USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 755 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 65 GLN : amide:sc= -0.907! C(o=-0.91!,f=-0.97!) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 TYR OH : rot 30:sc= 0.0845 USER MOD Set 2.2: A 97 THR OG1 : rot -108:sc= -0.484 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0249) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.383 K(o=0.38,f=-1.4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.761 K(o=0.76,f=-5.8!) USER MOD Single : A 38 SER OG : rot -91:sc= -1.19 USER MOD Single : A 47 ASN : amide:sc=-0.00264 X(o=-0.0026,f=-0.26) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.24 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0192 K(o=-0.019,f=-2.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.137 USER MOD Single : A 77 SER OG : rot 80:sc= 0.00549 USER MOD Single : A 80 ASN : amide:sc= -0.0475 K(o=-0.048,f=-1.5) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -2.68! C(o=-2.7!,f=-5.6!) USER MOD Single : A 90 GLN : amide:sc=-0.00817 K(o=-0.0082,f=-1.5!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N LEU A 13 -6.814 -4.681 2.243 1.00 42.34 N ATOM 139 CA LEU A 13 -5.828 -4.739 3.317 1.00 41.12 C ATOM 140 C LEU A 13 -5.344 -6.169 3.534 1.00 54.34 C ATOM 141 O LEU A 13 -4.145 -6.413 3.677 1.00 61.55 O ATOM 142 CB LEU A 13 -6.424 -4.187 4.614 1.00 34.12 C ATOM 143 CG LEU A 13 -5.433 -3.928 5.750 1.00 22.15 C ATOM 144 CD1 LEU A 13 -4.229 -3.152 5.241 1.00 55.13 C ATOM 145 CD2 LEU A 13 -6.111 -3.178 6.888 1.00 52.02 C ATOM 0 HA LEU A 13 -4.974 -4.126 3.027 1.00 41.12 H new ATOM 0 HB2 LEU A 13 -6.937 -3.253 4.386 1.00 34.12 H new ATOM 0 HB3 LEU A 13 -7.180 -4.887 4.970 1.00 34.12 H new ATOM 0 HG LEU A 13 -5.086 -4.889 6.130 1.00 22.15 H new ATOM 0 HD11 LEU A 13 -3.535 -2.977 6.063 1.00 55.13 H new ATOM 0 HD12 LEU A 13 -3.730 -3.726 4.460 1.00 55.13 H new ATOM 0 HD13 LEU A 13 -4.558 -2.196 4.834 1.00 55.13 H new ATOM 0 HD21 LEU A 13 -5.391 -3.002 7.688 1.00 52.02 H new ATOM 0 HD22 LEU A 13 -6.487 -2.223 6.521 1.00 52.02 H new ATOM 0 HD23 LEU A 13 -6.941 -3.771 7.271 1.00 52.02 H new ATOM 157 N ASP A 14 -6.282 -7.108 3.557 1.00 21.41 N ATOM 158 CA ASP A 14 -5.951 -8.515 3.754 1.00 55.22 C ATOM 159 C ASP A 14 -5.024 -9.015 2.649 1.00 52.43 C ATOM 160 O ASP A 14 -4.060 -9.734 2.911 1.00 42.14 O ATOM 161 CB ASP A 14 -7.224 -9.361 3.790 1.00 25.12 C ATOM 162 CG ASP A 14 -7.495 -9.942 5.164 1.00 32.41 C ATOM 163 OD1 ASP A 14 -6.778 -10.884 5.560 1.00 41.22 O ATOM 164 OD2 ASP A 14 -8.424 -9.455 5.841 1.00 64.21 O ATOM 0 H ASP A 14 -7.278 -6.921 3.442 1.00 21.41 H new ATOM 0 HA ASP A 14 -5.434 -8.611 4.709 1.00 55.22 H new ATOM 0 HB2 ASP A 14 -8.072 -8.749 3.484 1.00 25.12 H new ATOM 0 HB3 ASP A 14 -7.138 -10.172 3.066 1.00 25.12 H new ATOM 169 N LYS A 15 -5.324 -8.629 1.414 1.00 32.13 N ATOM 170 CA LYS A 15 -4.519 -9.037 0.269 1.00 2.13 C ATOM 171 C LYS A 15 -3.129 -8.414 0.330 1.00 54.45 C ATOM 172 O LYS A 15 -2.147 -9.017 -0.104 1.00 42.32 O ATOM 173 CB LYS A 15 -5.211 -8.636 -1.036 1.00 23.21 C ATOM 174 CG LYS A 15 -5.913 -9.790 -1.731 1.00 3.54 C ATOM 175 CD LYS A 15 -7.349 -9.937 -1.257 1.00 13.22 C ATOM 176 CE LYS A 15 -8.324 -9.275 -2.219 1.00 41.44 C ATOM 177 NZ LYS A 15 -9.660 -9.933 -2.195 1.00 41.32 N ATOM 0 H LYS A 15 -6.119 -8.034 1.180 1.00 32.13 H new ATOM 0 HA LYS A 15 -4.414 -10.121 0.300 1.00 2.13 H new ATOM 0 HB2 LYS A 15 -5.939 -7.852 -0.826 1.00 23.21 H new ATOM 0 HB3 LYS A 15 -4.471 -8.210 -1.714 1.00 23.21 H new ATOM 0 HG2 LYS A 15 -5.900 -9.629 -2.809 1.00 3.54 H new ATOM 0 HG3 LYS A 15 -5.370 -10.715 -1.540 1.00 3.54 H new ATOM 0 HD2 LYS A 15 -7.594 -10.994 -1.159 1.00 13.22 H new ATOM 0 HD3 LYS A 15 -7.454 -9.492 -0.267 1.00 13.22 H new ATOM 0 HE2 LYS A 15 -8.433 -8.222 -1.958 1.00 41.44 H new ATOM 0 HE3 LYS A 15 -7.919 -9.313 -3.230 1.00 41.44 H new ATOM 0 HZ1 LYS A 15 -10.328 -9.383 -2.772 1.00 41.32 H new ATOM 0 HZ2 LYS A 15 -9.580 -10.895 -2.581 1.00 41.32 H new ATOM 0 HZ3 LYS A 15 -10.006 -9.980 -1.215 1.00 41.32 H new ATOM 191 N TRP A 16 -3.051 -7.204 0.874 1.00 65.11 N ATOM 192 CA TRP A 16 -1.780 -6.499 0.995 1.00 33.13 C ATOM 193 C TRP A 16 -0.807 -7.279 1.872 1.00 30.50 C ATOM 194 O TRP A 16 0.313 -7.577 1.457 1.00 41.12 O ATOM 195 CB TRP A 16 -2.001 -5.101 1.575 1.00 33.12 C ATOM 196 CG TRP A 16 -0.729 -4.412 1.964 1.00 33.31 C ATOM 197 CD1 TRP A 16 -0.220 -4.282 3.224 1.00 52.03 C ATOM 198 CD2 TRP A 16 0.194 -3.757 1.087 1.00 42.42 C ATOM 199 NE1 TRP A 16 0.964 -3.586 3.184 1.00 52.12 N ATOM 200 CE2 TRP A 16 1.241 -3.253 1.885 1.00 41.11 C ATOM 201 CE3 TRP A 16 0.240 -3.549 -0.294 1.00 44.32 C ATOM 202 CZ2 TRP A 16 2.316 -2.554 1.345 1.00 54.15 C ATOM 203 CZ3 TRP A 16 1.309 -2.854 -0.828 1.00 61.05 C ATOM 204 CH2 TRP A 16 2.336 -2.365 -0.010 1.00 11.30 C ATOM 0 H TRP A 16 -3.854 -6.691 1.238 1.00 65.11 H new ATOM 0 HA TRP A 16 -1.348 -6.406 -0.001 1.00 33.13 H new ATOM 0 HB2 TRP A 16 -2.527 -4.490 0.841 1.00 33.12 H new ATOM 0 HB3 TRP A 16 -2.647 -5.176 2.450 1.00 33.12 H new ATOM 0 HD1 TRP A 16 -0.680 -4.669 4.121 1.00 52.03 H new ATOM 0 HE1 TRP A 16 1.543 -3.355 3.991 1.00 52.12 H new ATOM 0 HE3 TRP A 16 -0.546 -3.925 -0.933 1.00 44.32 H new ATOM 0 HZ2 TRP A 16 3.107 -2.174 1.974 1.00 54.15 H new ATOM 0 HZ3 TRP A 16 1.353 -2.685 -1.894 1.00 61.05 H new ATOM 0 HH2 TRP A 16 3.159 -1.828 -0.458 1.00 11.30 H new ATOM 215 N GLU A 17 -1.241 -7.606 3.085 1.00 22.51 N ATOM 216 CA GLU A 17 -0.407 -8.352 4.019 1.00 53.10 C ATOM 217 C GLU A 17 -0.241 -9.799 3.566 1.00 32.31 C ATOM 218 O GLU A 17 0.638 -10.516 4.046 1.00 60.15 O ATOM 219 CB GLU A 17 -1.013 -8.311 5.424 1.00 22.14 C ATOM 220 CG GLU A 17 -0.917 -6.949 6.089 1.00 4.22 C ATOM 221 CD GLU A 17 -1.304 -6.987 7.555 1.00 1.35 C ATOM 222 OE1 GLU A 17 -2.516 -6.941 7.850 1.00 43.31 O ATOM 223 OE2 GLU A 17 -0.394 -7.063 8.406 1.00 30.44 O ATOM 0 H GLU A 17 -2.165 -7.366 3.444 1.00 22.51 H new ATOM 0 HA GLU A 17 0.577 -7.883 4.042 1.00 53.10 H new ATOM 0 HB2 GLU A 17 -2.061 -8.605 5.367 1.00 22.14 H new ATOM 0 HB3 GLU A 17 -0.509 -9.048 6.050 1.00 22.14 H new ATOM 0 HG2 GLU A 17 0.102 -6.574 5.996 1.00 4.22 H new ATOM 0 HG3 GLU A 17 -1.564 -6.246 5.564 1.00 4.22 H new ATOM 230 N LYS A 18 -1.092 -10.224 2.639 1.00 14.24 N ATOM 231 CA LYS A 18 -1.041 -11.585 2.118 1.00 42.41 C ATOM 232 C LYS A 18 0.272 -11.839 1.387 1.00 35.34 C ATOM 233 O LYS A 18 1.126 -12.586 1.866 1.00 3.13 O ATOM 234 CB LYS A 18 -2.220 -11.837 1.175 1.00 40.34 C ATOM 235 CG LYS A 18 -2.418 -13.301 0.826 1.00 71.40 C ATOM 236 CD LYS A 18 -3.588 -13.496 -0.124 1.00 15.40 C ATOM 237 CE LYS A 18 -4.919 -13.418 0.607 1.00 50.34 C ATOM 238 NZ LYS A 18 -6.064 -13.739 -0.289 1.00 44.10 N ATOM 0 H LYS A 18 -1.827 -9.645 2.232 1.00 14.24 H new ATOM 0 HA LYS A 18 -1.105 -12.273 2.961 1.00 42.41 H new ATOM 0 HB2 