -6.447 1.779 1.00 20.21 C ATOM 466 O ASN A 30 6.519 -7.162 0.779 1.00 52.10 O ATOM 467 CB ASN A 30 6.136 -4.005 2.077 1.00 63.35 C ATOM 468 CG ASN A 30 6.715 -2.867 2.895 1.00 71.32 C ATOM 469 OD1 ASN A 30 7.489 -3.088 3.826 1.00 73.33 O ATOM 470 ND2 ASN A 30 6.340 -1.640 2.550 1.00 33.03 N ATOM 0 H ASN A 30 6.998 -4.775 -0.373 1.00 5.42 H new ATOM 0 HA ASN A 30 8.023 -4.986 2.399 1.00 51.43 H new ATOM 0 HB2 ASN A 30 5.683 -3.603 1.171 1.00 63.35 H new ATOM 0 HB3 ASN A 30 5.340 -4.488 2.644 1.00 63.35 H new ATOM 0 HD21 ASN A 30 6.696 -0.834 3.064 1.00 33.03 H new ATOM 0 HD22 ASN A 30 5.696 -1.504 1.771 1.00 33.03 H new ATOM 477 N SER A 31 6.161 -6.832 2.976 1.00 52.02 N ATOM 478 CA SER A 31 5.569 -8.148 3.189 1.00 2.14 C ATOM 479 C SER A 31 4.053 -8.093 3.036 1.00 12.34 C ATOM 480 O SER A 31 3.443 -7.031 3.160 1.00 21.05 O ATOM 481 CB SER A 31 5.934 -8.675 4.578 1.00 5.15 C ATOM 482 OG SER A 31 6.696 -9.867 4.487 1.00 12.44 O ATOM 0 H SER A 31 6.212 -6.252 3.813 1.00 52.02 H new ATOM 0 HA SER A 31 5.968 -8.825 2.434 1.00 2.14 H new ATOM 0 HB2 SER A 31 6.500 -7.918 5.120 1.00 5.15 H new ATOM 0 HB3 SER A 31 5.025 -8.863 5.149 1.00 5.15 H new ATOM 0 HG SER A 31 6.918 -10.183 5.388 1.00 12.44 H new ATOM 488 N MET A 32 3.450 -9.247 2.766 1.00 42.33 N ATOM 489 CA MET A 32 2.004 -9.331 2.597 1.00 72.01 C ATOM 490 C MET A 32 1.280 -8.760 3.812 1.00 62.05 C ATOM 491 O MET A 32 0.206 -8.173 3.686 1.00 51.55 O ATOM 492 CB MET A 32 1.579 -10.784 2.372 1.00 14.43 C ATOM 493 CG MET A 32 0.689 -10.976 1.156 1.00 70.23 C ATOM 494 SD MET A 32 -0.731 -12.035 1.494 1.00 63.21 S ATOM 495 CE MET A 32 0.070 -13.626 1.682 1.00 23.03 C ATOM 0 H MET A 32 3.940 -10.135 2.660 1.00 42.33 H new ATOM 0 HA MET A 32 1.731 -8.740 1.723 1.00 72.01 H new ATOM 0 HB2 MET A 32 2.470 -11.401 2.261 1.00 14.43 H new ATOM 0 HB3 MET A 32 1.053 -11.141 3.257 1.00 14.43 H new ATOM 0 HG2 MET A 32 0.338 -10.004 0.810 1.00 70.23 H new ATOM 0 HG3 MET A 32 1.276 -11.409 0.346 1.00 70.23 H new ATOM 0 HE1 MET A 32 -0.680 -14.388 1.896 1.00 23.03 H new ATOM 0 HE2 MET A 32 0.594 -13.881 0.761 1.00 23.03 H new ATOM 0 HE3 MET A 32 0.784 -13.579 2.504 1.00 23.03 H new ATOM 505 N SER A 33 1.876 -8.934 4.987 1.00 30.22 N ATOM 506 CA SER A 33 1.286 -8.440 6.224 1.00 11.42 C ATOM 507 C SER A 33 1.532 -6.942 6.384 1.00 24.33 C ATOM 508 O SER A 33 0.818 -6.257 7.116 1.00 52.50 O ATOM 509 CB SER A 33 1.860 -9.193 7.426 1.00 53.23 C ATOM 510 OG SER A 33 0.986 -10.226 7.846 1.00 72.24 O ATOM 0 H SER A 33 2.768 -9.414 5.108 1.00 30.22 H new ATOM 0 HA SER A 33 0.211 -8.612 6.177 1.00 11.42 H new ATOM 0 HB2 SER A 33 2.830 -9.617 7.164 1.00 53.23 H new ATOM 0 HB3 SER A 33 2.028 -8.498 8.248 1.00 53.23 H new ATOM 0 HG SER A 33 1.377 -10.693 8.614 1.00 72.24 H new ATOM 516 N THR A 34 2.551 -6.440 5.692 1.00 34.42 N ATOM 517 CA THR A 34 2.895 -5.025 5.756 1.00 31.50 C ATOM 518 C THR A 34 2.048 -4.210 4.786 1.00 25.42 C ATOM 519 O THR A 34 1.451 -3.202 5.163 1.00 31.11 O ATOM 520 CB THR A 34 4.385 -4.795 5.441 1.00 12.20 C ATOM 521 OG1 THR A 34 5.195 -5.650 6.253 1.00 23.15 O ATOM 522 CG2 THR A 34 4.770 -3.343 5.681 1.00 12.24 C ATOM 0 H THR A 34 3.152 -6.993 5.081 1.00 34.42 H new ATOM 0 HA THR A 34 2.693 -4.695 6.775 1.00 31.50 H new ATOM 0 HB THR A 34 4.552 -5.030 4.390 1.00 12.20 H new ATOM 0 HG1 THR A 34 6.141 -5.499 6.045 1.00 23.15 H new ATOM 0 HG21 THR A 34 5.827 -3.204 5.452 1.00 12.24 H new ATOM 0 HG22 THR A 34 4.172 -2.697 5.039 1.00 12.24 H new ATOM 0 HG23 THR A 34 4.588 -3.086 6.725 1.00 12.24 H new ATOM 530 N VAL A 35 2.003 -4.652 3.532 1.00 50.31 N ATOM 531 CA VAL A 35 1.228 -3.963 2.507 1.00 12.24 C ATOM 532 C VAL A 35 -0.257 -3.954 2.853 1.00 21.13 C ATOM 533 O VAL A 35 -0.878 -2.895 2.940 1.00 43.10 O ATOM 534 CB VAL A 35 1.418 -4.617 1.126 1.00 22.43 C ATOM 535 CG1 VAL A 35 0.310 -4.191 0.175 1.00 13.31 C ATOM 536 CG2 VAL A 35 2.784 -4.268 0.555 1.00 42.32 C ATOM 0 H VAL A 35 2.494 -5.483 3.203 1.00 50.31 H new ATOM 0 HA VAL A 35 1.595 -2.937 2.469 1.00 12.24 H new ATOM 0 HB VAL A 35 1.365 -5.699 1.246 1.00 22.43 H new ATOM 0 HG11 VAL A 35 0.462 -4.663 -0.795 1.00 13.31 H new ATOM 0 HG12 VAL A 35 -0.655 -4.496 0.580 1.00 13.31 H new ATOM 0 HG13 VAL A 35 0.328 -3.107 0.058 1.00 13.31 H new ATOM 0 HG21 VAL A 35 2.901 -4.739 -0.421 1.00 42.32 H new ATOM 0 HG22 VAL A 35 2.869 -3.186 0.449 1.00 42.32 H new ATOM 0 HG23 VAL A 35 3.562 -4.629 1.227 1.00 42.32 H new ATOM 546 N TYR A 36 -0.819 -5.141 3.051 1.00 53.13 N ATOM 547 CA TYR A 36 -2.232 -5.270 3.386 1.00 34.21 C ATOM 548 C TYR A 36 -2.591 -4.395 4.582 1.00 61.32 C ATOM 549 O TYR A 36 -3.650 -3.768 4.612 1.00 15.43 O ATOM 550 CB TYR A 36 -2.575 -6.731 3.687 1.00 5.21 C ATOM 551 CG TYR A 36 -4.045 -7.051 3.538 1.00 2.01 C ATOM 552 CD1 TYR A 36 -4.683 -6.919 2.311 1.00 14.50 C ATOM 553 CD2 TYR A 36 -4.794 -7.487 4.624 1.00 74.41 C ATOM 554 CE1 TYR A 36 -6.027 -7.210 2.171 1.00 1.03 C ATOM 555 CE2 TYR A 36 -6.137 -7.783 4.492 1.00 50.24 C ATOM 556 CZ TYR A 36 -6.750 -7.642 3.264 1.00 24.43 C ATOM 557 OH TYR A 36 -8.087 -7.934 3.127 1.00 0.14 O ATOM 0 H TYR A 36 -0.318 -6.027 2.985 1.00 53.13 H new ATOM 0 HA TYR A 36 -2.815 -4.936 2.527 1.00 34.21 H new ATOM 0 HB2 TYR A 36 -2.002 -7.375 3.020 1.00 5.21 H new ATOM 0 HB3 TYR A 36 -2.262 -6.967 4.704 1.00 5.21 H new ATOM 0 HD1 TYR A 36 -4.120 -6.584 1.453 1.00 14.50 H new ATOM 0 HD2 TYR A 36 -4.318 -7.596 5.587 1.00 74.41 H new ATOM 0 HE1 TYR A 36 -6.509 -7.100 1.211 1.00 1.03 H new ATOM 0 HE2 TYR A 36 -6.704 -8.123 5.346 1.00 50.24 H new ATOM 0 HH TYR A 36 -8.448 -8.226 3.990 1.00 0.14 H new ATOM 567 N LYS A 37 -1.700 -4.356 5.566 1.00 15.03 N ATOM 568 CA LYS A 37 -1.918 -3.557 6.767 1.00 41.34 C ATOM 569 C LYS A 37 -2.050 -2.077 6.417 1.00 15.44 C ATOM 570 O LYS A 37 -2.739 -1.326 7.108 1.00 21.32 O ATOM 571 CB LYS A 37 -0.768 -3.758 7.755 1.00 15.13 C ATOM 572 CG LYS A 37 -0.901 -2.927 9.021 1.00 70.34 C ATOM 573 CD LYS A 37 -0.191 -3.582 10.194 1.00 60.33 C ATOM 574 CE LYS A 37 -0.436 -2.821 11.488 1.00 