LYS A 18 -3.131 -11.456 1.636 1.00 40.34 H new ATOM 0 HB3 LYS A 18 -2.067 -11.271 0.256 1.00 40.34 H new ATOM 0 HG2 LYS A 18 -1.509 -13.693 0.370 1.00 71.40 H new ATOM 0 HG3 LYS A 18 -2.590 -13.873 1.738 1.00 71.40 H new ATOM 0 HD2 LYS A 18 -3.555 -12.735 -0.904 1.00 15.40 H new ATOM 0 HD3 LYS A 18 -3.499 -14.463 -0.618 1.00 15.40 H new ATOM 0 HE2 LYS A 18 -4.912 -14.110 1.449 1.00 50.34 H new ATOM 0 HE3 LYS A 18 -5.049 -12.417 1.018 1.00 50.34 H new ATOM 0 HZ1 LYS A 18 -6.953 -13.675 0.247 1.00 44.10 H new ATOM 0 HZ2 LYS A 18 -6.087 -13.063 -1.079 1.00 44.10 H new ATOM 0 HZ3 LYS A 18 -5.953 -14.704 -0.662 1.00 44.10 H new ATOM 252 N ILE A 19 0.428 -11.214 0.224 1.00 2.31 N ATOM 253 CA ILE A 19 1.639 -11.371 -0.571 1.00 1.10 C ATOM 254 C ILE A 19 2.881 -11.378 0.313 1.00 50.20 C ATOM 255 O ILE A 19 2.940 -10.676 1.322 1.00 40.43 O ATOM 256 CB ILE A 19 1.774 -10.250 -1.619 1.00 44.12 C ATOM 257 CG1 ILE A 19 0.579 -10.269 -2.575 1.00 33.24 C ATOM 258 CG2 ILE A 19 3.078 -10.399 -2.388 1.00 4.20 C ATOM 259 CD1 ILE A 19 0.262 -8.915 -3.172 1.00 74.23 C ATOM 0 H ILE A 19 -0.270 -10.594 -0.188 1.00 2.31 H new ATOM 0 HA ILE A 19 1.557 -12.329 -1.084 1.00 1.10 H new ATOM 0 HB ILE A 19 1.787 -9.290 -1.103 1.00 44.12 H new ATOM 0 HG12 ILE A 19 0.780 -10.975 -3.381 1.00 33.24 H new ATOM 0 HG13 ILE A 19 -0.298 -10.636 -2.041 1.00 33.24 H new ATOM 0 HG21 ILE A 19 3.159 -9.600 -3.125 1.00 4.20 H new ATOM 0 HG22 ILE A 19 3.918 -10.341 -1.695 1.00 4.20 H new ATOM 0 HG23 ILE A 19 3.093 -11.363 -2.896 1.00 4.20 H new ATOM 0 HD11 ILE A 19 -0.595 -9.003 -3.839 1.00 74.23 H new ATOM 0 HD12 ILE A 19 0.029 -8.211 -2.373 1.00 74.23 H new ATOM 0 HD13 ILE A 19 1.123 -8.555 -3.734 1.00 74.23 H new ATOM 271 N ARG A 20 3.872 -12.175 -0.073 1.00 1.23 N ATOM 272 CA ARG A 20 5.114 -12.273 0.685 1.00 3.34 C ATOM 273 C ARG A 20 6.092 -11.178 0.268 1.00 24.35 C ATOM 274 O ARG A 20 5.733 -10.255 -0.465 1.00 62.03 O ATOM 275 CB ARG A 20 5.753 -13.648 0.482 1.00 4.53 C ATOM 276 CG ARG A 20 4.820 -14.805 0.799 1.00 31.44 C ATOM 277 CD ARG A 20 5.275 -16.089 0.122 1.00 13.44 C ATOM 278 NE ARG A 20 4.227 -17.107 0.117 1.00 13.04 N ATOM 279 CZ ARG A 20 4.355 -18.290 -0.474 1.00 40.41 C ATOM 280 NH1 ARG A 20 5.479 -18.602 -1.104 1.00 63.43 N ATOM 281 NH2 ARG A 20 3.356 -19.163 -0.436 1.00 54.45 N ATOM 0 H ARG A 20 3.839 -12.762 -0.906 1.00 1.23 H new ATOM 0 HA ARG A 20 4.878 -12.143 1.741 1.00 3.34 H new ATOM 0 HB2 ARG A 20 6.088 -13.735 -0.552 1.00 4.53 H new ATOM 0 HB3 ARG A 20 6.640 -13.724 1.112 1.00 4.53 H new ATOM 0 HG2 ARG A 20 4.779 -14.956 1.878 1.00 31.44 H new ATOM 0 HG3 ARG A 20 3.809 -14.559 0.473 1.00 31.44 H new ATOM 0 HD2 ARG A 20 5.574 -15.872 -0.903 1.00 13.44 H new ATOM 0 HD3 ARG A 20 6.155 -16.477 0.635 1.00 13.44 H new ATOM 0 HE ARG A 20 3.349 -16.898 0.593 1.00 13.04 H new ATOM 0 HH11 ARG A 20 6.248 -17.933 -1.136 1.00 63.43 H new ATOM 0 HH12 ARG A 20 5.574 -19.511 -1.557 1.00 63.43 H new ATOM 0 HH21 ARG A 20 2.490 -18.926 0.047 1.00 54.45 H new ATOM 0 HH22 ARG A 20 3.455 -20.071 -0.890 1.00 54.45 H new ATOM 295 N LEU A 21 7.329 -11.288 0.739 1.00 24.13 N ATOM 296 CA LEU A 21 8.360 -10.308 0.415 1.00 53.44 C ATOM 297 C LEU A 21 9.396 -10.900 -0.534 1.00 33.32 C ATOM 298 O LEU A 21 9.731 -10.300 -1.556 1.00 23.32 O ATOM 299 CB LEU A 21 9.045 -9.819 1.693 1.00 21.02 C ATOM 300 CG LEU A 21 8.122 -9.257 2.775 1.00 45.44 C ATOM 301 CD1 LEU A 21 8.932 -8.762 3.964 1.00 30.41 C ATOM 302 CD2 LEU A 21 7.260 -8.136 2.212 1.00 41.25 C ATOM 0 H LEU A 21 7.643 -12.045 1.346 1.00 24.13 H new ATOM 0 HA LEU A 21 7.881 -9.464 -0.081 1.00 53.44 H new ATOM 0 HB2 LEU A 21 9.609 -10.648 2.119 1.00 21.02 H new ATOM 0 HB3 LEU A 21 9.767 -9.048 1.423 1.00 21.02 H new ATOM 0 HG LEU A 21 7.465 -10.057 3.116 1.00 45.44 H new ATOM 0 HD11 LEU A 21 8.258 -8.366 4.724 1.00 30.41 H new ATOM 0 HD12 LEU A 21 9.505 -9.589 4.383 1.00 30.41 H new ATOM 0 HD13 LEU A 21 9.614 -7.976 3.638 1.00 30.41 H new ATOM 0 HD21 LEU A 21 6.610 -7.748 2.996 1.00 41.25 H new ATOM 0 HD22 LEU A 21 7.900 -7.335 1.843 1.00 41.25 H new ATOM 0 HD23 LEU A 21 6.652 -8.521 1.393 1.00 41.25 H new ATOM 314 N ARG A 22 9.898 -12.083 -0.192 1.00 1.31 N ATOM 315 CA ARG A 22 10.895 -12.757 -1.015 1.00 43.43 C ATOM 316 C ARG A 22 10.280 -13.943 -1.750 1.00 24.35 C ATOM 317 O ARG A 22 9.160 -14.369 -1.467 1.00 41.44 O ATOM 318 CB ARG A 22 12.065 -13.230 -0.151 1.00 53.11 C ATOM 319 CG ARG A 22 13.301 -12.352 -0.265 1.00 1.12 C ATOM 320 CD ARG A 22 13.848 -11.978 1.103 1.00 45.25 C ATOM 321 NE ARG A 22 15.100 -11.232 1.008 1.00 21.13 N ATOM 322 CZ ARG A 22 15.163 -9.935 0.728 1.00 52.41 C ATOM 323 NH1 ARG A 22 14.051 -9.243 0.520 1.00 31.23 N ATOM 324 NH2 ARG A 22 16.341 -9.327 0.659 1.00 62.12 N ATOM 0 H ARG A 22 9.630 -12.594 0.649 1.00 1.31 H new ATOM 0 HA ARG A 22 11.262 -12.044 -1.753 1.00 43.43 H new ATOM 0 HB2 ARG A 22 11.747 -13.261 0.891 1.00 53.11 H new ATOM 0 HB3 ARG A 22 12.326 -14.249 -0.435 1.00 53.11 H new ATOM 0 HG2 ARG A 22 14.069 -12.876 -0.834 1.00 1.12 H new ATOM 0 HG3 ARG A 22 13.055 -11.446 -0.820 1.00 1.12 H new ATOM 0 HD2 ARG A 22 13.110 -11.380 1.637 1.00 45.25 H new ATOM 0 HD3 ARG A 22 14.009 -12.883 1.689 1.00 45.25 H new ATOM 0 HE ARG A 22 15.974 -11.734 1.165 1.00 21.13 H new ATOM 0 HH11 ARG A 22 13.144 -9.707 0.575 1.00 31.23 H new ATOM 0 HH12 ARG A 22 14.103 -8.247 0.305 1.00 31.23 H new ATOM 0 HH21 ARG A 22 17.198 -9.856 0.821 1.00 62.12 H new ATOM 0 HH22 ARG A 22 16.389 -8.331 0.444 1.00 62.12 H new ATOM 338 N PRO A 23 11.029 -14.492 -2.719 1.00 64.32 N ATOM 339 CA PRO A 23 10.577 -15.637 -3.515 1.00 15.11 C ATOM 340 C PRO A 23 10.516 -16.924 -2.699 1.00 55.24 C ATOM 341 O PRO A 23 9.483 -17.589 -2.647 1.00 53.34 O ATOM 342 CB PRO A 23 11.641 -15.749 -4.610 1.00 63.13 C ATOM 343 CG PRO A 23 12.861 -15.133 -4.017 1.00 71.22 C ATOM 344 CD PRO A 23 12.373 -14.037 -3.110 1.00 33.32 C ATOM 0 HA PRO A 23 9.566 -15.494 -3.896 1.00 15.11 H new ATOM 0 HB2 PRO A 23 11.817 -16.789 -4.886 1.00 63.13 H new ATOM 0 HB3 PRO A 23 11.334 -15.226 -5.516 1.00 63.13 H new ATOM 0 HG2 PRO A 23 13.440 -15.871 -3.461 1.00 71.22 H new ATOM 0 HG3 PRO A 23 13.514 -14.735 -4.794 1.00 71.22 H new ATOM 0 HD2 PRO A 23 13.023 -13.913 -2.244 1.00 33.32 H new ATOM 0 HD3 PRO A 23 12.339 -13.076 -3.623 1.00 33.32 H new ATOM 352 N GLY A 24 11.631 -17.267 -2.061 1.00 31.42 N ATOM 353 CA GLY A 24 11.682 -18.474 -1.255 1.00 55.42 C ATOM 354 C GLY A 24 11.776 -18.175 0.229 1.00 24.21 C ATOM 355 O GLY A 24 12.680 -18.657 0.911 1.00 0.23 O ATOM 0 H GLY A 24 12.499 -16.732 -2.087 1.00 31.42 H new ATOM 0 HA2 GLY A 24 10.792 -19.073 -1.446 1.00 55.42 H new ATOM 0 HA3 GLY A 24 12.541 -19.073 -1.557 1.00 55.42 H new ATOM 359 N GLY A 25 10.839 -17.376 0.730 1.00 42.22 N ATOM 360 CA GLY A 25 10.838 -17.026 2.139 1.00 75.35 C ATOM 361 C GLY A 25 9.475 -17.197 2.778 1.00 62.44 C ATOM 362 O GLY A 25 8.612 -17.892 2.242 1.00 24.44 O ATOM 0 H GLY A 25 10.081 -16.965 0.186 1.00 42.22 H new ATOM 0 HA2 GLY A 25 11.563 -17.647 2.665 1.00 75.35 H new ATOM 0 HA3 GLY A 25 11.162 -15.992 2.253 1.00 75.35 H new ATOM 366 N LYS A 26 9.280 -16.564 3.930 1.00 62.33 N ATOM 367 CA LYS A 26 8.013 -16.649 4.646 1.00 22.25 C ATOM 368 C LYS A 26 7.588 -15.280 5.167 1.00 14.55 C ATOM 369 O LYS A 26 6.667 -15.170 5.975 1.00 52.50 O ATOM 370 CB LYS A 26 8.124 -17.637 5.810 1.00 14.14 C ATOM 371 CG LYS A 26 6.817 -18.333 6.144 1.00 61.25 C ATOM 372 CD LYS A 26 6.896 -19.826 5.875 1.00 30.40 C ATOM 373 CE LYS A 26 6.820 -20.130 4.387 1.00 12.44 C ATOM 374 NZ LYS A 26 6.902 -21.591 4.113 1.00 23.44 N ATOM 0 H LYS A 26 9.984 -15.986 4.388 1.00 62.33 H new ATOM 0 HA LYS A 26 7.255 -17.004 3.948 1.00 22.25 H new ATOM 0 HB2 LYS A 26 8.874 -18.389 5.567 1.00 14.14 H new ATOM 0 HB3 LYS A 26 8.479 -17.106 6.693 1.00 14.14 H new ATOM 0 HG2 LYS A 26 6.571 -18.164 7.192 1.00 61.25 H new ATOM 0 HG3 LYS A 26 6.011 -17.898 5.553 1.00 61.25 H new ATOM 0 HD2 LYS A 26 7.827 -20.221 6.281 1.00 30.40 H new ATOM 0 HD3 LYS A 26 6.082 -20.333 6.393 1.00 30.40 H new ATOM 0 HE2 LYS A 26 5.887 -19.737 3.984 1.00 12.44 H new ATOM 0 HE3 LYS A 26 7.631 -19.618 3.870 1.00 12.44 H new ATOM 0 HZ1 LYS A 26 6.847 -21.756 3.088 1.00 23.44 H new ATOM 0 HZ2 LYS A 26 7.804 -21.962 4.475 1.00 23.44 H new ATOM 0 HZ3 LYS A 26 6.113 -22.078 4.585 1.00 23.44 H new ATOM 388 N LYS A 27 8.266 -14.238 4.696 1.00 11.21 N ATOM 389 CA LYS A 27 7.959 -12.875 5.112 1.00 2.22 C ATOM 390 C LYS A 27 6.823 -12.293 4.274 1.00 70.33 C ATOM 391 O LYS A 27 6.749 -12.526 3.068 1.00 34.23 O ATOM 392 CB LYS A 27 9.201 -11.990 4.990 1.00 3.21 C ATOM 393 CG LYS A 27 10.460 -12.629 5.548 1.00 34.34 C ATOM 394 CD LYS A 27 11.496 -11.584 5.927 1.00 34.10 C ATOM 395 CE LYS A 27 11.647 -11.471 7.436 1.00 33.12 C ATOM 396 NZ LYS A 27 12.766 -10.565 7.814 1.00 54.15 N ATOM 0 H LYS A 27 9.032 -14.312 4.026 1.00 11.21 H new ATOM 0 HA LYS A 27 7.641 -12.903 6.154 1.00 2.22 H new ATOM 0 HB2 LYS A 27 9.362 -11.747 3.940 1.00 3.21 H new ATOM 0 HB3 LYS A 27 9.019 -11.050 5.511 1.00 3.21 H new ATOM 0 HG2 LYS A 27 10.208 -13.227 6.424 1.00 34.34 H new ATOM 0 HG3 LYS A 27 10.882 -13.309 4.808 1.00 34.34 H new ATOM 0 HD2 LYS A 27 12.457 -11.845 5.483 1.00 34.10 H new ATOM 0 HD3 LYS A 27 11.206 -10.617 5.516 1.00 34.10 H new ATOM 0 HE2 LYS A 27 10.717 -11.100 7.867 1.00 33.12 H new ATOM 0 HE3 LYS A 27 11.822 -12.460 7.859 1.00 33.12 H new ATOM 0 HZ1 LYS A 27 12.837 -10.514 8.850 1.00 54.15 H new ATOM 0 HZ2 LYS A 27 13.657 -10.933 7.424 1.00 54.15 H new ATOM 0 HZ3 LYS A 27 12.587 -9.614 7.432 1.00 54.15 H new ATOM 410 N GLN A 28 5.945 -11.535 4.922 1.00 24.44 N ATOM 411 CA GLN A 28 4.814 -10.921 4.235 1.00 61.30 C ATOM 412 C GLN A 28 4.867 -9.401 4.353 1.00 34.12 C ATOM 413 O GLN A 28 5.795 -8.846 4.941 1.00 62.41 O ATOM 414 CB GLN A 28 3.496 -11.444 4.810 1.00 2.35 C ATOM 415 CG GLN A 28 3.550 -12.904 5.226 1.00 55.14 C ATOM 416 CD GLN A 28 3.702 -13.079 6.725 1.00 5.53 C ATOM 417 OE1 GLN A 28 3.178 -12.287 7.509 1.00 52.45 O ATOM 418 NE2 GLN A 28 4.421 -14.118 7.131 1.00 25.32 N ATOM 0 H GLN A 28 5.994 -11.331 5.920 1.00 24.44 H new ATOM 0 HA GLN A 28 4.873 -11.188 3.180 1.00 61.30 H new ATOM 0 HB2 GLN A 28 3.221 -10.839 5.674 1.00 2.35 H new ATOM 0 HB3 GLN A 28 2.709 -11.316 4.067 1.00 2.35 H new ATOM 0 HG2 GLN A 28 2.640 -13.406 4.896 1.00 55.14 H new ATOM 0 HG3 GLN A 28 4.384 -13.391 4.721 1.00 55.14 H new ATOM 0 HE21 GLN A 28 4.837 -14.749 6.446 1.00 25.32 H new ATOM 0 HE22 GLN A 28 4.557 -14.286 8.128 1.00 25.32 H new ATOM 427 N TYR A 29 3.865 -8.735 3.789 1.00 55.30 N ATOM 428 CA TYR A 29 3.800 -7.278 3.829 1.00 22.42 C ATOM 429 C TYR A 29 2.994 -6.802 5.034 1.00 32.33 C ATOM 430 O TYR A 29 2.136 -7.521 5.546 1.00 63.14 O ATOM 431 CB TYR A 29 3.177 -6.741 2.539 1.00 41.42 C ATOM 432 CG TYR A 29 4.180 -6.514 1.431 1.00 22.32 C ATOM 433 CD1 TYR A 29 5.054 -5.435 1.468 1.00 11.15 C ATOM 434 CD2 TYR A 29 4.253 -7.379 0.346 1.00 62.13 C ATOM 435 CE1 TYR A 29 5.971 -5.224 0.458 1.00 13.25 C ATOM 436 CE2 TYR A 29 5.168 -7.177 -0.669 1.00 52.12 C ATOM 437 CZ TYR A 29 6.025 -6.098 -0.609 1.00 75.01 C ATOM 438 OH TYR A 29 6.938 -5.892 -1.618 1.00 51.13 O ATOM 0 H TYR A 29 3.088 -9.179 3.300 1.00 55.30 H new ATOM 0 HA TYR A 29 4.816 -6.895 3.921 1.00 22.42 H new ATOM 0 HB2 TYR A 29 2.418 -7.443 2.193 1.00 41.42 H new ATOM 0 HB3 TYR A 29 2.668 -5.802 2.755 1.00 41.42 H new ATOM 0 HD1 TYR A 29 5.015 -4.749 2.301 1.00 11.15 H new ATOM 0 HD2 TYR A 29 3.583 -8.224 0.295 1.00 62.13 H new ATOM 0 HE1 TYR A 29 6.643 -4.379 0.502 1.00 13.25 H new ATOM 0 HE2 TYR A 29 5.212 -7.860 -1.505 1.00 52.12 H new ATOM 0 HH TYR A 29 7.732 -5.447 -1.255 1.00 51.13 H new ATOM 448 N LYS A 30 3.275 -5.583 5.481 1.00 14.53 N ATOM 449 CA LYS A 30 2.578 -5.006 6.624 1.00 24.51 C ATOM 450 C LYS A 30 2.465 -3.491 6.485 1.00 32.11 C ATOM 451 O LYS A 30 3.067 -2.893 5.591 1.00 71.14 O ATOM 452 CB LYS A 30 3.306 -5.358 7.922 1.00 52.11 C ATOM 453 CG LYS A 30 2.431 -6.073 8.936 1.00 73.45 C ATOM 454 CD LYS A 30 2.907 -5.826 10.358 1.00 13.12 C ATOM 455 CE LYS A 30 1.847 -5.113 11.184 1.00 41.12 C ATOM 456 NZ LYS A 30 2.436 -4.424 12.366 1.00 60.00 N ATOM 0 H LYS A 30 3.982 -4.975 5.068 1.00 14.53 H new ATOM 0 HA LYS A 30 1.572 -5.425 6.654 1.00 24.51 H new ATOM 0 HB2 LYS A 30 4.165 -5.987 7.688 1.00 52.11 H new ATOM 0 HB3 LYS A 30 3.694 -4.443 8.370 1.00 52.11 H new ATOM 0 HG2 LYS A 30 1.401 -5.733 8.832 1.00 73.45 H new ATOM 0 HG3 LYS A 30 2.436 -7.144 8.731 1.00 73.45 H new ATOM 0 HD2 LYS A 30 3.159 -6.776 10.829 1.00 13.12 H new ATOM 0 HD3 LYS A 30 3.818 -5.228 10.339 1.00 13.12 H new ATOM 0 HE2 LYS A 30 1.329 -4.385 10.560 1.00 41.12 H new ATOM 0 HE3 LYS A 30 1.101 -5.834 11.518 1.00 41.12 H new ATOM 0 HZ1 LYS A 30 1.682 -3.950 12.903 1.00 60.00 H new ATOM 0 HZ2 LYS A 30 2.909 -5.122 12.975 1.00 60.00 H new ATOM 0 HZ3 LYS A 30 3.129 -3.718 12.046 1.00 60.00 H new ATOM 470 N LEU A 31 1.693 -2.876 7.373 1.00 24.41 N ATOM 471 CA LEU A 31 1.502 -1.430 7.351 1.00 74.02 C ATOM 472 C LEU A 31 2.837 -0.708 7.198 1.00 31.31 C ATOM 473 O LEU A 31 2.983 0.180 6.358 1.00 13.15 O ATOM 474 CB LEU A 31 0.803 -0.968 8.630 1.00 52.14 C ATOM 475 CG LEU A 31 -0.717 -0.829 8.552 1.00 24.43 C ATOM 476 CD1 LEU A 31 -1.104 0.247 7.549 1.00 40.32 C ATOM 477 CD2 LEU A 31 -1.356 -2.160 8.181 1.00 45.23 C ATOM 0 H LEU A 31 1.188 -3.356 8.118 1.00 24.41 H new ATOM 0 HA LEU A 31 0.876 -1.184 6.494 1.00 74.02 H new ATOM 0 HB2 LEU A 31 1.043 -1.673 9.426 1.00 52.14 H new ATOM 0 HB3 LEU A 31 1.221 -0.004 8.921 1.00 52.14 H new ATOM 0 HG LEU A 31 -1.086 -0.532 9.534 1.00 24.43 H new ATOM 0 HD11 LEU A 31 -2.190 0.332 7.507 1.00 40.32 H new ATOM 0 HD12 LEU A 31 -0.677 1.202 