64.23 C ATOM 575 NZ LYS A 37 0.372 -1.572 11.557 1.00 51.20 N ATOM 0 H LYS A 37 -0.818 -4.869 5.556 1.00 15.03 H new ATOM 0 HA LYS A 37 -2.847 -3.888 7.231 1.00 41.34 H new ATOM 0 HB2 LYS A 37 -0.713 -4.812 8.026 1.00 15.13 H new ATOM 0 HB3 LYS A 37 0.171 -3.507 7.262 1.00 15.13 H new ATOM 0 HG2 LYS A 37 -0.485 -1.934 8.851 1.00 70.34 H new ATOM 0 HG3 LYS A 37 -1.956 -2.794 9.261 1.00 70.34 H new ATOM 0 HD2 LYS A 37 -0.538 -4.609 10.303 1.00 60.33 H new ATOM 0 HD3 LYS A 37 0.880 -3.627 9.994 1.00 60.33 H new ATOM 0 HE2 LYS A 37 -1.495 -2.574 11.569 1.00 64.23 H new ATOM 0 HE3 LYS A 37 -0.191 -3.459 12.337 1.00 64.23 H new ATOM 0 HZ1 LYS A 37 0.177 -1.082 12.453 1.00 51.20 H new ATOM 0 HZ2 LYS A 37 1.383 -1.809 11.505 1.00 51.20 H new ATOM 0 HZ3 LYS A 37 0.121 -0.951 10.761 1.00 51.20 H new ATOM 589 N ALA A 38 -1.386 -1.666 5.342 1.00 74.41 N ATOM 590 CA ALA A 38 -1.433 -0.278 4.900 1.00 4.34 C ATOM 591 C ALA A 38 -2.740 0.024 4.176 1.00 64.23 C ATOM 592 O ALA A 38 -3.352 1.072 4.390 1.00 54.03 O ATOM 593 CB ALA A 38 -0.245 0.029 4.001 1.00 43.41 C ATOM 0 H ALA A 38 -0.809 -2.274 4.761 1.00 74.41 H new ATOM 0 HA ALA A 38 -1.382 0.361 5.782 1.00 4.34 H new ATOM 0 HB1 ALA A 38 -0.292 1.069 3.678 1.00 43.41 H new ATOM 0 HB2 ALA A 38 0.681 -0.138 4.552 1.00 43.41 H new ATOM 0 HB3 ALA A 38 -0.271 -0.624 3.128 1.00 43.41 H new ATOM 599 N LEU A 39 -3.162 -0.898 3.318 1.00 64.03 N ATOM 600 CA LEU A 39 -4.397 -0.729 2.560 1.00 41.13 C ATOM 601 C LEU A 39 -5.584 -0.515 3.494 1.00 51.14 C ATOM 602 O LEU A 39 -6.363 0.421 3.318 1.00 71.20 O ATOM 603 CB LEU A 39 -4.645 -1.951 1.673 1.00 44.44 C ATOM 604 CG LEU A 39 -3.462 -2.412 0.820 1.00 54.45 C ATOM 605 CD1 LEU A 39 -3.815 -3.683 0.063 1.00 51.54 C ATOM 606 CD2 LEU A 39 -3.041 -1.314 -0.145 1.00 24.15 C ATOM 0 H LEU A 39 -2.668 -1.770 3.130 1.00 64.03 H new ATOM 0 HA LEU A 39 -4.290 0.154 1.930 1.00 41.13 H new ATOM 0 HB2 LEU A 39 -4.953 -2.780 2.309 1.00 44.44 H new ATOM 0 HB3 LEU A 39 -5.481 -1.730 1.010 1.00 44.44 H new ATOM 0 HG LEU A 39 -2.623 -2.628 1.481 1.00 54.45 H new ATOM 0 HD11 LEU A 39 -2.962 -3.997 -0.539 1.00 51.54 H new ATOM 0 HD12 LEU A 39 -4.068 -4.471 0.773 1.00 51.54 H new ATOM 0 HD13 LEU A 39 -4.668 -3.494 -0.588 1.00 51.54 H new ATOM 0 HD21 LEU A 39 -2.198 -1.659 -0.744 1.00 24.15 H new ATOM 0 HD22 LEU A 39 -3.875 -1.067 -0.801 1.00 24.15 H new ATOM 0 HD23 LEU A 39 -2.747 -0.428 0.418 1.00 24.15 H new ATOM 618 N GLU A 40 -5.713 -1.388 4.488 1.00 52.24 N ATOM 619 CA GLU A 40 -6.805 -1.294 5.451 1.00 43.10 C ATOM 620 C GLU A 40 -6.779 0.052 6.172 1.00 60.12 C ATOM 621 O GLU A 40 -7.820 0.582 6.558 1.00 35.23 O ATOM 622 CB GLU A 40 -6.716 -2.432 6.469 1.00 54.12 C ATOM 623 CG GLU A 40 -5.377 -2.510 7.181 1.00 5.34 C ATOM 624 CD GLU A 40 -5.423 -3.386 8.418 1.00 65.53 C ATOM 625 OE1 GLU A 40 -6.392 -4.161 8.559 1.00 25.43 O ATOM 626 OE2 GLU A 40 -4.490 -3.298 9.243 1.00 0.05 O ATOM 0 H GLU A 40 -5.076 -2.168 4.648 1.00 52.24 H new ATOM 0 HA GLU A 40 -7.745 -1.377 4.906 1.00 43.10 H new ATOM 0 HB2 GLU A 40 -7.505 -2.307 7.210 1.00 54.12 H new ATOM 0 HB3 GLU A 40 -6.903 -3.378 5.961 1.00 54.12 H new ATOM 0 HG2 GLU A 40 -4.626 -2.899 6.493 1.00 5.34 H new ATOM 0 HG3 GLU A 40 -5.061 -1.506 7.463 1.00 5.34 H new ATOM 633 N LYS A 41 -5.581 0.598 6.349 1.00 43.12 N ATOM 634 CA LYS A 41 -5.416 1.881 7.022 1.00 33.33 C ATOM 635 C LYS A 41 -5.747 3.035 6.081 1.00 33.11 C ATOM 636 O LYS A 41 -6.349 4.030 6.490 1.00 61.32 O ATOM 637 CB LYS A 41 -3.985 2.028 7.543 1.00 64.21 C ATOM 638 CG LYS A 41 -3.901 2.227 9.045 1.00 1.44 C ATOM 639 CD LYS A 41 -3.618 0.920 9.768 1.00 45.35 C ATOM 640 CE LYS A 41 -4.893 0.298 10.315 1.00 25.32 C ATOM 641 NZ LYS A 41 -4.672 -0.345 11.640 1.00 4.42 N ATOM 0 H LYS A 41 -4.709 0.172 6.035 1.00 43.12 H new ATOM 0 HA LYS A 41 -6.107 1.912 7.864 1.00 33.33 H new ATOM 0 HB2 LYS A 41 -3.415 1.140 7.271 1.00 64.21 H new ATOM 0 HB3 LYS A 41 -3.512 2.875 7.046 1.00 64.21 H new ATOM 0 HG2 LYS A 41 -3.116 2.947 9.274 1.00 1.44 H new ATOM 0 HG3 LYS A 41 -4.837 2.650 9.409 1.00 1.44 H new ATOM 0 HD2 LYS A 41 -3.136 0.222 9.084 1.00 45.35 H new ATOM 0 HD3 LYS A 41 -2.920 1.099 10.585 1.00 45.35 H new ATOM 0 HE2 LYS A 41 -5.661 1.066 10.408 1.00 25.32 H new ATOM 0 HE3 LYS A 41 -5.267 -0.444 9.609 1.00 25.32 H new ATOM 0 HZ1 LYS A 41 -5.565 -0.757 11.979 1.00 4.42 H new ATOM 0 HZ2 LYS A 41 -3.958 -1.095 11.547 1.00 4.42 H new ATOM 0 HZ3 LYS A 41 -4.339 0.368 12.321 1.00 4.42 H new ATOM 655 N LEU A 42 -5.353 2.896 4.821 1.00 50.43 N ATOM 656 CA LEU A 42 -5.609 3.927 3.821 1.00 40.23 C ATOM 657 C LEU A 42 -7.095 4.000 3.482 1.00 14.13 C ATOM 658 O LEU A 42 -7.696 5.073 3.514 1.00 60.03 O ATOM 659 CB LEU A 42 -4.799 3.650 2.553 1.00 14.22 C ATOM 660 CG LEU A 42 -3.278 3.662 2.714 1.00 20.42 C ATOM 661 CD1 LEU A 42 -2.642 2.590 1.843 1.00 24.43 C ATOM 662 CD2 LEU A 42 -2.717 5.034 2.369 1.00 23.25 C ATOM 0 H LEU A 42 -4.855 2.079 4.467 1.00 50.43 H new ATOM 0 HA LEU A 42 -5.302 4.886 4.238 1.00 40.23 H new ATOM 0 HB2 LEU A 42 -5.096 2.677 2.161 1.00 14.22 H new ATOM 0 HB3 LEU A 42 -5.071 4.392 1.802 1.00 14.22 H new ATOM 0 HG LEU A 42 -3.039 3.445 3.755 1.00 20.42 H new ATOM 0 HD11 LEU A 42 -1.560 2.613 1.970 1.00 24.43 H new ATOM 0 HD12 LEU A 42 -3.021 1.611 2.136 1.00 24.43 H new ATOM 0 HD13 LEU A 42 -2.889 2.777 0.798 1.00 24.43 H new ATOM 0 HD21 LEU A 42 -1.634 5.025 2.489 1.00 23.25 H new ATOM 0 HD22 LEU A 42 -2.966 5.280 1.337 1.00 23.25 H new ATOM 0 HD23 LEU A 42 -3.149 5.782 3.034 1.00 23.25 H new ATOM 674 N GLU A 43 -7.680 2.851 3.162 1.00 60.14 N ATOM 675 CA GLU A 43 -9.096 2.785 2.819 1.00 61.43 C ATOM 676 C GLU A 43 -9.953 3.388 3.928 1.00 42.24 C ATOM 677 O GLU A 43 -10.987 4.002 3.664 1.00 62.34 O ATOM 678 CB GLU A 43 -9.516 1.336 2.566 1.00 11.04 C ATOM 679 CG GLU A 43 -10.314 1.147 1.287 1.00 53.31 C ATOM 680 CD GLU A 43 -11.802 1.005 1.544 1.00 52.32 C ATOM 681 OE1 GLU A 43 -12.190 0.095 2.305 1.00 3.43 O ATOM 682 OE2 GLU A 43 -12.579 1.807 0.983 1.00 15.22 O ATOM 0 H GLU A 