7.857 1.00 40.32 H new ATOM 0 HD13 LEU A 31 -0.723 -0.020 6.563 1.00 40.32 H new ATOM 0 HD21 LEU A 31 -2.438 -2.042 8.130 1.00 45.23 H new ATOM 0 HD22 LEU A 31 -0.980 -2.486 7.211 1.00 45.23 H new ATOM 0 HD23 LEU A 31 -1.107 -2.906 8.936 1.00 45.23 H new ATOM 489 N LYS A 32 3.811 -1.096 8.015 1.00 22.43 N ATOM 490 CA LYS A 32 5.137 -0.489 7.968 1.00 44.13 C ATOM 491 C LYS A 32 5.503 -0.089 6.543 1.00 61.13 C ATOM 492 O LYS A 32 5.965 1.025 6.300 1.00 14.55 O ATOM 493 CB LYS A 32 6.183 -1.458 8.523 1.00 31.04 C ATOM 494 CG LYS A 32 7.246 -0.785 9.373 1.00 53.42 C ATOM 495 CD LYS A 32 7.034 -1.060 10.853 1.00 13.23 C ATOM 496 CE LYS A 32 7.344 0.166 11.698 1.00 72.03 C ATOM 497 NZ LYS A 32 6.181 0.574 12.532 1.00 65.01 N ATOM 0 H LYS A 32 3.707 -1.828 8.718 1.00 22.43 H new ATOM 0 HA LYS A 32 5.120 0.410 8.584 1.00 44.13 H new ATOM 0 HB2 LYS A 32 5.680 -2.219 9.120 1.00 31.04 H new ATOM 0 HB3 LYS A 32 6.666 -1.973 7.692 1.00 31.04 H new ATOM 0 HG2 LYS A 32 8.232 -1.141 9.073 1.00 53.42 H new ATOM 0 HG3 LYS A 32 7.228 0.290 9.196 1.00 53.42 H new ATOM 0 HD2 LYS A 32 6.002 -1.369 11.023 1.00 13.23 H new ATOM 0 HD3 LYS A 32 7.670 -1.888 11.165 1.00 13.23 H new ATOM 0 HE2 LYS A 32 8.197 -0.044 12.343 1.00 72.03 H new ATOM 0 HE3 LYS A 32 7.632 0.992 11.047 1.00 72.03 H new ATOM 0 HZ1 LYS A 32 6.433 1.413 13.093 1.00 65.01 H new ATOM 0 HZ2 LYS A 32 5.374 0.799 11.916 1.00 65.01 H new ATOM 0 HZ3 LYS A 32 5.922 -0.204 13.171 1.00 65.01 H new ATOM 511 N HIS A 33 5.292 -1.006 5.604 1.00 11.11 N ATOM 512 CA HIS A 33 5.599 -0.748 4.201 1.00 5.03 C ATOM 513 C HIS A 33 4.623 0.267 3.611 1.00 22.55 C ATOM 514 O HIS A 33 5.093 1.156 2.900 1.00 2.32 O ATOM 515 CB HIS A 33 5.547 -2.048 3.397 1.00 74.13 C ATOM 516 CG HIS A 33 6.323 -3.167 4.021 1.00 54.11 C ATOM 517 ND1 HIS A 33 5.727 -4.279 4.577 1.00 24.15 N ATOM 518 CD2 HIS A 33 7.657 -3.343 4.174 1.00 13.42 C ATOM 519 CE1 HIS A 33 6.660 -5.089 5.045 1.00 11.42 C ATOM 520 NE2 HIS A 33 7.841 -4.544 4.811 1.00 43.13 N ATOM 0 H HIS A 33 4.910 -1.934 5.789 1.00 11.11 H new ATOM 0 HA HIS A 33 6.606 -0.335 4.145 1.00 5.03 H new ATOM 0 HB2 HIS A 33 4.507 -2.355 3.285 1.00 74.13 H new ATOM 0 HB3 HIS A 33 5.934 -1.862 2.395 1.00 74.13 H new ATOM 0 HD2 HIS A 33 8.433 -2.663 3.854 1.00 13.42 H new ATOM 0 HE1 HIS A 33 6.487 -6.036 5.535 1.00 11.42 H new ATOM 0 HE2 HIS A 33 8.742 -4.950 5.063 1.00 43.13 H new ATOM 528 N ILE A 34 3.324 0.161 3.874 1.00 35.30 N ATOM 529 CA ILE A 34 2.357 1.107 3.333 1.00 63.13 C ATOM 530 C ILE A 34 2.732 2.541 3.689 1.00 3.34 C ATOM 531 O ILE A 34 2.488 3.468 2.916 1.00 31.21 O ATOM 532 CB ILE A 34 0.935 0.817 3.852 1.00 33.13 C ATOM 533 CG1 ILE A 34 0.570 -0.649 3.610 1.00 31.43 C ATOM 534 CG2 ILE A 34 -0.072 1.737 3.180 1.00 43.53 C ATOM 535 CD1 ILE A 34 -0.834 -1.002 4.047 1.00 31.43 C ATOM 0 H ILE A 34 2.918 -0.570 4.458 1.00 35.30 H new ATOM 0 HA ILE A 34 2.372 0.988 2.250 1.00 63.13 H new ATOM 0 HB ILE A 34 0.910 1.006 4.925 1.00 33.13 H new ATOM 0 HG12 ILE A 34 0.678 -0.871 2.548 1.00 31.43 H new ATOM 0 HG13 ILE A 34 1.278 -1.284 4.142 1.00 31.43 H new ATOM 0 HG21 ILE A 34 -1.071 1.520 3.557 1.00 43.53 H new ATOM 0 HG22 ILE A 34 0.181 2.775 3.398 1.00 43.53 H new ATOM 0 HG23 ILE A 34 -0.048 1.577 2.102 1.00 43.53 H new ATOM 0 HD11 ILE A 34 -1.024 -2.056 3.845 1.00 31.43 H new ATOM 0 HD12 ILE A 34 -0.941 -0.812 5.115 1.00 31.43 H new ATOM 0 HD13 ILE A 34 -1.551 -0.393 3.496 1.00 31.43 H new ATOM 547 N VAL A 35 3.328 2.718 4.864 1.00 41.12 N ATOM 548 CA VAL A 35 3.740 4.039 5.321 1.00 51.13 C ATOM 549 C VAL A 35 5.061 4.454 4.683 1.00 55.35 C ATOM 550 O VAL A 35 5.197 5.571 4.183 1.00 51.32 O ATOM 551 CB VAL A 35 3.888 4.082 6.853 1.00 43.24 C ATOM 552 CG1 VAL A 35 4.394 5.444 7.304 1.00 31.05 C ATOM 553 CG2 VAL A 35 2.564 3.748 7.525 1.00 72.32 C ATOM 0 H VAL A 35 3.536 1.962 5.517 1.00 41.12 H new ATOM 0 HA VAL A 35 2.958 4.736 5.019 1.00 51.13 H new ATOM 0 HB VAL A 35 4.621 3.332 7.150 1.00 43.24 H new ATOM 0 HG11 VAL A 35 4.492 5.455 8.390 1.00 31.05 H new ATOM 0 HG12 VAL A 35 5.365 5.640 6.850 1.00 31.05 H new ATOM 0 HG13 VAL A 35 3.688 6.215 6.996 1.00 31.05 H new ATOM 0 HG21 VAL A 35 2.686 3.783 8.608 1.00 72.32 H new ATOM 0 HG22 VAL A 35 1.809 4.473 7.222 1.00 72.32 H new ATOM 0 HG23 VAL A 35 2.247 2.748 7.228 1.00 72.32 H new ATOM 563 N TRP A 36 6.032 3.548 4.703 1.00 5.24 N ATOM 564 CA TRP A 36 7.343 3.820 4.125 1.00 32.42 C ATOM 565 C TRP A 36 7.221 4.204 2.655 1.00 52.10 C ATOM 566 O TRP A 36 8.101 4.860 2.100 1.00 54.52 O ATOM 567 CB TRP A 36 8.251 2.598 4.272 1.00 2.21 C ATOM 568 CG TRP A 36 9.580 2.761 3.598 1.00 45.32 C ATOM 569 CD1 TRP A 36 10.767 3.083 4.193 1.00 4.21 C ATOM 570 CD2 TRP A 36 9.857 2.611 2.202 1.00 72.22 C ATOM 571 NE1 TRP A 36 11.764 3.143 3.250 1.00 23.23 N ATOM 572 CE2 TRP A 36 11.232 2.856 2.021 1.00 54.20 C ATOM 573 CE3 TRP A 36 9.077 2.290 1.087 1.00 53.23 C ATOM 574 CZ2 TRP A 36 11.841 2.792 0.771 1.00 1.34 C ATOM 575 CZ3 TRP A 36 9.683 2.228 -0.154 1.00 53.33 C ATOM 576 CH2 TRP A 36 11.054 2.477 -0.304 1.00 70.35 C ATOM 0 H TRP A 36 5.936 2.619 5.113 1.00 5.24 H new ATOM 0 HA TRP A 36 7.783 4.658 4.664 1.00 32.42 H new ATOM 0 HB2 TRP A 36 8.411 2.399 5.332 1.00 2.21 H new ATOM 0 HB3 TRP A 36 7.745 1.726 3.856 1.00 2.21 H new ATOM 0 HD1 TRP A 36 10.902 3.264 5.249 1.00 4.21 H new ATOM 0 HE1 TRP A 36 12.742 3.365 3.435 1.00 23.23 H new ATOM 0 HE3 TRP A 36 8.020 2.094 1.193 1.00 53.23 H new ATOM 0 HZ2 TRP A 36 12.897 2.984 0.653 1.00 1.34 H new ATOM 0 HZ3 TRP A 36 9.090 1.984 -1.023 1.00 53.33 H new ATOM 0 HH2 TRP A 36 11.498 2.419 -1.287 1.00 70.35 H new ATOM 587 N ALA A 37 6.124 3.790 2.028 1.00 52.23 N ATOM 588 CA ALA A 37 5.887 4.093 0.623 1.00 4.24 C ATOM 589 C ALA A 37 5.254 5.471 0.458 1.00 33.44 C ATOM 590 O ALA A 37 5.743 6.301 -0.308 1.00 5.30 O ATOM 591 CB ALA A 37 5.004 3.026 -0.006 1.00 21.54 C ATOM 0 H ALA A 37 5.386 3.244 2.472 1.00 52.23 H new ATOM 0 HA ALA A 37 6.849 4.100 0.111 1.00 4.24 H new ATOM 0 HB1 ALA A 37 4.835 3.266 -1.056 1.00 21.54 H new ATOM 0 HB2 ALA A 37 5.495 2.056 0.070 1.00 21.54 H new ATOM 0 HB3 ALA A 37 4.048 2.991 0.516 1.00 21.54 H new ATOM 597 N SER A 38 4.163 5.706 1.180 1.00 21.11 N ATOM 598 CA SER A 38 3.460 6.982 1.110 1.00 11.54 C ATOM 599 C SER A 38 4.363 8.125 1.564 1.00 1.30 C ATOM 600 O SER A 38 4.226 9.259 1.104 1.00 71.23 O ATOM 601 CB SER A 38 2.198 6.941 1.972 1.00 22.05 C ATOM 602 OG SER A 38 1.067 6.565 1.204 1.00 71.33 O ATOM 0 H SER A 38 3.747 5.030 1.820 1.00 21.11 H new ATOM 0 HA SER A 38 3.177 7.156 0.072 1.00 11.54 H new ATOM 0 HB2 SER A 38 2.336 6.235 2.791 1.00 22.05 H new ATOM 0 HB3 SER A 38 2.028 7.920 2.420 1.00 22.05 H new ATOM 0 HG SER A 38 0.633 7.368 0.846 1.00 71.33 H new ATOM 608 N ARG A 39 5.286 7.818 2.470 1.00 1.11 N ATOM 609 CA ARG A 39 6.210 8.819 2.988 1.00 0.22 C ATOM 610 C ARG A 39 7.343 9.077 1.999 1.00 21.12 C ATOM 611 O ARG A 39 8.019 10.102 2.069 1.00 2.22 O ATOM 612 CB ARG A 39 6.785 8.365 4.332 1.00 12.54 C ATOM 613 CG ARG A 39 7.674 9.406 4.995 1.00 65.44 C ATOM 614 CD ARG A 39 7.614 9.303 6.511 1.00 51.05 C ATOM 615 NE ARG A 39 8.426 8.200 7.017 1.00 22.40 N ATOM 616 CZ ARG A 39 8.515 7.882 8.305 1.00 1.24 C ATOM 617 NH1 ARG A 39 7.846 8.581 9.211 1.00 4.13 N ATOM 618 NH2 ARG A 39 9.275 6.863 8.688 1.00 10.55 N ATOM 0 H ARG A 39 5.413 6.884 2.860 1.00 1.11 H new ATOM 0 HA ARG A 39 5.658 9.748 3.131 1.00 0.22 H new ATOM 0 HB2 ARG A 39 5.964 8.119 5.005 1.00 12.54 H new ATOM 0 HB3 ARG A 39 7.359 7.451 4.182 1.00 12.54 H new ATOM 0 HG2 ARG A 39 8.703 9.274 4.660 1.00 65.44 H new ATOM 0 HG3 ARG A 39 7.363 10.403 4.684 1.00 65.44 H new ATOM 0 HD2 ARG A 39 7.958 10.239 6.952 1.00 51.05 H new ATOM 0 HD3 ARG A 39 6.579 9.165 6.824 1.00 51.05 H new ATOM 0 HE ARG A 39 8.954 7.643 6.345 1.00 22.40 H new ATOM 0 HH11 ARG A 39 7.261 9.365 8.921 1.00 4.13 H new ATOM 0 HH12 ARG A 39 7.916 8.335 10.198 1.00 4.13 H new ATOM 0 HH21 ARG A 39 9.792 6.323 7.994 1.00 10.55 H new ATOM 0 HH22 ARG A 39 9.342 6.620 9.676 1.00 10.55 H new ATOM 632 N GLU A 40 7.544 8.138 1.079 1.00 30.04 N ATOM 633 CA GLU A 40 8.595 8.264 0.077 1.00 32.02 C ATOM 634 C GLU A 40 8.067 8.941 -1.185 1.00 54.24 C ATOM 635 O GLU A 40 8.729 9.805 -1.762 1.00 5.11 O ATOM 636 CB GLU A 40 9.166 6.887 -0.271 1.00 73.13 C ATOM 637 CG GLU A 40 10.670 6.889 -0.488 1.00 64.44 C ATOM 638 CD GLU A 40 11.424 7.530 0.661 1.00 32.24 C ATOM 639 OE1 GLU A 40 10.928 7.468 1.805 1.00 55.21 O ATOM 640 OE2 GLU A 40 12.512 8.093 0.414 1.00 65.04 O ATOM 0 H GLU A 40 6.993 7.283 1.007 1.00 30.04 H new ATOM 0 HA GLU A 40 9.388 8.884 0.496 1.00 32.02 H new ATOM 0 HB2 GLU A 40 8.924 6.189 0.531 1.00 73.13 H new ATOM 0 HB3 GLU A 40 8.678 6.518 -1.173 1.00 73.13 H new ATOM 0 HG2 GLU A 40 11.016 5.864 -0.618 1.00 64.44 H new ATOM 0 HG3 GLU A 40 10.900 7.422 -1.411 1.00 64.44 H new ATOM 647 N LEU A 41 6.873 8.542 -1.607 1.00 5.50 N ATOM 648 CA LEU A 41 6.255 9.109 -2.799 1.00 5.35 C ATOM 649 C LEU A 41 6.245 10.633 -2.737 1.00 54.44 C ATOM 650 O LEU A 41 6.595 11.306 -3.706 1.00 31.21 O ATOM 651 CB LEU A 41 4.825 8.587 -2.956 1.00 71.43 C ATOM 652 CG LEU A 41 4.684 7.194 -3.573 1.00 0.22 C ATOM 653 CD1 LEU A 41 3.228 6.757 -3.573 1.00 64.42 C ATOM 654 CD2 LEU A 41 5.247 7.178 -4.987 1.00 54.45 C ATOM 0 H LEU A 41 6.313 7.828 -1.141 1.00 5.50 H new ATOM 0 HA LEU A 41 6.845 8.802 -3.662 1.00 5.35 H new ATOM 0 HB2 LEU A 41 4.353 8.577 -1.974 1.00 71.43 H new ATOM 0 HB3 LEU A 41 4.267 9.293 -3.571 1.00 71.43 H new ATOM 0 HG LEU A 41 5.254 6.489 -2.968 1.00 0.22 H new ATOM 0 HD11 LEU A 41 3.146 5.764 -4.015 1.00 64.42 H new ATOM 0 HD12 LEU A 41 2.856 6.730 -2.549 1.00 64.42 H new ATOM 0 HD13 LEU A 41 2.636 7.463 -4.155 1.00 64.42 H new ATOM 0 HD21 LEU A 41 5.138 6.180 -5.411 1.00 54.45 H new ATOM 0 HD22 LEU A 41 4.704 7.895 -5.603 1.00 54.45 H new ATOM 0 HD23 LEU A 41 6.303 7.448 -4.961 1.00 54.45 H new ATOM 666 N GLU A 42 5.846 11.171 -1.588 1.00 13.23 N ATOM 667 CA GLU A 42 5.794 12.616 -1.398 1.00 24.44 C ATOM 668 C GLU A 42 7.116 13.265 -1.798 1.00 63.50 C ATOM 669 O GLU A 42 7.147 14.414 -2.240 1.00 33.41 O ATOM 670 CB GLU A 42 5.469 12.950 0.059 1.00 44.23 C ATOM 671 CG GLU A 42 4.188 13.751 0.229 1.00 34.41 C ATOM 672 CD GLU A 42 3.460 13.419 1.516 1.00 43.31 C ATOM 673 OE1 GLU A 42 4.057 12.744 2.380 1.00 4.11 O ATOM 674 OE2 GLU A 42 2.291 13.836 1.660 1.00 12.53 O ATOM 0 H GLU A 42 5.554 10.628 -0.775 1.00 13.23 H new ATOM 0 HA GLU A 42 5.006 13.013 -2.038 1.00 24.44 H new ATOM 0 HB2 GLU A 42 5.386 12.023 0.626 1.00 44.23 H new ATOM 0 HB3 GLU A 42 6.299 13.512 0.488 1.00 44.23 H new ATOM 0 HG2 GLU A 42 4.424 14.815 0.214 1.00 34.41 H new ATOM 0 HG3 GLU A 42 3.528 13.559 -0.617 1.00 34.41 H new ATOM 681 N ARG A 43 8.206 12.521 -1.638 1.00 61.02 N ATOM 682 CA ARG A 43 9.531 13.024 -1.979 1.00 30.32 C ATOM 683 C ARG A 43 9.766 12.958 -3.486 1.00 64.53 C ATOM 684 O ARG A 43 10.469 13.793 -4.053 1.00 54.52 O ATOM 685 CB ARG A 43 10.608 12.221 -1.248 1.00 32.34 C ATOM 686 CG ARG A 43 11.720 13.080 -0.669 1.00 40.34 C ATOM 687 CD ARG A 43 13.038 12.848 -1.390 1.00 61.23 C ATOM 688 NE ARG A 43 13.750 14.096 -1.646 1.00 3.24 N ATOM 689 CZ ARG A 43 14.694 14.228 -2.572 1.00 22.41 C ATOM 690 NH1 ARG A 43 15.037 13.192 -3.325 1.00 34.20 N ATOM 691 NH2 ARG A 43 15.296 15.397 -2.746 1.00 13.23 N ATOM 0 H ARG A 43 8.197 11.568 -1.274 1.00 61.02 H new ATOM 0 HA ARG A 43 9.589 14.066 -1.665 1.00 30.32 H new ATOM 0 HB2 ARG A 43 10.142 11.653 -0.443 1.00 32.34 H new ATOM 0 HB3 ARG A 43 11.041 11.498 -1.939 1.00 32.34 H new ATOM 0 HG2 ARG A 43 11.444 14.132 -0.743 1.00 40.34 H new ATOM 0 HG3 ARG A 43 11.840 12.856 0.391 1.00 40.34 H new ATOM 0 HD2 ARG A 43 13.667 12.188 -0.792 1.00 61.23 H new ATOM 0 HD3 ARG A 43 12.849 12.338 -2.335 1.00 61.23 H new ATOM 0 HE ARG A 43 13.510 14.912 -1.083 1.00 3.24 H new ATOM 0 HH11 ARG A 43 14.576 12.292 -3.194 1.00 34.20 H new ATOM 0 HH12 ARG A 43 15.762 13.295 -4.035 1.00 34.20 H new ATOM 0 HH21 ARG A 43 15.035 16.196 -2.169 1.00 13.23 H new ATOM 0 HH22 ARG A 43 16.020 15.497 -3.457 1.00 13.23 H new ATOM 705 N PHE A 44 9.173 11.956 -4.128 1.00 24.03 N ATOM 706 CA PHE A 44 9.319 11.779 -5.568 1.00 30.14 C ATOM 707 C PHE A 44 8.272 12.592 -6.325 1.00 14.11 C ATOM 708 O PHE A 44 7.854 12.219 -7.421 1.00 74.32 O ATOM 709 CB PHE A 44 9.195 10.299 -5.936 1.00 21.33 C ATOM 710 CG PHE A 44 10.481 9.536 -5.793 1.00 2.41 C ATOM 711 CD1 PHE A 44 11.541 9.771 -6.655 1.00 62.12 C ATOM 712 CD2 PHE A 44 10.630 8.585 -4.798 1.00 74.32 C ATOM 713 CE1 PHE A 44 12.725 9.071 -6.526 1.00 60.11 C ATOM 714 CE2 PHE A 44 11.812 7.882 -4.663 1.00 54.41 C ATOM 715 CZ PHE A 44 12.861 8.125 -5.529 1.00 33.30 C ATOM 0 H PHE A 44 8.587 11.255 -3.674 1.00 24.03 H new ATOM 0 HA PHE A 44 10.308 12.136 -5.854 1.00 30.14 H new ATOM 0 HB2 PHE A 44 8.436 9.838 -5.304 1.00 21.33 H new ATOM 0 HB3 PHE A 44 8.846 10.217 -6.965 1.00 21.33 H new ATOM 0 HD1 PHE A 44 11.440 10.510 -7.436 1.00 62.12 H new ATOM 0 HD2 PHE A 44 9.813 8.390 -4.119 1.00 74.32 H new ATOM 0 HE1 PHE A 44 13.543 9.263 -7.204 1.00 60.11 H new ATOM 0 HE2 PHE A 44 11.916 7.144 -3.882 1.00 54.41 H new ATOM 0 HZ PHE A 44 13.785 7.576 -5.426 1.00 33.30 H new ATOM 725 N ALA A 45 7.854 13.705 -5.732 1.00 70.21 N ATOM 726 CA ALA A 45 6.857 14.572 -6.349 1.00 55.12 C ATOM 727 C ALA A 45 5.587 13.798 -6.681 1.00 24.54 C ATOM 728 O ALA A 45 4.777 14.236 -7.499 1.00 23.21 O ATOM 729 CB ALA A 45 7.427 15.219 -7.603 1.00 10.30 C ATOM 0 H ALA A 45 8.190 14.028 -4.825 1.00 70.21 H new ATOM 0 HA ALA A 45 6.598 15.354 -5.635 1.00 55.12 H new ATOM 0 HB1 ALA A 45 6.673 15.864 -8.055 1.00 10.30 H new ATOM 0 HB2 ALA A 45 8.302 15.813 -7.340 1.00 10.30 