43 -7.196 1.953 3.133 1.00 60.14 H new ATOM 0 HA GLU A 43 -9.250 3.364 1.909 1.00 61.43 H new ATOM 0 HB2 GLU A 43 -8.624 0.711 2.523 1.00 11.04 H new ATOM 0 HB3 GLU A 43 -10.111 0.986 3.410 1.00 11.04 H new ATOM 0 HG2 GLU A 43 -10.142 1.997 0.627 1.00 53.31 H new ATOM 0 HG3 GLU A 43 -9.953 0.261 0.765 1.00 53.31 H new ATOM 689 N ALA A 44 -9.515 3.209 5.169 1.00 1.55 N ATOM 690 CA ALA A 44 -10.240 3.736 6.319 1.00 13.31 C ATOM 691 C ALA A 44 -10.214 5.262 6.332 1.00 74.50 C ATOM 692 O ALA A 44 -11.082 5.901 6.926 1.00 61.52 O ATOM 693 CB ALA A 44 -9.655 3.185 7.611 1.00 43.21 C ATOM 0 H ALA A 44 -8.661 2.703 5.404 1.00 1.55 H new ATOM 0 HA ALA A 44 -11.279 3.417 6.239 1.00 13.31 H new ATOM 0 HB1 ALA A 44 -10.206 3.587 8.461 1.00 43.21 H new ATOM 0 HB2 ALA A 44 -9.732 2.098 7.611 1.00 43.21 H new ATOM 0 HB3 ALA A 44 -8.607 3.475 7.689 1.00 43.21 H new ATOM 699 N MET A 45 -9.213 5.837 5.675 1.00 3.13 N ATOM 700 CA MET A 45 -9.074 7.287 5.612 1.00 34.10 C ATOM 701 C MET A 45 -9.618 7.828 4.294 1.00 53.34 C ATOM 702 O MET A 45 -9.992 8.996 4.198 1.00 75.22 O ATOM 703 CB MET A 45 -7.606 7.688 5.774 1.00 51.44 C ATOM 704 CG MET A 45 -7.059 7.437 7.169 1.00 33.55 C ATOM 705 SD MET A 45 -7.677 8.618 8.382 1.00 72.10 S ATOM 706 CE MET A 45 -6.788 8.095 9.847 1.00 44.32 C ATOM 0 H MET A 45 -8.486 5.321 5.179 1.00 3.13 H new ATOM 0 HA MET A 45 -9.653 7.718 6.429 1.00 34.10 H new ATOM 0 HB2 MET A 45 -7.005 7.135 5.052 1.00 51.44 H new ATOM 0 HB3 MET A 45 -7.498 8.746 5.535 1.00 51.44 H new ATOM 0 HG2 MET A 45 -7.325 6.428 7.483 1.00 33.55 H new ATOM 0 HG3 MET A 45 -5.970 7.486 7.142 1.00 33.55 H new ATOM 0 HE1 MET A 45 -7.064 8.732 10.687 1.00 44.32 H new ATOM 0 HE2 MET A 45 -7.043 7.060 10.077 1.00 44.32 H new ATOM 0 HE3 MET A 45 -5.715 8.174 9.669 1.00 44.32 H new ATOM 716 N GLY A 46 -9.660 6.970 3.278 1.00 2.13 N ATOM 717 CA GLY A 46 -10.159 7.381 1.980 1.00 52.14 C ATOM 718 C GLY A 46 -9.049 7.801 1.038 1.00 73.04 C ATOM 719 O GLY A 46 -9.268 8.601 0.127 1.00 4.24 O ATOM 0 H GLY A 46 -9.357 5.998 3.332 1.00 2.13 H new ATOM 0 HA2 GLY A 46 -10.719 6.560 1.533 1.00 52.14 H new ATOM 0 HA3 GLY A 46 -10.856 8.210 2.108 1.00 52.14 H new ATOM 723 N ARG A 47 -7.854 7.263 1.256 1.00 3.14 N ATOM 724 CA ARG A 47 -6.704 7.589 0.422 1.00 42.32 C ATOM 725 C ARG A 47 -6.707 6.756 -0.857 1.00 0.35 C ATOM 726 O ARG A 47 -6.470 7.275 -1.947 1.00 64.33 O ATOM 727 CB ARG A 47 -5.404 7.356 1.193 1.00 11.40 C ATOM 728 CG ARG A 47 -5.451 7.851 2.629 1.00 41.12 C ATOM 729 CD ARG A 47 -5.680 9.353 2.694 1.00 63.21 C ATOM 730 NE ARG A 47 -4.499 10.067 3.172 1.00 54.04 N ATOM 731 CZ ARG A 47 -4.529 11.315 3.624 1.00 10.45 C ATOM 732 NH1 ARG A 47 -5.673 11.985 3.660 1.00 14.02 N ATOM 733 NH2 ARG A 47 -3.412 11.897 4.043 1.00 45.02 N ATOM 0 H ARG A 47 -7.657 6.598 2.004 1.00 3.14 H new ATOM 0 HA ARG A 47 -6.772 8.642 0.150 1.00 42.32 H new ATOM 0 HB2 ARG A 47 -5.177 6.290 1.192 1.00 11.40 H new ATOM 0 HB3 ARG A 47 -4.588 7.856 0.672 1.00 11.40 H new ATOM 0 HG2 ARG A 47 -6.248 7.337 3.166 1.00 41.12 H new ATOM 0 HG3 ARG A 47 -4.516 7.602 3.131 1.00 41.12 H new ATOM 0 HD2 ARG A 47 -5.950 9.722 1.704 1.00 63.21 H new ATOM 0 HD3 ARG A 47 -6.522 9.563 3.353 1.00 63.21 H new ATOM 0 HE ARG A 47 -3.603 9.581 3.158 1.00 54.04 H new ATOM 0 HH11 ARG A 47 -6.534 11.542 3.340 1.00 14.02 H new ATOM 0 HH12 ARG A 47 -5.692 12.944 4.008 1.00 14.02 H new ATOM 0 HH21 ARG A 47 -2.530 11.385 4.018 1.00 45.02 H new ATOM 0 HH22 ARG A 47 -3.436 12.856 4.390 1.00 45.02 H new ATOM 747 N ILE A 48 -6.976 5.463 -0.713 1.00 23.41 N ATOM 748 CA ILE A 48 -7.009 4.559 -1.855 1.00 62.45 C ATOM 749 C ILE A 48 -8.424 4.421 -2.406 1.00 74.12 C ATOM 750 O ILE A 48 -8.619 4.210 -3.604 1.00 41.12 O ATOM 751 CB ILE A 48 -6.475 3.162 -1.485 1.00 10.52 C ATOM 752 CG1 ILE A 48 -7.325 2.548 -0.370 1.00 63.41 C ATOM 753 CG2 ILE A 48 -5.018 3.248 -1.061 1.00 24.44 C ATOM 754 CD1 ILE A 48 -6.867 1.168 0.048 1.00 45.11 C ATOM 0 H ILE A 48 -7.174 5.018 0.183 1.00 23.41 H new ATOM 0 HA ILE A 48 -6.365 4.993 -2.619 1.00 62.45 H new ATOM 0 HB ILE A 48 -6.540 2.519 -2.363 1.00 10.52 H new ATOM 0 HG12 ILE A 48 -7.303 3.208 0.498 1.00 63.41 H new ATOM 0 HG13 ILE A 48 -8.362 2.493 -0.703 1.00 63.41 H new ATOM 0 HG21 ILE A 48 -4.655 2.253 -0.803 1.00 24.44 H new ATOM 0 HG22 ILE A 48 -4.423 3.650 -1.882 1.00 24.44 H new ATOM 0 HG23 ILE A 48 -4.929 3.903 -0.194 1.00 24.44 H new ATOM 0 HD11 ILE A 48 -7.515 0.795 0.841 1.00 45.11 H new ATOM 0 HD12 ILE A 48 -6.915 0.494 -0.807 1.00 45.11 H new ATOM 0 HD13 ILE A 48 -5.841 1.220 0.412 1.00 45.11 H new ATOM 1035 N THR A 62 -41.196 -9.807 7.696 1.00 42.40 N ATOM 1036 CA THR A 62 -42.589 -9.392 7.588 1.00 31.24 C ATOM 1037 C THR A 62 -42.787 -7.982 8.135 1.00 22.54 C ATOM 1038 O THR A 62 -41.995 -7.506 8.948 1.00 60.23 O ATOM 1039 CB THR A 62 -43.522 -10.358 8.341 1.00 13.42 C ATOM 1040 OG1 THR A 62 -42.909 -11.647 8.450 1.00 53.21 O ATOM 1041 CG2 THR A 62 -44.860 -10.485 7.627 1.00 22.21 C ATOM 0 HA THR A 62 -42.842 -9.406 6.528 1.00 31.24 H new ATOM 0 HB THR A 62 -43.697 -9.955 9.338 1.00 13.42 H new ATOM 0 HG1 THR A 62 -41.988 -11.545 8.770 1.00 53.21 H new ATOM 0 HG21 THR A 62 -45.502 -11.172 8.177 1.00 22.21 H new ATOM 0 HG22 THR A 62 -45.338 -9.507 7.573 1.00 22.21 H new ATOM 0 HG23 THR A 62 -44.700 -10.867 6.619 1.00 22.21 H new ATOM 1049 N GLU A 63 -43.847 -7.321 7.683 1.00 4.13 N ATOM 1050 CA GLU A 63 -44.147 -5.965 8.129 1.00 64.23 C ATOM 1051 C GLU A 63 -44.301 -5.912 9.647 1.00 62.44 C ATOM 1052 O GLU A 63 -43.775 -5.013 10.301 1.00 14.14 O ATOM 1053 CB GLU A 63 -45.425 -5.455 7.458 1.00 31.21 C ATOM 1054 CG GLU A 63 -45.195 -4.880 6.070 1.00 74.21 C ATOM 1055 CD GLU A 63 -46.488 -4.667 5.307 1.00 71.23 C ATOM 1056 OE1 GLU A 63 -47.475 -4.215 5.926 1.00 34.45 O ATOM 1057 OE2 GLU A 63 -46.514 -4.950 4.091 1.00 53.25 O ATOM 0 H GLU A 63 -44.512 -7.701 7.009 1.00 4.13 H new ATOM 0 HA GLU A 63 -43.313 -5.323 7.843 1.00 64.23 H new ATOM 0 HB2 GLU A 63 -46.141 -6.274 7.389 1.00 31.21 H new ATOM 0 