H new ATOM 0 HB3 ALA A 45 7.714 14.444 -8.314 1.00 10.30 H new ATOM 735 N VAL A 46 5.418 12.644 -6.044 1.00 63.42 N ATOM 736 CA VAL A 46 4.245 11.809 -6.272 1.00 25.33 C ATOM 737 C VAL A 46 3.287 11.872 -5.088 1.00 45.50 C ATOM 738 O VAL A 46 3.625 11.459 -3.980 1.00 45.30 O ATOM 739 CB VAL A 46 4.641 10.340 -6.519 1.00 11.34 C ATOM 740 CG1 VAL A 46 3.413 9.442 -6.478 1.00 54.42 C ATOM 741 CG2 VAL A 46 5.368 10.202 -7.849 1.00 43.15 C ATOM 0 H VAL A 46 6.079 12.266 -5.366 1.00 63.42 H new ATOM 0 HA VAL A 46 3.747 12.198 -7.160 1.00 25.33 H new ATOM 0 HB VAL A 46 5.319 10.025 -5.725 1.00 11.34 H new ATOM 0 HG11 VAL A 46 3.712 8.409 -6.654 1.00 54.42 H new ATOM 0 HG12 VAL A 46 2.937 9.520 -5.500 1.00 54.42 H new ATOM 0 HG13 VAL A 46 2.709 9.753 -7.250 1.00 54.42 H new ATOM 0 HG21 VAL A 46 5.641 9.159 -8.008 1.00 43.15 H new ATOM 0 HG22 VAL A 46 4.715 10.534 -8.657 1.00 43.15 H new ATOM 0 HG23 VAL A 46 6.269 10.815 -7.836 1.00 43.15 H new ATOM 751 N ASN A 47 2.088 12.392 -5.331 1.00 14.22 N ATOM 752 CA ASN A 47 1.079 12.511 -4.286 1.00 72.04 C ATOM 753 C ASN A 47 0.757 11.146 -3.683 1.00 54.24 C ATOM 754 O ASN A 47 0.573 10.155 -4.390 1.00 15.23 O ATOM 755 CB ASN A 47 -0.195 13.146 -4.845 1.00 53.20 C ATOM 756 CG ASN A 47 0.037 14.558 -5.351 1.00 62.11 C ATOM 757 OD1 ASN A 47 0.705 15.360 -4.699 1.00 70.10 O ATOM 758 ND2 ASN A 47 -0.516 14.866 -6.518 1.00 11.03 N ATOM 0 H ASN A 47 1.792 12.738 -6.244 1.00 14.22 H new ATOM 0 HA ASN A 47 1.481 13.151 -3.501 1.00 72.04 H new ATOM 0 HB2 ASN A 47 -0.578 12.530 -5.658 1.00 53.20 H new ATOM 0 HB3 ASN A 47 -0.960 13.162 -4.069 1.00 53.20 H new ATOM 0 HD21 ASN A 47 -0.395 15.800 -6.909 1.00 11.03 H new ATOM 0 HD22 ASN A 47 -1.062 14.168 -7.024 1.00 11.03 H new ATOM 765 N PRO A 48 0.688 11.092 -2.344 1.00 5.13 N ATOM 766 CA PRO A 48 0.387 9.855 -1.617 1.00 31.32 C ATOM 767 C PRO A 48 -1.058 9.407 -1.809 1.00 75.40 C ATOM 768 O PRO A 48 -1.467 8.362 -1.303 1.00 14.00 O ATOM 769 CB PRO A 48 0.640 10.233 -0.156 1.00 32.20 C ATOM 770 CG PRO A 48 0.439 11.708 -0.106 1.00 53.05 C ATOM 771 CD PRO A 48 0.895 12.234 -1.438 1.00 35.22 C ATOM 0 HA PRO A 48 0.992 9.019 -1.966 1.00 31.32 H new ATOM 0 HB2 PRO A 48 -0.050 9.717 0.512 1.00 32.20 H new ATOM 0 HB3 PRO A 48 1.649 9.960 0.155 1.00 32.20 H new ATOM 0 HG2 PRO A 48 -0.608 11.953 0.073 1.00 53.05 H new ATOM 0 HG3 PRO A 48 1.014 12.153 0.707 1.00 53.05 H new ATOM 0 HD2 PRO A 48 0.314 13.103 -1.747 1.00 35.22 H new ATOM 0 HD3 PRO A 48 1.940 12.542 -1.412 1.00 35.22 H new ATOM 779 N GLY A 49 -1.828 10.203 -2.545 1.00 62.15 N ATOM 780 CA GLY A 49 -3.218 9.870 -2.790 1.00 64.12 C ATOM 781 C GLY A 49 -3.394 8.959 -3.988 1.00 12.05 C ATOM 782 O GLY A 49 -4.486 8.443 -4.231 1.00 14.14 O ATOM 0 H GLY A 49 -1.513 11.072 -2.976 1.00 62.15 H new ATOM 0 HA2 GLY A 49 -3.634 9.387 -1.906 1.00 64.12 H new ATOM 0 HA3 GLY A 49 -3.785 10.787 -2.948 1.00 64.12 H new ATOM 786 N LEU A 50 -2.318 8.760 -4.742 1.00 42.54 N ATOM 787 CA LEU A 50 -2.357 7.906 -5.923 1.00 32.14 C ATOM 788 C LEU A 50 -2.128 6.446 -5.547 1.00 43.13 C ATOM 789 O LEU A 50 -1.810 5.616 -6.399 1.00 24.34 O ATOM 790 CB LEU A 50 -1.303 8.354 -6.937 1.00 55.52 C ATOM 791 CG LEU A 50 -1.262 9.852 -7.245 1.00 71.32 C ATOM 792 CD1 LEU A 50 0.113 10.254 -7.754 1.00 10.43 C ATOM 793 CD2 LEU A 50 -2.337 10.216 -8.259 1.00 15.42 C ATOM 0 H LEU A 50 -1.407 9.179 -4.556 1.00 42.54 H new ATOM 0 HA LEU A 50 -3.346 7.996 -6.373 1.00 32.14 H new ATOM 0 HB2 LEU A 50 -0.322 8.052 -6.569 1.00 55.52 H new ATOM 0 HB3 LEU A 50 -1.473 7.816 -7.870 1.00 55.52 H new ATOM 0 HG LEU A 50 -1.459 10.400 -6.324 1.00 71.32 H new ATOM 0 HD11 LEU A 50 0.124 11.323 -7.968 1.00 10.43 H new ATOM 0 HD12 LEU A 50 0.862 10.028 -6.995 1.00 10.43 H new ATOM 0 HD13 LEU A 50 0.340 9.699 -8.664 1.00 10.43 H new ATOM 0 HD21 LEU A 50 -2.294 11.285 -8.467 1.00 15.42 H new ATOM 0 HD22 LEU A 50 -2.170 9.660 -9.182 1.00 15.42 H new ATOM 0 HD23 LEU A 50 -3.318 9.964 -7.856 1.00 15.42 H new ATOM 805 N LEU A 51 -2.296 6.137 -4.265 1.00 14.41 N ATOM 806 CA LEU A 51 -2.110 4.776 -3.775 1.00 54.40 C ATOM 807 C LEU A 51 -3.444 4.156 -3.371 1.00 53.33 C ATOM 808 O LEU A 51 -3.548 2.942 -3.204 1.00 50.10 O ATOM 809 CB LEU A 51 -1.148 4.768 -2.586 1.00 40.14 C ATOM 810 CG LEU A 51 0.245 5.342 -2.845 1.00 53.20 C ATOM 811 CD1 LEU A 51 0.995 5.535 -1.536 1.00 61.31 C ATOM 812 CD2 LEU A 51 1.030 4.437 -3.782 1.00 21.24 C ATOM 0 H LEU A 51 -2.561 6.811 -3.547 1.00 14.41 H new ATOM 0 HA LEU A 51 -1.684 4.180 -4.582 1.00 54.40 H new ATOM 0 HB2 LEU A 51 -1.605 5.330 -1.771 1.00 40.14 H new ATOM 0 HB3 LEU A 51 -1.037 3.740 -2.241 1.00 40.14 H new ATOM 0 HG LEU A 51 0.132 6.315 -3.323 1.00 53.20 H new ATOM 0 HD11 LEU A 51 1.984 5.944 -1.740 1.00 61.31 H new ATOM 0 HD12 LEU A 51 0.442 6.224 -0.898 1.00 61.31 H new ATOM 0 HD13 LEU A 51 1.097 4.575 -1.030 1.00 61.31 H new ATOM 0 HD21 LEU A 51 2.019 4.862 -3.955 1.00 21.24 H new ATOM 0 HD22 LEU A 51 1.133 3.449 -3.332 1.00 21.24 H new ATOM 0 HD23 LEU A 51 0.502 4.350 -4.731 1.00 21.24 H new ATOM 824 N GLU A 52 -4.460 5.000 -3.216 1.00 75.41 N ATOM 825 CA GLU A 52 -5.786 4.534 -2.832 1.00 60.20 C ATOM 826 C GLU A 52 -6.488 3.860 -4.008 1.00 33.34 C ATOM 827 O GLU A 52 -7.283 2.937 -3.827 1.00 35.20 O ATOM 828 CB GLU A 52 -6.633 5.701 -2.320 1.00 2.23 C ATOM 829 CG GLU A 52 -7.133 6.619 -3.422 1.00 3.45 C ATOM 830 CD GLU A 52 -7.375 8.035 -2.937 1.00 65.30 C ATOM 831 OE1 GLU A 52 -6.441 8.636 -2.366 1.00 23.55 O ATOM 832 OE2 GLU A 52 -8.500 8.544 -3.128 1.00 23.33 O ATOM 0 H GLU A 52 -4.389 6.009 -3.351 1.00 75.41 H new ATOM 0 HA GLU A 52 -5.668 3.802 -2.033 1.00 60.20 H new ATOM 0 HB2 GLU A 52 -7.488 5.305 -1.772 1.00 2.23 H new ATOM 0 HB3 GLU A 52 -6.043 6.284 -1.613 1.00 2.23 H new ATOM 0 HG2 GLU A 52 -6.405 6.636 -4.233 1.00 3.45 H new ATOM 0 HG3 GLU A 52 -8.059 6.216 -3.833 1.00 3.45 H new ATOM 839 N THR A 53 -6.188 4.329 -5.215 1.00 24.15 N ATOM 840 CA THR A 53 -6.790 3.774 -6.422 1.00 45.51 C ATOM 841 C THR A 53 -5.764 3.004 -7.245 1.00 40.23 C ATOM 842 O THR A 53 -4.646 3.475 -7.458 1.00 21.44 O ATOM 843 CB THR A 53 -7.410 4.878 -7.298 1.00 25.34 C ATOM 844 OG1 THR A 53 -6.432 5.387 -8.211 1.00 54.35 O ATOM 845 CG2 THR A 53 -7.950 6.013 -6.440 1.00 63.41 C ATOM 0 H THR A 53 -5.532 5.092 -5.383 1.00 24.15 H new ATOM 0 HA THR A 53 -7.576 3.092 -6.098 1.00 45.51 H new ATOM 0 HB THR A 53 -8.238 4.443 -7.858 1.00 25.34 H new ATOM 0 HG1 THR A 53 -6.835 6.087 -8.765 1.00 54.35 H new ATOM 0 HG21 THR A 53 -8.383 6.780 -7.082 1.00 63.41 H new ATOM 0 HG22 THR A 53 -8.717 5.628 -5.768 1.00 63.41 H new ATOM 0 HG23 THR A 53 -7.138 6.445 -5.855 1.00 63.41 H new ATOM 853 N SER A 54 -6.150 1.819 -7.704 1.00 33.43 N ATOM 854 CA SER A 54 -5.262 0.981 -8.502 1.00 52.40 C ATOM 855 C SER A 54 -4.785 1.726 -9.746 1.00 14.54 C ATOM 856 O SER A 54 -3.714 1.440 -10.281 1.00 42.22 O ATOM 857 CB SER A 54 -5.972 -0.311 -8.908 1.00 33.23 C ATOM 858 OG SER A 54 -6.265 -0.318 -10.295 1.00 1.33 O ATOM 0 H SER A 54 -7.072 1.417 -7.537 1.00 33.43 H new ATOM 0 HA SER A 54 -4.393 0.732 -7.893 1.00 52.40 H new ATOM 0 HB2 SER A 54 -5.344 -1.167 -8.661 1.00 33.23 H new ATOM 0 HB3 SER A 54 -6.895 -0.417 -8.338 1.00 33.23 H new ATOM 0 HG SER A 54 -6.717 -1.155 -10.530 1.00 1.33 H new ATOM 864 N GLU A 55 -5.589 2.682 -10.201 1.00 42.24 N ATOM 865 CA GLU A 55 -5.251 3.468 -11.382 1.00 63.42 C ATOM 866 C GLU A 55 -4.059 4.378 -11.106 1.00 54.44 C ATOM 867 O GLU A 55 -3.231 4.620 -11.984 1.00 62.33 O ATOM 868 CB GLU A 55 -6.453 4.303 -11.827 1.00 10.11 C ATOM 869 CG GLU A 55 -6.922 3.989 -13.239 1.00 44.43 C ATOM 870 CD GLU A 55 -5.992 4.544 -14.299 1.00 33.34 C ATOM 871 OE1 GLU A 55 -5.999 5.775 -14.509 1.00 22.30 O ATOM 872 OE2 GLU A 55 -5.256 3.747 -14.920 1.00 63.05 O ATOM 0 H GLU A 55 -6.479 2.931 -9.770 1.00 42.24 H new ATOM 0 HA GLU A 55 -4.982 2.778 -12.182 1.00 63.42 H new ATOM 0 HB2 GLU A 55 -7.277 4.136 -11.134 1.00 10.11 H new ATOM 0 HB3 GLU A 55 -6.194 5.360 -11.766 1.00 10.11 H new ATOM 0 HG2 GLU A 55 -7.001 2.909 -13.360 1.00 44.43 H new ATOM 0 HG3 GLU A 55 -7.921 4.400 -13.386 1.00 44.43 H new ATOM 879 N GLY A 56 -3.978 4.883 -9.878 1.00 72.02 N ATOM 880 CA GLY A 56 -2.885 5.763 -9.508 1.00 62.52 C ATOM 881 C GLY A 56 -1.530 5.103 -9.667 1.00 60.44 C ATOM 882 O GLY A 56 -0.611 5.685 -10.245 1.00 5.34 O ATOM 0 H GLY A 56 -4.650 4.698 -9.133 1.00 72.02 H new ATOM 0 HA2 GLY A 56 -2.922 6.662 -10.123 1.00 62.52 H new ATOM 0 HA3 GLY A 56 -3.012 6.080 -8.473 1.00 62.52 H new ATOM 886 N CYS A 57 -1.403 3.885 -9.152 1.00 24.32 N ATOM 887 CA CYS A 57 -0.148 3.145 -9.238 1.00 25.33 C ATOM 888 C CYS A 57 0.290 2.986 -10.690 1.00 61.13 C ATOM 889 O CYS A 57 1.432 3.282 -11.040 1.00 74.45 O ATOM 890 CB CYS A 57 -0.298 1.771 -8.584 1.00 75.34 C ATOM 891 SG CYS A 57 -0.199 1.799 -6.778 1.00 31.25 S ATOM 0 H CYS A 57 -2.153 3.389 -8.671 1.00 24.32 H new ATOM 0 HA CYS A 57 0.617 3.711 -8.707 1.00 25.33 H new ATOM 0 HB2 CYS A 57 -1.256 1.343 -8.878 1.00 75.34 H new ATOM 0 HB3 CYS A 57 0.478 1.110 -8.970 1.00 75.34 H new ATOM 0 HG CYS A 57 -0.339 0.592 -6.317 1.00 31.25 H new ATOM 897 N ARG A 58 -0.625 2.515 -11.531 1.00 61.53 N ATOM 898 CA ARG A 58 -0.331 2.312 -12.944 1.00 2.32 C ATOM 899 C ARG A 58 0.470 3.483 -13.506 1.00 53.12 C ATOM 900 O ARG A 58 1.331 3.302 -14.365 1.00 33.34 O ATOM 901 CB ARG A 58 -1.629 2.142 -13.738 1.00 53.15 C ATOM 902 CG ARG A 58 -1.505 1.183 -14.910 1.00 43.11 C ATOM 903 CD ARG A 58 -1.882 1.854 -16.221 1.00 62.15 C ATOM 904 NE ARG A 58 -2.423 0.902 -17.187 1.00 64.41 N ATOM 905 CZ ARG A 58 -3.668 0.439 -17.145 1.00 34.20 C ATOM 906 NH1 ARG A 58 -4.496 0.839 -16.189 1.00 33.13 N ATOM 907 NH2 ARG A 58 -4.087 -0.426 -18.060 1.00 53.10 N ATOM 0 H ARG A 58 -1.576 2.267 -11.258 1.00 61.53 H new ATOM 0 HA ARG A 58 0.267 1.405 -13.038 1.00 2.32 H new ATOM 0 HB2 ARG A 58 -2.411 1.784 -13.068 1.00 53.15 H new ATOM 0 HB3 ARG A 58 -1.948 3.116 -14.109 1.00 53.15 H new ATOM 0 HG2 ARG A 58 -0.482 0.812 -14.971 1.00 43.11 H new ATOM 0 HG3 ARG A 58 -2.148 0.319 -14.744 1.00 43.11 H new ATOM 0 HD2 ARG A 58 -2.618 2.635 -16.030 1.00 62.15 H new ATOM 0 HD3 ARG A 58 -1.004 2.341 -16.645 1.00 62.15 H new ATOM 0 HE ARG A 58 -1.812 0.574 -17.935 1.00 64.41 H new ATOM 0 HH11 ARG A 58 -4.178 1.504 -15.484 1.00 33.13 H new ATOM 0 HH12 ARG A 58 -5.451 0.482 -16.159 1.00 33.13 H new ATOM 0 HH21 ARG A 58 -3.453 -0.736 -18.797 1.00 53.10 H new ATOM 0 HH22 ARG A 58 -5.043 -0.781 -18.027 1.00 53.10 H new ATOM 921 N GLN A 59 0.179 4.683 -13.014 1.00 42.33 N ATOM 922 CA GLN A 59 0.873 5.883 -13.468 1.00 63.32 C ATOM 923 C GLN A 59 2.158 6.101 -12.676 1.00 20.42 C ATOM 924 O GLN A 59 3.189 6.471 -13.239 1.00 61.20 O ATOM 925 CB GLN A 59 -0.037 7.105 -13.332 1.00 1.14 C ATOM 926 CG GLN A 59 0.549 8.370 -13.937 1.00 1.21 C ATOM 927 CD GLN A 59 0.600 9.520 -12.951 1.00 3.11 C ATOM 928 OE1 GLN A 59 -0.340 10.310 -12.852 1.00 42.04 O ATOM 929 NE2 GLN A 59 1.699 9.619 -12.213 1.00 50.13 N ATOM 0 H GLN A 59 -0.532 4.850 -12.302 1.00 42.33 H new ATOM 0 HA GLN A 59 1.133 5.747 -14.518 1.00 63.32 H new ATOM 0 HB2 GLN A 59 -0.992 6.892 -13.812 1.00 1.14 H new ATOM 0 HB3 GLN A 59 -0.243 7.279 -12.276 1.00 1.14 H new ATOM 0 HG2 GLN A 59 1.556 8.162 -14.299 1.00 1.21 H new ATOM 0 HG3 GLN A 59 -0.046 8.664 -14.802 1.00 1.21 H new ATOM 0 HE21 GLN A 59 2.453 8.942 -12.328 1.00 50.13 H new ATOM 0 HE22 GLN A 59 1.789 10.372 -11.531 1.00 50.13 H new ATOM 938 N ILE A 60 2.088 5.871 -11.369 1.00 53.11 N ATOM 939 CA ILE A 60 3.246 6.042 -10.502 1.00 74.12 C ATOM 940 C ILE A 60 4.396 5.138 -10.934 1.00 34.40 C ATOM 941 O ILE A 60 5.566 5.449 -10.703 1.00 20.42 O ATOM 942 CB ILE A 60 2.898 5.743 -9.032 1.00 62.03 C ATOM 943 CG1 ILE A 60 1.756 6.646 -8.561 1.00 4.15 C ATOM 944 CG2 ILE A 60 4.123 5.927 -8.149 1.00 71.31 C ATOM 945 CD1 ILE A 60 0.884 6.014 -7.500 1.00 73.35 C ATOM 0 H ILE A 60 1.242 5.566 -10.888 1.00 53.11 H new ATOM 0 HA ILE A 60 3.554 7.084 -10.590 1.00 74.12 H new ATOM 0 HB ILE A 60 2.572 4.706 -8.956 1.00 62.03 H new ATOM 0 HG12 ILE A 60 2.175 7.574 -8.170 1.00 4.15 H new ATOM 0 HG13 ILE A 60 1.137 6.912 -9.418 1.00 4.15 H new ATOM 0 HG21 ILE A 60 3.860 5.712 -7.113 1.00 71.31 H new ATOM 0 HG22 ILE A 60 4.910 5.246 -8.473 1.00 71.31 H new ATOM 0 HG23 ILE A 60 4.477 6.955 -8.228 1.00 71.31 H new ATOM 0 HD11 ILE A 60 0.096 6.711 -7.214 1.00 73.35 H new ATOM 0 HD12 ILE A 60 0.436 5.101 -7.893 1.00 73.35 H new ATOM 0 HD13 ILE A 60 1.490 5.774 -6.627 1.00 73.35 H new ATOM 957 N LEU A 61 4.056 4.019 -11.564 1.00 24.42 N ATOM 958 CA LEU A 61 5.059 3.069 -12.032 1.00 75.43 C ATOM 959 C LEU A 61 5.589 3.468 -13.405 1.00 3.45 C ATOM 960 O LEU A 61 6.682 3.067 -13.801 1.00 32.02 O ATOM 961 CB LEU A 61 4.468 1.660 -12.091 1.00 10.00 C ATOM 962 CG LEU A 61 4.014 1.065 -10.756 1.00 0.14 C ATOM 963 CD1 LEU A 61 2.724 0.280 -10.933 1.00 33.34 C ATOM 964 CD2 LEU A 61 5.104 0.180 -10.170 1.00 52.14 C ATOM 0 H LEU A 61 3.093 3.747 -11.763 1.00 24.42 H new ATOM 0 HA LEU A 61 5.889 3.079 -11.326 1.00 75.43 H new ATOM 0 HB2 LEU A 61 3.614 1.674 -12.769 1.00 10.00 H new ATOM 0 HB3 LEU A 61 5.212 0.994 -12.529 1.00 10.00 H new ATOM 0 HG LEU A 61 3.824 1.882 -10.060 1.00 0.14 H new ATOM 0 HD11 LEU A 61 2.416 -0.136 -9.973 1.00 33.34 H new ATOM 0 HD12 LEU A 61 1.944 0.942 -11.308 1.00 33.34 H new ATOM 0 HD13 LEU A 61 2.886 -0.530 -11.644 1.00 33.34 H new ATOM 0 HD21 LEU A 61 4.765 -0.235 -9.221 1.00 52.14 H new ATOM 0 HD22 LEU A 61 5.325 -0.632 -10.863 1.00 52.14 H new ATOM 0 HD23 LEU A 61 6.004 0.772 -10.006 1.00 52.14 H new ATOM 976 N GLY A 62 4.806 4.264 -14.127 1.00 73.41 N ATOM 977 CA GLY A 62 5.214 4.706 -15.448 1.00 54.40 C ATOM 978 C GLY A 62 