HB3 GLU A 63 -45.876 -4.689 8.089 1.00 31.21 H new ATOM 0 HG2 GLU A 63 -44.668 -3.930 6.157 1.00 74.21 H new ATOM 0 HG3 GLU A 63 -44.550 -5.552 5.504 1.00 74.21 H new ATOM 1064 N GLU A 64 -45.025 -6.882 10.196 1.00 65.02 N ATOM 1065 CA GLU A 64 -45.248 -6.944 11.636 1.00 32.10 C ATOM 1066 C GLU A 64 -43.996 -7.430 12.360 1.00 44.41 C ATOM 1067 O GLU A 64 -43.732 -7.034 13.495 1.00 23.41 O ATOM 1068 CB GLU A 64 -46.425 -7.871 11.952 1.00 45.34 C ATOM 1069 CG GLU A 64 -47.769 -7.163 11.972 1.00 5.50 C ATOM 1070 CD GLU A 64 -48.864 -8.008 12.590 1.00 14.20 C ATOM 1071 OE1 GLU A 64 -49.513 -8.773 11.847 1.00 33.44 O ATOM 1072 OE2 GLU A 64 -49.074 -7.905 13.817 1.00 44.41 O ATOM 0 H GLU A 64 -45.466 -7.634 9.667 1.00 65.02 H new ATOM 0 HA GLU A 64 -45.482 -5.938 11.986 1.00 32.10 H new ATOM 0 HB2 GLU A 64 -46.456 -8.670 11.212 1.00 45.34 H new ATOM 0 HB3 GLU A 64 -46.257 -8.341 12.921 1.00 45.34 H new ATOM 0 HG2 GLU A 64 -47.676 -6.231 12.530 1.00 5.50 H new ATOM 0 HG3 GLU A 64 -48.051 -6.898 10.953 1.00 5.50 H new ATOM 1079 N GLU A 65 -43.230 -8.288 11.695 1.00 32.34 N ATOM 1080 CA GLU A 65 -42.007 -8.829 12.276 1.00 23.24 C ATOM 1081 C GLU A 65 -40.970 -7.729 12.481 1.00 52.31 C ATOM 1082 O GLU A 65 -40.473 -7.527 13.590 1.00 5.12 O ATOM 1083 CB GLU A 65 -41.431 -9.927 11.379 1.00 60.21 C ATOM 1084 CG GLU A 65 -42.185 -11.243 11.468 1.00 63.14 C ATOM 1085 CD GLU A 65 -41.292 -12.444 11.228 1.00 21.45 C ATOM 1086 OE1 GLU A 65 -40.694 -12.944 12.205 1.00 54.33 O ATOM 1087 OE2 GLU A 65 -41.190 -12.885 10.064 1.00 2.15 O ATOM 0 H GLU A 65 -43.434 -8.624 10.754 1.00 32.34 H new ATOM 0 HA GLU A 65 -42.255 -9.257 13.247 1.00 23.24 H new ATOM 0 HB2 GLU A 65 -41.440 -9.582 10.345 1.00 60.21 H new ATOM 0 HB3 GLU A 65 -40.389 -10.096 11.650 1.00 60.21 H new ATOM 0 HG2 GLU A 65 -42.645 -11.328 12.452 1.00 63.14 H new ATOM 0 HG3 GLU A 65 -42.994 -11.244 10.737 1.00 63.14 H new ATOM 1094 N LEU A 66 -40.647 -7.019 11.406 1.00 74.05 N ATOM 1095 CA LEU A 66 -39.670 -5.939 11.465 1.00 23.25 C ATOM 1096 C LEU A 66 -40.044 -4.925 12.541 1.00 31.34 C ATOM 1097 O LEU A 66 -39.175 -4.296 13.145 1.00 23.12 O ATOM 1098 CB LEU A 66 -39.564 -5.243 10.107 1.00 74.32 C ATOM 1099 CG LEU A 66 -40.641 -4.201 9.802 1.00 33.40 C ATOM 1100 CD1 LEU A 66 -40.197 -2.823 10.267 1.00 64.45 C ATOM 1101 CD2 LEU A 66 -40.963 -4.187 8.315 1.00 61.42 C ATOM 0 H LEU A 66 -41.049 -7.173 10.481 1.00 74.05 H new ATOM 0 HA LEU A 66 -38.703 -6.372 11.720 1.00 23.25 H new ATOM 0 HB2 LEU A 66 -38.590 -4.758 10.044 1.00 74.32 H new ATOM 0 HB3 LEU A 66 -39.592 -6.004 9.328 1.00 74.32 H new ATOM 0 HG LEU A 66 -41.546 -4.471 10.346 1.00 33.40 H new ATOM 0 HD11 LEU A 66 -40.976 -2.095 10.042 1.00 64.45 H new ATOM 0 HD12 LEU A 66 -40.018 -2.842 11.342 1.00 64.45 H new ATOM 0 HD13 LEU A 66 -39.278 -2.543 9.751 1.00 64.45 H new ATOM 0 HD21 LEU A 66 -41.731 -3.440 8.116 1.00 61.42 H new ATOM 0 HD22 LEU A 66 -40.064 -3.942 7.750 1.00 61.42 H new ATOM 0 HD23 LEU A 66 -41.325 -5.169 8.012 1.00 61.42 H new ATOM 1113 N ALA A 67 -41.343 -4.773 12.778 1.00 11.21 N ATOM 1114 CA ALA A 67 -41.832 -3.839 13.784 1.00 1.32 C ATOM 1115 C ALA A 67 -41.726 -4.434 15.184 1.00 53.00 C ATOM 1116 O ALA A 67 -41.617 -3.709 16.173 1.00 13.14 O ATOM 1117 CB ALA A 67 -43.271 -3.445 13.484 1.00 30.34 C ATOM 0 H ALA A 67 -42.076 -5.285 12.287 1.00 11.21 H new ATOM 0 HA ALA A 67 -41.207 -2.946 13.749 1.00 1.32 H new ATOM 0 HB1 ALA A 67 -43.623 -2.747 14.244 1.00 30.34 H new ATOM 0 HB2 ALA A 67 -43.322 -2.971 12.504 1.00 30.34 H new ATOM 0 HB3 ALA A 67 -43.901 -4.335 13.489 1.00 30.34 H new ATOM 1123 N THR A 68 -41.759 -5.761 15.262 1.00 64.31 N ATOM 1124 CA THR A 68 -41.668 -6.454 16.541 1.00 31.51 C ATOM 1125 C THR A 68 -40.216 -6.616 16.977 1.00 14.32 C ATOM 1126 O THR A 68 -39.898 -6.500 18.161 1.00 53.04 O ATOM 1127 CB THR A 68 -42.330 -7.844 16.475 1.00 75.42 C ATOM 1128 OG1 THR A 68 -43.686 -7.720 16.030 1.00 11.14 O ATOM 1129 CG2 THR A 68 -42.297 -8.524 17.834 1.00 31.55 C ATOM 0 H THR A 68 -41.848 -6.377 14.454 1.00 64.31 H new ATOM 0 HA THR A 68 -42.197 -5.841 17.271 1.00 31.51 H new ATOM 0 HB THR A 68 -41.770 -8.456 15.767 1.00 75.42 H new ATOM 0 HG1 THR A 68 -43.720 -7.813 15.055 1.00 11.14 H new ATOM 0 HG21 THR A 68 -42.770 -9.503 17.762 1.00 31.55 H new ATOM 0 HG22 THR A 68 -41.263 -8.643 18.156 1.00 31.55 H new ATOM 0 HG23 THR A 68 -42.835 -7.914 18.559 1.00 31.55 H new ATOM 1137 N ILE A 69 -39.340 -6.884 16.014 1.00 11.43 N ATOM 1138 CA ILE A 69 -37.921 -7.059 16.301 1.00 52.53 C ATOM 1139 C ILE A 69 -37.301 -5.765 16.816 1.00 45.24 C ATOM 1140 O ILE A 69 -36.449 -5.784 17.704 1.00 14.04 O ATOM 1141 CB ILE A 69 -37.150 -7.524 15.052 1.00 30.42 C ATOM 1142 CG1 ILE A 69 -35.665 -7.696 15.379 1.00 1.32 C ATOM 1143 CG2 ILE A 69 -37.335 -6.532 13.914 1.00 14.02 C ATOM 1144 CD1 ILE A 69 -34.966 -8.710 14.501 1.00 73.12 C ATOM 0 H ILE A 69 -39.587 -6.985 15.030 1.00 11.43 H new ATOM 0 HA ILE A 69 -37.846 -7.826 17.072 1.00 52.53 H new ATOM 0 HB ILE A 69 -37.548 -8.488 14.735 1.00 30.42 H new ATOM 0 HG12 ILE A 69 -35.165 -6.733 15.277 1.00 1.32 H new ATOM 0 HG13 ILE A 69 -35.564 -7.999 16.421 1.00 1.32 H new ATOM 0 HG21 ILE A 69 -36.784 -6.875 13.039 1.00 14.02 H new ATOM 0 HG22 ILE A 69 -38.394 -6.454 13.668 1.00 14.02 H new ATOM 0 HG23 ILE A 69 -36.960 -5.555 14.219 1.00 14.02 H new ATOM 0 HD11 ILE A 69 -33.917 -8.779 14.789 1.00 73.12 H new ATOM 0 HD12 ILE A 69 -35.441 -9.684 14.621 1.00 73.12 H new ATOM 0 HD13 ILE A 69 -35.036 -8.398 13.459 1.00 73.12 H new ATOM 1156 N ARG A 70 -37.735 -4.642 16.253 1.00 53.11 N ATOM 1157 CA ARG A 70 -37.223 -3.338 16.656 1.00 25.42 C ATOM 1158 C ARG A 70 -37.416 -3.116 18.153 1.00 31.04 C ATOM 1159 O ARG A 70 -36.704 -2.324 18.769 1.00 12.31 O ATOM 1160 CB ARG A 70 -37.921 -2.226 15.871 1.00 63.41 C ATOM 1161 CG ARG A 70 -39.333 -1.937 16.351 1.00 13.30 C ATOM 1162 CD ARG A 70 -39.388 -0.668 17.187 1.00 41.34 C ATOM 1163 NE ARG A 70 -40.074 0.418 16.490 1.00 73.33 N ATOM 1164 CZ ARG A 70 -39.930 1.700 16.805 1.00 15.42 C ATOM 1165 NH1 ARG A 70 -39.129 2.056 17.800 1.00 52.42 N ATOM 1166 NH2 ARG A 70 -40.588 2.629 16.124 1.00 11.22 N ATOM 0 H ARG A 70 -38.440 -4.609 15.517 1.00 53.11 H new ATOM 0 HA ARG A 70 -36.156 -3.313 16.437 1.00 25.42 H new ATOM 0 HB2 ARG A 70 -37.328 -1.314 15.943 1.00 63.41 H new ATOM 0 HB3 ARG A 70 -37.954 -2.502 14.817 1.00 63.41 H new ATOM 0 HG2 ARG A 70 -39.997 -1.838 15.492 1.00 13.30 H new ATOM 0 HG3 ARG A 70 -39.698 -2.778 16.940 1.00 13.30 H new ATOM 0 HD2 ARG A 70 -39.899 -0.875 18.127 1.00 41.34 H new ATOM 0 HD3 ARG A 70 -38.374 -0.355 17.438 1.00 41.34 H new ATOM 0 HE ARG A 70 -40.698 0.178 15.719 1.00 73.33 H new ATOM 0 HH11 ARG A 70 -38.621 1.344 18.326 1.00 52.42 H new ATOM 0 HH12 ARG A 70 -39.020 3.041 18.040 1.00 52.42 H new ATOM 0 HH21 ARG A 70 -41.205 2.359 15.358 1.00 11.22 H new ATOM 0 HH22 ARG A 70 -40.477 3.614 16.366 1.00 11.22 H new ATOM 1180 N GLU A 71 -38.383 -3.823 18.730 1.00 44.52 N ATOM 1181 CA GLU A 71 -38.671 -3.701 20.155 1.00 64.44 C ATOM 1182 C GLU A 71 -37.409 -3.923 20.986 1.00 64.35 C ATOM 1183 O GLU A 71 -37.252 -3.348 22.063 1.00 55.20 O ATOM 1184 CB GLU A 71 -39.749 -4.704 20.568 1.00 63.54 C ATOM 1185 CG GLU A 71 -40.161 -4.589 22.026 1.00 73.41 C ATOM 1186 CD GLU A 71 -41.596 -5.020 22.262 1.00 40.45 C ATOM 1187 OE1 GLU A 71 -42.508 -4.367 21.711 1.00 54.42 O ATOM 1188 OE2 GLU A 71 -41.807 -6.006 22.996 1.00 31.43 O ATOM 0 H GLU A 71 -38.979 -4.485 18.234 1.00 44.52 H new ATOM 0 HA GLU A 71 -39.035 -2.691 20.341 1.00 64.44 H new ATOM 0 HB2 GLU A 71 -40.627 -4.560 19.939 1.00 63.54 H new ATOM 0 HB3 GLU A 71 -39.384 -5.714 20.381 1.00 63.54 H new ATOM 0 HG2 GLU A 71 -39.497 -5.200 22.637 1.00 73.41 H new ATOM 0 HG3 GLU A 71 -40.037 -3.557 22.355 1.00 73.41 H new ATOM 1195 N LEU A 72 -36.513 -4.761 20.476 1.00 52.03 N ATOM 1196 CA LEU A 72 -35.266 -5.061 21.169 1.00 25.41 C ATOM 1197 C LEU A 72 -34.519 -3.779 21.525 1.00 12.41 C ATOM 1198 O LEU A 72 -33.685 -3.767 22.431 1.00 3.44 O ATOM 1199 CB LEU A 72 -34.379 -5.956 20.302 1.00 63.15 C ATOM 1200 CG LEU A 72 -33.423 -5.234 19.351 1.00 62.52 C ATOM 1201 CD1 LEU A 72 -34.173 -4.208 18.516 1.00 50.11 C ATOM 1202 CD2 LEU A 72 -32.296 -4.571 20.128 1.00 15.44 C ATOM 0 H LEU A 72 -36.627 -5.244 19.585 1.00 52.03 H new ATOM 0 HA LEU A 72 -35.510 -5.587 22.092 1.00 25.41 H new ATOM 0 HB2 LEU A 72 -33.791 -6.597 20.959 1.00 63.15 H new ATOM 0 HB3 LEU A 72 -35.022 -6.609 19.712 1.00 63.15 H new ATOM 0 HG LEU A 72 -32.987 -5.972 18.677 1.00 62.52 H new ATOM 0 HD11 LEU A 72 -33.476 -3.705 17.846 1.00 50.11 H new ATOM 0 HD12 LEU A 72 -34.943 -4.709 17.929 1.00 50.11 H new ATOM 0 HD13 LEU A 72 -34.638 -3.474 19.174 1.00 50.11 H new ATOM 0 HD21 LEU A 72 -31.626 -4.062 19.435 1.00 15.44 H new ATOM 0 HD22 LEU A 72 -32.713 -3.846 20.827 1.00 15.44 H new ATOM 0 HD23 LEU A 72 -31.740 -5.329 20.680 1.00 15.44 H new ATOM 1214 N TYR A 73 -34.826 -2.703 20.810 1.00 32.00 N ATOM 1215 CA TYR A 73 -34.184 -1.416 21.050 1.00 33.25 C ATOM 1216 C TYR A 73 -34.782 -0.731 22.275 1.00 4.13 C ATOM 1217 O TYR A 73 -34.064 -0.137 23.082 1.00 65.44 O ATOM 1218 CB TYR A 73 -34.330 -0.513 19.824 1.00 33.44 C ATOM 1219 CG TYR A 73 -33.019 0.065 19.340 1.00 73.34 C ATOM 1220 CD1 TYR A 73 -32.092 0.583 20.235 1.00 43.41 C ATOM 1221 CD2 TYR A 73 -32.707 0.091 17.986 1.00 35.11 C ATOM 1222 CE1 TYR A 73 -30.894 1.114 19.796 1.00 31.24 C ATOM 1223 CE2 TYR A 73 -31.511 0.617 17.538 1.00 10.31 C ATOM 1224 CZ TYR A 73 -30.608 1.128 18.447 1.00 0.12 C ATOM 1225 OH TYR A 73 -29.415 1.653 18.006 1.00 73.14 O ATOM 0 H TYR A 73 -35.516 -2.696 20.059 1.00 32.00 H new ATOM 0 HA TYR A 73 -33.125 -1.595 21.236 1.00 33.25 H new ATOM 0 HB2 TYR A 73 -34.787 -1.083 19.015 1.00 33.44 H new ATOM 0 HB3 TYR A 73 -35.011 0.303 20.063 1.00 33.44 H new ATOM 0 HD1 TYR A 73 -32.311 0.571 21.292 1.00 43.41 H new ATOM 0 HD2 TYR A 73 -33.412 -0.307 17.271 1.00 35.11 H new ATOM 0 HE1 TYR A 73 -30.186 1.516 20.505 1.00 31.24 H new ATOM 0 HE2 TYR A 73 -31.284 0.628 16.482 1.00 10.31 H new ATOM 0 HH TYR A 73 -29.369 1.586 17.029 1.00 73.14 H new ATOM 1235 N LEU A 74 -36.101 -0.816 22.409 1.00 64.35 N ATOM 1236 CA LEU A 74 -36.797 -0.205 23.535 1.00 50.02 C ATOM 1237 C LEU A 74 -36.563 -0.999 24.815 1.00 15.41 C ATOM 1238 O LEU A 74 -36.288 -0.429 25.871 1.00 22.01 O ATOM 1239 CB LEU A 74 -38.296 -0.114 23.244 1.00 54.31 C ATOM 1240 CG LEU A 74 -38.699 0.779 22.069 1.00 53.11 C ATOM 1241 CD1 LEU A 74 -38.889 -0.051 20.809 1.00 74.32 C ATOM 1242 CD2 LEU A 74 -39.969 1.551 22.397 1.00 30.11 C ATOM 0 H LEU A 74 -36.710 -1.303 21.751 1.00 64.35 H new ATOM 0 HA LEU A 74 -36.399 0.800 23.675 1.00 50.02 H new ATOM 0 HB2 LEU A 74 -38.671 -1.120 23.055 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -38.798 0.250 24.140 1.00 54.31 H new ATOM 0 HG LEU A 74 -37.897 1.496 21.890 1.00 53.11 H new ATOM 0 HD11 LEU A 74 -39.175 0.601 19.984 1.00 74.32 H new ATOM 0 HD12 LEU A 74 -37.956 -0.559 20.564 1.00 74.32 H new ATOM 0 HD13 LEU A 74 -39.672 -0.791 20.975 1.00 74.32 H new ATOM 0 HD21 LEU A 74 -40.241 2.181 21.550 1.00 30.11 H new ATOM 0 HD22 LEU A 74 -40.778 0.850 22.602 1.00 30.11 H new ATOM 0 HD23 LEU A 74 -39.799 2.176 23.274 1.00 30.11 H new ATOM 1254 N LYS A 75 -36.674 -2.319 24.715 1.00 25.12 N ATOM 1255 CA LYS A 75 -36.471 -3.194 25.864 1.00 44.20 C ATOM 1256 C LYS A 75 -34.984 -3.436 26.108 1.00 72.13 C ATOM 1257 O LYS A 75 -34.580 -3.822 27.204 1.00 44.41 O ATOM 1258 CB LYS A 75 -37.187 -4.529 25.647 1.00 24.14 C ATOM 1259 CG LYS A 75 -38.688 -4.391 25.465 1.00 34.11 C ATOM 1260 CD LYS A 75 -39.336 -3.713 26.661 1.00 21.32 C ATOM 1261 CE LYS A 75 -39.130 -4.518 27.936 1.00 21.32 C ATOM 1262 NZ LYS A 75 -40.192 -4.244 28.942 1.00 52.41 N ATOM 0 H LYS A 75 -36.904 -2.807 23.849 1.00 25.12 H new ATOM 0 HA LYS A 75 -36.890 -2.702 26.742 1.00 44.20 H new ATOM 0 HB2 LYS A 75 -36.766 -5.019 24.769 1.00 24.14 H new ATOM 0 HB3 LYS A 75 -36.991 -5.180 26.499 1.00 24.14 H new ATOM 0 HG2 LYS A 75 -38.894 -3.815 24.563 1.00 34.11 H new ATOM 0 HG3 LYS A 75 -39.130 -5.377 25.321 1.00 34.11 H new ATOM 0 HD2 LYS A 75 -38.916 -2.715 26.787 1.00 21.32 H new ATOM 0 HD3 LYS A 75 -40.403 -3.588 26.476 1.00 21.32 H new ATOM 0 HE2 LYS A 75 -39.122 -5.581 27.697 1.00 21.32 H new ATOM 0 HE3 LYS A 75 -38.156 -4.280 28.362 1.00 21.32 H new ATOM 0 HZ1 LYS A 75 -40.016 -4.811 29.796 1.00 52.41 H new ATOM 0 HZ2 LYS A 75 -40.183 -3.234 29.190 1.00 52.41 H new ATOM 0 HZ3 LYS A 75 -41.120 -4.495 28.545 1.00 52.41 H new ATOM 1276 N GLY A 76 -34.175 -3.205 25.079 1.00 43.31 N ATOM 1277 CA GLY A 76 -32.742 -3.403 25.202 1.00 10.52 C ATOM 1278 C GLY A 76 -32.344 -4.860 25.078 1.00 52.24 C ATOM 1279 O GLY A 76 -31.227 -5.237 25.429 1.00 53.13 O ATOM 0 H GLY A 76 -34.486 -2.884 24.162 1.00 43.31 H new ATOM 0 HA2 GLY A 76 -32.231 -2.824 24.433 1.00 10.52 H new ATOM 0 HA3 GLY A 76 -32.407 -3.019 26.166 1.00 10.52 H new ATOM 1283 N ALA A 77 -33.262 -5.681 24.578 1.00 11.31 N ATOM 1284 CA ALA A 77 -33.002 -7.105 24.407 1.00 2.54 C ATOM 1285 C ALA A 77 -31.868 -7.341 23.415 1.00 44.13 C ATOM 1286 O ALA A 77 -31.397 -6.409 22.761 1.00 52.24 O ATOM 1287 CB ALA A 77 -34.263 -7.822 23.952 1.00 42.13 C ATOM 0 H ALA A 77 -34.193 -5.384 24.284 1.00 11.31 H new ATOM 0 HA ALA A 77 -32.696 -7.511 25.371 1.00 2.54 H new ATOM 0 HB1 ALA A 77 -34.053 -8.884 23.829 1.00 42.13 H new ATOM 0 HB2 ALA A 77 -35.046 -7.691 24.699 1.00 42.13 H new ATOM 0 HB3 ALA A 77 -34.596 -7.405 23.001 1.00 42.13 H new ATOM 1293 N THR A 78 -31.434 -8.593 23.306 1.00 2.22 N ATOM 1294 CA THR A 78 -30.354 -8.950 22.394 1.00 10.32 C ATOM 1295 C THR A 78 -30.850 -9.882 21.294 1.00 13.20 C ATOM 1296 O THR A 78 -32.019 -10.268 21.273 1.00 32.23 O ATOM 1297 CB THR A 78 -29.190 -9.629 23.140 1.00 71.11 C ATOM 1298 OG1 THR A 78 -29.607 -10.904 23.643 1.00 41.04 O ATOM 1299 CG2 THR A 78 -28.704 -8.760 24.290 1.00 4.32 C ATOM 0 H THR A 78 -31.814 -9.376 23.838 1.00 2.22 H new ATOM 0 HA THR A 78 -29.997 -8.022 21.947 1.00 10.32 H new ATOM 0 HB THR A 78 -28.369 -9.767 22.437 1.00 71.11 H new ATOM 0 HG1 THR A 78 -28.861 -11.330 24.114 1.00 41.04 H new ATOM 0 HG21 THR A 78 -27.882 -9.260 24.802 1.00 4.32 H new ATOM 0 HG22 THR A 78 -28.360 -7.801 23.902 1.00 4.32 H new ATOM 0 HG23 THR A 78 -29.521 -8.595 24.992 1.00 4.32 H new ATOM 1307 N VAL A 79 -29.954 -10.240 20.381 1.00 64.34 N ATOM 1308 CA VAL A 79 -30.301 -11.129 19.277 1.00 23.30 C ATOM 1309 C VAL A 79 -30.903 -12.432 19.789 1.00 33.14 C ATOM 1310 O VAL A 79 -31.738 -13.046 19.125 1.00 12.31 O ATOM 1311 CB VAL A 79 -29.070 -11.451 18.408 1.00 35.31 C ATOM 1312 CG1 VAL A 79 -29.468 -12.307 17.215 1.00 3.25 C ATOM 1313 CG2 VAL A 79 -28.390 -10.169 17.953 1.00 63.41 C ATOM 0 H VAL A 79 -28.983 -9.929 20.383 1.00 64.34 H new ATOM 0 HA VAL A 79 -31.039 -10.606 18.669 1.00 23.30 H new ATOM 0 HB VAL A 79 -28.359 -12.018 19.010 1.00 35.31 H new ATOM 0 HG11 VAL A 79 -28.586 -12.524 16.613 1.00 3.25 H new ATOM 0 HG12 VAL A 79 -29.906 -13.241 17.567 1.00 3.25 H new ATOM 0 HG13 VAL A 79 -30.198 -11.770 16.609 1.00 3.25 H new ATOM 0 HG21 VAL A 79 -27.523 -10.415 17.340 1.00 63.41 H new ATOM 0 HG22 VAL A 79 -29.091 -9.573 17.368 1.00 63.41 H new ATOM 0 HG23 VAL A 79 -28.069 -9.599 18.824 1.00 63.41 H new ATOM 1323 N TYR A 80 -30.473 -12.849 20.976 1.00 52.11 N ATOM 1324 CA TYR A 80 -30.968 -14.082 21.577 1.00 14.50 C ATOM 1325 C TYR A 80 -32.399 -13.906 22.080 1.00 64.54 C ATOM 1326 O TYR A 80 -33.156 -14.871 22.179 1.00 63.34 O ATOM 1327 CB TYR A 80 -30.060 -14.512 22.731 1.00 51.34 C ATOM 1328 CG TYR A 80 -30.323 -15.919 23.216 1.00 62.43 C ATOM 1329 CD1 TYR A 80 -29.808 -17.017 22.535 1.00 5.41 C ATOM 1330 CD2 TYR A 80 -31.087 -16.154 24.352 1.00 45.14 C ATOM 1331 CE1 TYR A 80 -30.045 -18.305 22.974 1.00 63.12 C ATOM 1332 CE2 TYR A 80 -31.328 -17.438 24.799 1.00 61.42 C ATOM 1333 CZ TYR A 80 -30.805 -18.510 24.106 1.00 53.02 C ATOM 1334 OH TYR A 80 -31.045 -19.792 24.547 1.00 21.11 O ATOM 0 H TYR A 80 -29.784 -12.352 21.540 1.00 52.11 H new ATOM 0 HA TYR A 80 -30.963 -14.857 20.811 1.00 14.50 H new ATOM 0 HB2 TYR A 80 -29.020 -14.435 22.412 1.00 51.34 H new ATOM 0 HB3 TYR A 80 -30.191 -13.820 23.563 1.00 51.34 H new ATOM 0 HD1 TYR A 80 -29.213 -16.860 21.648 1.00 5.41 H new ATOM 0 HD2 TYR A 80 -31.500 -15.317 24.896 1.00 45.14 H new ATOM 0 HE1 TYR A 80 -29.637 -19.147 22.434 1.00 63.12 H new ATOM 0 HE2 TYR A 80 -31.922 -17.602 25.686 1.00 61.42 H new ATOM 0 HH TYR A 80 -31.596 -19.762 25.357 1.00 21.11 H new ATOM 1344 N GLU A 81 -32.761 -12.666 22.395 1.00 24.40 N ATOM 1345 CA GLU A 81 -34.100 -12.363 22.888 1.00 25.41 C ATOM 1346 C GLU A 81 -35.115 -12.385 21.750 1.00 71.44 C ATOM 1347 O GLU A 81 -36.134 -13.072 21.826 1.00 55.42 O ATOM 1348 CB GLU A 81 -34.116 -10.997 23.575 1.00 52.42 C ATOM 1349 CG GLU A 81 -33.476 -11.000 24.953 1.00 25.40 C ATOM 1350 CD GLU A 81 -34.442 -11.414 26.045 1.00 12.34 C ATOM 1351 OE1 GLU A 81 -35.281 -12.303 25.790 1.00 13.42 O ATOM 1352 OE2 GLU A 81 -34.358 -10.850 27.156 1.00 10.43 O ATOM 0 H GLU A 81 -32.146 -11.856 22.318 1.00 24.40 H new ATOM 0 HA GLU A 81 -34.376 -13.129 23.613 1.00 25.41 H new ATOM 0 HB2 GLU A 81 -33.596 -10.276 22.944 1.00 52.42 H new ATOM 0 HB3 GLU A 81 -35.148 -10.657 23.664 1.00 52.42 H new ATOM 0 HG2 GLU A 81 -32.623 -11.679 24.952 1.00 25.40 H new ATOM 0 HG3 GLU A 81 -33.091 -10.004 25.173 1.00 25.40 H new ATOM 1359 N ILE A 82 -34.829 -11.629 20.695 1.00 50.53 N ATOM 1360 CA ILE A 82 -35.717 -11.561 19.541 1.00 51.14 C ATOM 1361 C ILE A 82 -36.017 -12.953 18.996 1.00 64.34 C ATOM 1362 O ILE A 82 -37.114 -13.214 18.502 1.00 33.41 O ATOM 1363 CB ILE A 82 -35.113 -10.700 18.415 1.00 55.14 C ATOM 1364 CG1 ILE A 82 -33.683 -11.150 18.112 1.00 44.53 C ATOM 1365 CG2 ILE A 82 -35.142 -9.228 18.801 1.00 32.22 C ATOM 1366 CD1 ILE A 82 -33.049 -10.407 16.956 1.00 31.15 C ATOM 0 H ILE A 82 -33.989 -11.055 20.616 1.00 50.53 H new ATOM 0 HA ILE A 82 -36.643 -11.099 19.883 1.00 51.14 H new ATOM 0 HB ILE A 82 -35.713 -10.831 17.514 1.00 55.14 H new ATOM 0 HG12 ILE A 82 -33.070 -11.011 19.003 1.00 44.53 H new ATOM 0 HG13 ILE A 82 -33.686 -12.217 17.890 1.00 44.53 H new ATOM 0 HG21 ILE A 82 -34.712 -8.632 17.996 1.00 32.22 H new ATOM 0 HG22 ILE A 82 -36.173 -8.917 18.972 1.00 32.22 H new ATOM 0 HG23 ILE A 82 -34.562 -9.079 19.712 1.00 32.22 H new ATOM 0 HD11 ILE A 82 -32.036 -10.777 16.797 1.00 31.15 H new ATOM 0 HD12 ILE A 82 -33.639 -10.566 16.054 1.00 31.15 H new ATOM 0 HD13 ILE A 82 -33.014 -9.342 17.183 1.00 31.15 H new ATOM 1378 N ALA A 83 -35.035 -13.844 19.091 1.00 50.35 N ATOM 1379 CA ALA A 83 -35.195 -15.211 18.611 1.00 71.33 C ATOM 1380 C ALA A 83 -36.296 -15.937 19.377 1.00 51.43 C ATOM 1381 O ALA A 83 -37.166 -16.571 18.780 1.00 44.14 O ATOM 1382 CB ALA A 83 -33.881 -15.968 18.728 1.00 22.15 C ATOM 0 H ALA A 83 -34.121 -13.643 19.496 1.00 50.35 H new ATOM 0 HA ALA A 83 -35.486 -15.170 17.561 1.00 71.33 H new ATOM 0 HB1 ALA A 83 -34.015 -16.987 18.366 1.00 22.15 H new ATOM 0 HB2 ALA A 83 -33.119 -15.468 18.131 1.00 22.15 H new ATOM 0 HB3 ALA A 83 -33.566 -15.992 19.771 1.00 22.15 H new ATOM 1388 N ARG A 84 -36.252 -15.839 20.701 1.00 34.20 N ATOM 1389 CA ARG A 84 -37.246 -16.488 21.548 1.00 1.14 C ATOM 1390 C ARG A 84 -38.585 -15.761 21.471 1.00 2.35 C ATOM 1391 O ARG A 84 -39.638 -16.389 21.368 1.00 20.25 O ATOM 1392 CB ARG A 84 -36.759 -16.533 22.999 1.00 73.35 C ATOM 1393 CG ARG A 84 -36.136 -17.862 23.391 1.00 54.23 C ATOM 1394 CD ARG A 84 -35.510 -17.797 24.775 1.00 10.50 C ATOM 1395 NE ARG A 84 -36.419 -18.279 25.811 1.00 34.33 N ATOM 1396 CZ ARG A 84 -36.162 -18.197 27.111 1.00 12.30 C ATOM 1397 NH1 ARG A 84 -35.029 -17.653 27.533 1.00 44.53 N ATOM 1398 NH2 ARG A 84 -37.039 -18.658 27.993 1.00 13.54 N ATOM 0 H ARG A 84 -35.539 -15.317 21.211 1.00 34.20 H new ATOM 0 HA ARG A 84 -37.385 -17.507 21.187 1.00 1.14 H new ATOM 0 HB2 ARG A 84 -36.028 -15.739 23.153 1.00 73.35 H new ATOM 0 HB3 ARG A 84 -37.599 -16.326 23.662 1.00 73.35 H new ATOM 0 HG2 ARG A 84 -36.897 -18.642 23.371 1.00 54.23 H new ATOM 0 HG3 ARG A 84 -35.377 -18.139 22.660 1.00 54.23 H new ATOM 0 HD2 ARG A 84 -34.597 -18.393 24.788 1.00 10.50 H new ATOM 0 HD3 ARG A 84 -35.223 -16.769 24.995 1.00 10.50 H new ATOM 0 HE ARG A 84 -37.300 -18.702 25.520 1.00 34.33 H new ATOM 0 HH11 ARG A 84 -34.352 -17.296 26.858 1.00 44.53 H new ATOM 0 HH12 ARG A 84 -34.834 -17.591 28.532 1.00 44.53 H new ATOM 0 HH21 ARG A 84 -37.912 -19.076 27.673 1.00 13.54 H new ATOM 0 HH22 ARG A 84 -36.840 -18.594 28.991 1.00 13.54 H new ATOM 1412 N GLN A 85 -38.535 -14.434 21.524 1.00 62.15 N ATOM 1413 CA GLN A 85 -39.744 -13.621 21.461 1.00 35.03 C ATOM 1414 C GLN A 85 -40.572 -13.971 20.229 1.00 2.25 C ATOM 1415 O GLN A 85 -41.749 -14.319 20.337 1.00 2.44 O ATOM 1416 CB GLN A 85 -39.385 -12.134 21.444 1.00 63.31 C ATOM 1417 CG GLN A 85 -40.590 -11.215 21.556 1.00 71.43 C ATOM 1418 CD GLN A 85 -40.504 -10.281 22.747 1.00 21.54 C ATOM 1419 OE1 GLN A 85 -41.169 -10.488 23.763 1.00 44.01 O ATOM 1420 NE2 GLN A 85 -39.680 -9.246 22.629 1.00 71.03 N ATOM 0 H GLN A 85 -37.671 -13.899 21.610 1.00 62.15 H new ATOM 0 HA GLN A 85 -40.340 -13.833 22.349 1.00 35.03 H new ATOM 0 HB2 GLN A 85 -38.701 -11.925 22.267 1.00 63.31 H new ATOM 0 HB3 GLN A 85 -38.851 -11.908 20.521 1.00 63.31 H new ATOM 0 HG2 GLN A 85 -40.679 -10.626 20.643 1.00 71.43 H new ATOM 0 HG3 GLN A 85 -41.495 -11.817 21.636 1.00 71.43 H new ATOM 0 HE21 GLN A 85 -39.148 -9.113 21.769 1.00 71.03 H new ATOM 0 HE22 GLN A 85 -39.579 -8.584 23.399 1.00 71.03 H new ATOM 1429 N LEU A 86 -39.950 -13.876 19.059 1.00 75.12 N ATOM 1430 CA LEU A 86 -40.630 -14.182 17.805 1.00 61.41 C ATOM 1431 C LEU A 86 -40.707 -15.689 17.581 1.00 72.31 C ATOM 1432 O LEU A 86 -41.509 -16.167 16.780 1.00 33.45 O ATOM 1433 CB LEU A 86 -39.905 -13.517 16.634 1.00 42.02 C ATOM 1434 CG LEU A 86 -40.423 -12.139 16.218 1.00 35.41 C ATOM 1435 CD1 LEU A 86 -41.883 -12.222 15.798 1.00 4.23 C ATOM 1436 CD2 LEU A 86 -40.248 -11.140 17.353 1.00 52.33 C ATOM 0 H LEU A 86 -38.977 -13.590 18.952 1.00 75.12 H new ATOM 0 HA LEU A 86 -41.645 -13.790 17.865 1.00 61.41 H new ATOM 0 HB2 LEU A 86 -38.850 -13.424 16.892 1.00 42.02 H new ATOM 0 HB3 LEU A 86 -39.965 -14.181 15.772 1.00 42.02 H new ATOM 0 HG LEU A 86 -39.840 -11.795 15.364 1.00 35.41 H new ATOM 0 HD11 LEU A 86 -42.234 -11.232 15.505 1.00 4.23 H new ATOM 0 HD12 LEU A 86 -41.981 -12.906 14.955 1.00 4.23 H new ATOM 0 HD13 LEU A 86 -42.481 -12.587 16.633 1.00 4.23 H new ATOM 0 HD21 LEU A 86 -40.622 -10.165 17.040 1.00 52.33 H new ATOM 0 HD22 LEU A 86 -40.806 -11.479 18.226 1.00 52.33 H new ATOM 0 HD23 LEU A 86 -39.191 -11.059 17.607 1.00 52.33 H new ATOM 1448 N GLY A 87 -39.867 -16.432 18.296 1.00 51.22 N ATOM 1449 CA GLY A 87 -39.857 -17.877 18.163 1.00 53.15 C ATOM 1450 C GLY A 87 -39.369 -18.330 16.801 1.00 70.03 C ATOM 1451 O GLY A 87 -39.946 -19.234 16.196 1.00 15.21 O ATOM 0 H GLY A 87 -39.193 -16.059 18.965 1.00 51.22 H new ATOM 0 HA2 GLY A 87 -39.218 -18.306 18.935 1.00 53.15 H new ATOM 0 HA3 GLY A 87 -40.863 -18.261 18.332 1.00 53.15 H new ATOM 1455 N ARG A 88 -38.304 -17.699 16.316 1.00 35.22 N ATOM 1456 CA ARG A 88 -37.740 -18.041 15.016 1.00 75.41 C ATOM 1457 C ARG A 88 -36.366 -18.684 15.172 1.00 65.23 C ATOM 1458 O ARG A 88 -35.672 -18.491 16.170 1.00 14.41 O ATOM 1459 CB ARG A 88 -37.636 -16.794 14.138 1.00 3.11 C ATOM 1460 CG ARG A 88 -38.978 -16.294 13.627 1.00 61.52 C ATOM 1461 CD ARG A 88 -39.627 -17.301 12.690 1.00 61.04 C ATOM 1462 NE ARG A 88 -40.884 -16.803 12.138 1.00 14.23 N ATOM 1463 CZ ARG A 88 -40.959 -15.818 11.251 1.00 71.45 C ATOM 1464 NH1 ARG A 88 -39.854 -15.228 10.816 1.00 52.34 N ATOM 1465 NH2 ARG A 88 -42.141 -15.422 10.796 1.00 5.34 N ATOM 0 H ARG A 88 -37.815 -16.949 16.804 1.00 35.22 H new ATOM 0 HA ARG A 88 -38.405 -18.759 14.537 1.00 75.41 H new ATOM 0 HB2 ARG A 88 -37.154 -15.999 14.707 1.00 3.11 H new ATOM 0 HB3 ARG A 88 -36.991 -17.012 13.287 1.00 3.11 H new ATOM 0 HG2 ARG A 88 -39.641 -16.100 14.471 1.00 61.52 H new ATOM 0 HG3 ARG A 88 -38.840 -15.347 13.106 1.00 61.52 H new ATOM 0 HD2 ARG A 88 -38.940 -17.534 11.876 1.00 61.04 H new ATOM 0 HD3 ARG A 88 -39.810 -18.231 13.228 1.00 61.04 H new ATOM 0 HE ARG A 88 -41.753 -17.236 12.451 1.00 14.23 H new ATOM 0 HH11 ARG A 88 -38.944 -15.531 11.163 1.00 52.34 H new ATOM 0 HH12 ARG A 88 -39.914 -14.471 10.134 1.00 52.34 H new ATOM 0 HH21 ARG A 88 -42.993 -15.874 11.128 1.00 5.34 H new ATOM 0 HH22 ARG A 88 -42.198 -14.665 10.115 1.00 5.34 H new ATOM 1479 N PRO A 89 -35.960 -19.466 14.161 1.00 61.33 N ATOM 1480 CA PRO A 89 -34.664 -20.153 14.161 1.00 14.13 C ATOM 1481 C PRO A 89 -33.495 -19.186 14.011 1.00 40.53 C ATOM 1482 O PRO A 89 -33.649 -18.094 13.466 1.00 40.01 O ATOM 1483 CB PRO A 89 -34.753 -21.079 12.945 1.00 42.32 C ATOM 1484 CG PRO A 89 -35.738 -20.423 12.041 1.00 42.32 C ATOM 1485 CD PRO A 89 -36.734 -19.741 12.939 1.00 73.31 C ATOM 0 HA PRO A 89 -34.480 -20.676 15.099 1.00 14.13 H new ATOM 0 HB2 PRO A 89 -33.783 -21.190 12.460 1.00 42.32 H new ATOM 0 HB3 PRO A 89 -35.082 -22.078 13.231 1.00 42.32 H new ATOM 0 HG2 PRO A 89 -35.247 -19.704 11.385 1.00 42.32 H new ATOM 0 HG3 PRO A 89 -36.228 -21.156 11.400 1.00 42.32 H new ATOM 0 HD2 PRO A 89 -37.117 -18.824 12.491 1.00 73.31 H new ATOM 0 HD3 PRO A 89 -37.594 -20.379 13.143 1.00 73.31 H new ATOM 1493 N GLU A 90 -32.328 -19.595 14.498 1.00 13.22 N ATOM 1494 CA GLU A 90 -31.133 -18.762 14.417 1.00 74.40 C ATOM 1495 C GLU A 90 -30.897 -18.289 12.987 1.00 41.43 C ATOM 1496 O GLU A 90 -30.345 -17.212 12.761 1.00 2.24 O ATOM 1497 CB GLU A 90 -29.911 -19.536 14.918 1.00 13.33 C ATOM 1498 CG GLU A 90 -29.755 -20.906 14.282 1.00 75.42 C ATOM 1499 CD GLU A 90 -28.581 -21.682 14.847 1.00 22.22 C ATOM 1500 OE1 GLU A 90 -28.566 -21.925 16.072 1.00 4.04 O ATOM 1501 OE2 GLU A 90 -27.678 -22.045 14.064 1.00 14.24 O ATOM 0 H GLU A 90 -32.184 -20.497 14.952 1.00 13.22 H new ATOM 0 HA GLU A 90 -31.286 -17.888 15.050 1.00 74.40 H new ATOM 0 HB2 GLU A 90 -29.014 -18.949 14.721 1.00 13.33 H new ATOM 0 HB3 GLU A 90 -29.984 -19.653 15.999 1.00 13.33 H new ATOM 0 HG2 GLU A 90 -30.670 -21.479 14.433 1.00 75.42 H new ATOM 0 HG3 GLU A 90 -29.625 -20.790 13.206 1.00 75.42 H new ATOM 1508 N SER A 91 -31.319 -19.100 12.022 1.00 10.32 N ATOM 1509 CA SER A 91 -31.149 -18.766 10.613 1.00 54.41 C ATOM 1510 C SER A 91 -31.975 -17.538 10.242 1.00 0.34 C ATOM 1511 O SER A 91 -31.472 -16.598 9.626 1.00 23.12 O ATOM 1512 CB SER A 91 -31.555 -19.951 9.735 1.00 65.33 C ATOM 1513 OG SER A 91 -30.440 -20.468 9.028 1.00 1.21 O ATOM 0 H SER A 91 -31.781 -19.993 12.191 1.00 10.32 H new ATOM 0 HA SER A 91 -30.096 -18.539 10.443 1.00 54.41 H new ATOM 0 HB2 SER A 91 -31.991 -20.734 10.355 1.00 65.33 H new ATOM 0 HB3 SER A 91 -32.324 -19.638 9.029 1.00 65.33 H new ATOM 0 HG SER A 91 -30.725 -21.225 8.476 1.00 1.21 H new ATOM 1519 N THR A 92 -33.249 -17.551 10.624 1.00 2.53 N ATOM 1520 CA THR A 92 -34.146 -16.440 10.333 1.00 63.30 C ATOM 1521 C THR A 92 -33.606 -15.133 10.901 1.00 4.04 C ATOM 1522 O THR A 92 -33.510 -14.130 10.194 1.00 61.42 O ATOM 1523 CB THR A 92 -35.554 -16.691 10.902 1.00 14.02 C ATOM 1524 OG1 THR A 92 -36.114 -17.875 10.323 1.00 63.15 O ATOM 1525 CG2 THR A 92 -36.468 -15.506 10.629 1.00 41.23 C ATOM 0 H THR A 92 -33.682 -18.320 11.136 1.00 2.53 H new ATOM 0 HA THR A 92 -34.210 -16.362 9.248 1.00 63.30 H new ATOM 0 HB THR A 92 -35.467 -16.821 11.981 1.00 14.02 H new ATOM 0 HG1 THR A 92 -37.088 -17.862 10.429 1.00 63.15 H new ATOM 0 HG21 THR A 92 -37.457 -15.707 11.040 1.00 41.23 H new ATOM 0 HG22 THR A 92 -36.055 -14.612 11.097 1.00 41.23 H new ATOM 0 HG23 THR A 92 -36.548 -15.348 9.553 1.00 41.23 H new ATOM 1533 N ILE A 93 -33.252 -15.151 12.182 1.00 54.20 N ATOM 1534 CA ILE A 93 -32.720 -13.967 12.845 1.00 62.32 C ATOM 1535 C ILE A 93 -31.406 -13.525 12.208 1.00 32.31 C ATOM 1536 O ILE A 93 -31.226 -12.352 11.883 1.00 51.02 O ATOM 1537 CB ILE A 93 -32.491 -14.217 14.347 1.00 72.54 C ATOM 1538 CG1 ILE A 93 -33.802 -14.625 15.024 1.00 43.33 C ATOM 1539 CG2 ILE A 93 -31.911 -12.976 15.008 1.00 14.12 C ATOM 1540 CD1 ILE A 93 -34.856 -13.540 15.002 1.00 0.55 C ATOM 0 H ILE A 93 -33.324 -15.973 12.781 1.00 54.20 H new ATOM 0 HA ILE A 93 -33.463 -13.178 12.726 1.00 62.32 H new ATOM 0 HB ILE A 93 -31.776 -15.032 14.460 1.00 72.54 H new ATOM 0 HG12 ILE A 93 -34.196 -15.513 14.530 1.00 43.33 H new ATOM 0 HG13 ILE A 93 -33.597 -14.900 16.059 1.00 43.33 H new ATOM 0 HG21 ILE A 93 -31.755 -13.168 16.069 1.00 14.12 H new ATOM 0 HG22 ILE A 93 -30.959 -12.726 14.540 1.00 14.12 H new ATOM 0 HG23 ILE A 93 -32.603 -12.143 14.888 1.00 14.12 H new ATOM 0 HD11 ILE A 93 -35.758 -13.898 15.499 1.00 0.55 H new ATOM 0 HD12 ILE A 93 -34.481 -12.658 15.522 1.00 0.55 H new ATOM 0 HD13 ILE A 93 -35.090 -13.280 13.969 1.00 0.55 H new ATOM 1552 N TYR A 94 -30.493 -14.474 12.032 1.00 10.31 N ATOM 1553 CA TYR A 94 -29.194 -14.183 11.436 1.00 41.23 C ATOM 1554 C TYR A 94 -29.359 -13.532 10.065 1.00 35.24 C ATOM 1555 O TYR A 94 -28.620 -12.614 9.709 1.00 54.34 O ATOM 1556 CB TYR A 94 -28.370 -15.465 11.309 1.00 63.41 C ATOM 1557 CG TYR A 94 -27.570 -15.795 12.548 1.00 31.25 C ATOM 1558 CD1 TYR A 94 -28.128 -15.667 13.814 1.00 3.42 C ATOM 1559 CD2 TYR A 94 -26.256 -16.237 12.453 1.00 32.32 C ATOM 1560 CE1 TYR A 94 -27.400 -15.966 14.950 1.00 43.14 C ATOM 1561 CE2 TYR A 94 -25.521 -16.541 13.583 1.00 1.32 C ATOM 1562 CZ TYR A 94 -26.097 -16.403 14.829 1.00 61.43 C ATOM 1563 OH TYR A 94 -25.370 -16.705 15.957 1.00 44.21 O ATOM 0 H TYR A 94 -30.628 -15.451 12.293 1.00 10.31 H new ATOM 0 HA TYR A 94 -28.669 -13.486 12.089 1.00 41.23 H new ATOM 0 HB2 TYR A 94 -29.039 -16.296 11.086 1.00 63.41 H new ATOM 0 HB3 TYR A 94 -27.690 -15.368 10.463 1.00 63.41 H new ATOM 0 HD1 TYR A 94 -29.149 -15.328 13.912 1.00 3.42 H new ATOM 0 HD2 TYR A 94 -25.801 -16.345 11.479 1.00 32.32 H new ATOM 0 HE1 TYR A 94 -27.848 -15.858 15.927 1.00 43.14 H new ATOM 0 HE2 TYR A 94 -24.501 -16.885 13.491 1.00 1.32 H new ATOM 0 HH TYR A 94 -24.472 -16.999 15.698 1.00 44.21 H new