6.331 5.730 -15.397 1.00 70.50 C ATOM 979 O GLY A 62 7.161 5.797 -16.304 1.00 40.53 O ATOM 0 H GLY A 62 3.897 4.611 -13.821 1.00 73.41 H new ATOM 0 HA2 GLY A 62 5.541 3.845 -16.031 1.00 54.40 H new ATOM 0 HA3 GLY A 62 4.356 5.134 -15.966 1.00 54.40 H new ATOM 983 N GLN A 63 6.351 6.529 -14.335 1.00 4.40 N ATOM 984 CA GLN A 63 7.374 7.556 -14.172 1.00 63.33 C ATOM 985 C GLN A 63 8.707 6.937 -13.766 1.00 31.55 C ATOM 986 O GLN A 63 9.748 7.243 -14.348 1.00 12.41 O ATOM 987 CB GLN A 63 6.934 8.581 -13.125 1.00 12.41 C ATOM 988 CG GLN A 63 6.521 9.918 -13.719 1.00 40.22 C ATOM 989 CD GLN A 63 7.709 10.764 -14.136 1.00 25.24 C ATOM 990 OE1 GLN A 63 8.855 10.321 -14.068 1.00 72.03 O ATOM 991 NE2 GLN A 63 7.438 11.988 -14.573 1.00 34.43 N ATOM 0 H GLN A 63 5.672 6.485 -13.575 1.00 4.40 H new ATOM 0 HA GLN A 63 7.505 8.059 -15.130 1.00 63.33 H new ATOM 0 HB2 GLN A 63 6.099 8.172 -12.557 1.00 12.41 H new ATOM 0 HB3 GLN A 63 7.750 8.742 -12.421 1.00 12.41 H new ATOM 0 HG2 GLN A 63 5.882 9.745 -14.585 1.00 40.22 H new ATOM 0 HG3 GLN A 63 5.927 10.468 -12.989 1.00 40.22 H new ATOM 0 HE21 GLN A 63 6.472 12.313 -14.612 1.00 34.43 H new ATOM 0 HE22 GLN A 63 8.196 12.603 -14.870 1.00 34.43 H new ATOM 1000 N LEU A 64 8.668 6.064 -12.765 1.00 14.51 N ATOM 1001 CA LEU A 64 9.874 5.402 -12.280 1.00 4.04 C ATOM 1002 C LEU A 64 10.312 4.300 -13.241 1.00 53.23 C ATOM 1003 O LEU A 64 11.480 3.912 -13.261 1.00 64.10 O ATOM 1004 CB LEU A 64 9.633 4.815 -10.889 1.00 54.50 C ATOM 1005 CG LEU A 64 8.872 5.706 -9.907 1.00 5.01 C ATOM 1006 CD1 LEU A 64 8.576 4.952 -8.620 1.00 55.55 C ATOM 1007 CD2 LEU A 64 9.660 6.975 -9.616 1.00 11.33 C ATOM 0 H LEU A 64 7.815 5.798 -12.274 1.00 14.51 H new ATOM 0 HA LEU A 64 10.669 6.145 -12.220 1.00 4.04 H new ATOM 0 HB2 LEU A 64 9.084 3.880 -11.001 1.00 54.50 H new ATOM 0 HB3 LEU A 64 10.599 4.566 -10.449 1.00 54.50 H new ATOM 0 HG LEU A 64 7.924 5.989 -10.364 1.00 5.01 H new ATOM 0 HD11 LEU A 64 8.034 5.603 -7.934 1.00 55.55 H new ATOM 0 HD12 LEU A 64 7.969 4.075 -8.844 1.00 55.55 H new ATOM 0 HD13 LEU A 64 9.512 4.638 -8.159 1.00 55.55 H new ATOM 0 HD21 LEU A 64 9.103 7.597 -8.915 1.00 11.33 H new ATOM 0 HD22 LEU A 64 10.624 6.713 -9.181 1.00 11.33 H new ATOM 0 HD23 LEU A 64 9.818 7.526 -10.543 1.00 11.33 H new ATOM 1019 N GLN A 65 9.370 3.805 -14.034 1.00 21.32 N ATOM 1020 CA GLN A 65 9.660 2.749 -14.997 1.00 4.23 C ATOM 1021 C GLN A 65 10.909 3.079 -15.806 1.00 35.25 C ATOM 1022 O GLN A 65 11.902 2.350 -15.787 1.00 23.31 O ATOM 1023 CB GLN A 65 8.469 2.544 -15.936 1.00 50.40 C ATOM 1024 CG GLN A 65 8.857 1.999 -17.301 1.00 74.00 C ATOM 1025 CD GLN A 65 9.701 0.743 -17.209 1.00 31.13 C ATOM 1026 OE1 GLN A 65 9.437 -0.138 -16.390 1.00 20.13 O ATOM 1027 NE2 GLN A 65 10.724 0.653 -18.052 1.00 53.12 N ATOM 0 H GLN A 65 8.399 4.117 -14.030 1.00 21.32 H new ATOM 0 HA GLN A 65 9.840 1.827 -14.444 1.00 4.23 H new ATOM 0 HB2 GLN A 65 7.762 1.859 -15.468 1.00 50.40 H new ATOM 0 HB3 GLN A 65 7.952 3.495 -16.067 1.00 50.40 H new ATOM 0 HG2 GLN A 65 7.954 1.784 -17.872 1.00 74.00 H new ATOM 0 HG3 GLN A 65 9.408 2.763 -17.850 1.00 74.00 H new ATOM 0 HE21 GLN A 65 10.907 1.407 -18.715 1.00 53.12 H new ATOM 0 HE22 GLN A 65 11.327 -0.170 -18.037 1.00 53.12 H new ATOM 1036 N PRO A 66 10.863 4.204 -16.536 1.00 61.42 N ATOM 1037 CA PRO A 66 11.983 4.656 -17.365 1.00 15.24 C ATOM 1038 C PRO A 66 13.169 5.130 -16.531 1.00 42.40 C ATOM 1039 O PRO A 66 14.200 5.530 -17.071 1.00 50.21 O ATOM 1040 CB PRO A 66 11.389 5.821 -18.160 1.00 4.30 C ATOM 1041 CG PRO A 66 10.270 6.324 -17.315 1.00 53.02 C ATOM 1042 CD PRO A 66 9.713 5.121 -16.607 1.00 64.32 C ATOM 0 HA PRO A 66 12.377 3.854 -17.988 1.00 15.24 H new ATOM 0 HB2 PRO A 66 12.132 6.599 -18.337 1.00 4.30 H new ATOM 0 HB3 PRO A 66 11.032 5.493 -19.136 1.00 4.30 H new ATOM 0 HG2 PRO A 66 10.624 7.068 -16.601 1.00 53.02 H new ATOM 0 HG3 PRO A 66 9.506 6.806 -17.925 1.00 53.02 H new ATOM 0 HD2 PRO A 66 9.340 5.376 -15.615 1.00 64.32 H new ATOM 0 HD3 PRO A 66 8.881 4.681 -17.157 1.00 64.32 H new ATOM 1050 N SER A 67 13.014 5.082 -15.212 1.00 2.12 N ATOM 1051 CA SER A 67 14.071 5.510 -14.302 1.00 3.13 C ATOM 1052 C SER A 67 14.716 4.309 -13.617 1.00 54.52 C ATOM 1053 O SER A 67 15.780 4.426 -13.006 1.00 3.21 O ATOM 1054 CB SER A 67 13.510 6.471 -13.252 1.00 11.13 C ATOM 1055 OG SER A 67 13.246 7.744 -13.815 1.00 11.02 O ATOM 0 H SER A 67 12.167 4.751 -14.749 1.00 2.12 H new ATOM 0 HA SER A 67 14.833 6.026 -14.886 1.00 3.13 H new ATOM 0 HB2 SER A 67 12.593 6.059 -12.831 1.00 11.13 H new ATOM 0 HB3 SER A 67 14.220 6.573 -12.431 1.00 11.13 H new ATOM 0 HG SER A 67 12.887 8.339 -13.124 1.00 11.02 H new ATOM 1061 N LEU A 68 14.067 3.156 -13.722 1.00 65.10 N ATOM 1062 CA LEU A 68 14.576 1.933 -13.113 1.00 61.50 C ATOM 1063 C LEU A 68 15.946 1.571 -13.679 1.00 51.42 C ATOM 1064 O LEU A 68 16.728 0.870 -13.038 1.00 42.23 O ATOM 1065 CB LEU A 68 13.597 0.779 -13.342 1.00 55.21 C ATOM 1066 CG LEU A 68 12.412 0.704 -12.379 1.00 45.34 C ATOM 1067 CD1 LEU A 68 11.195 0.118 -13.075 1.00 24.32 C ATOM 1068 CD2 LEU A 68 12.773 -0.118 -11.150 1.00 34.31 C ATOM 0 H LEU A 68 13.186 3.042 -14.224 1.00 65.10 H new ATOM 0 HA LEU A 68 14.680 2.107 -12.042 1.00 61.50 H new ATOM 0 HB2 LEU A 68 13.210 0.854 -14.358 1.00 55.21 H new ATOM 0 HB3 LEU A 68 14.150 -0.158 -13.280 1.00 55.21 H new ATOM 0 HG LEU A 68 12.168 1.716 -12.055 1.00 45.34 H new ATOM 0 HD11 LEU A 68 10.362 0.072 -12.374 1.00 24.32 H new ATOM 0 HD12 LEU A 68 10.922 0.747 -13.922 1.00 24.32 H new ATOM 0 HD13 LEU A 68 11.427 -0.887 -13.429 1.00 24.32 H new ATOM 0 HD21 LEU A 68 11.917 -0.160 -10.476 1.00 34.31 H new ATOM 0 HD22 LEU A 68 13.045 -1.129 -11.455 1.00 34.31 H new ATOM 0 HD23 LEU A 68 13.616 0.345 -10.637 1.00 34.31 H new ATOM 1080 N GLN A 69 16.230 2.057 -14.883 1.00 5.32 N ATOM 1081 CA GLN A 69 17.505 1.786 -15.535 1.00 51.03 C ATOM 1082 C GLN A 69 18.671 2.122 -14.609 1.00 2.24 C ATOM 1083 O GLN A 69 19.588 1.320 -14.433 1.00 14.13 O ATOM 1084 CB GLN A 69 17.620 2.590 -16.831 1.00 31.11 C ATOM 1085 CG GLN A 69 18.601 1.996 -17.830 1.00 65.23 C ATOM 1086 CD GLN A 69 17.976 0.914 -18.689 1.00 41.10 C ATOM 1087 OE1 GLN A 69 17.321 0.003 -18.181 1.00 11.41 O ATOM 1088 NE2 GLN A 69 18.176 1.009 -19.998 1.00 64.53 N ATOM 0 H GLN A 69 15.594 2.640 -15.427 1.00 5.32 H new ATOM 0 HA GLN A 69 17.546 0.723 -15.771 1.00 51.03 H new ATOM 0 HB2 GLN A 69 16.636 2.657 -17.296 1.00 31.11 H new ATOM 0 HB3 GLN A 69 17.929 3.607 -16.592 1.00 31.11 H new ATOM 0 HG2 GLN A 69 18.984 2.789 -18.473 1.00 65.23 H new ATOM 0 HG3 GLN A 69 19.454 1.581 -17.293 1.00 65.23 H new ATOM 0 HE21 GLN A 69 18.726 1.781 -20.375 1.00 64.53 H new ATOM 0 HE22 GLN A 69 17.780 0.310 -20.626 1.00 64.53 H new ATOM 1097 N THR A 70 18.628 3.313 -14.020 1.00 32.31 N ATOM 1098 CA THR A 70 19.681 3.755 -13.114 1.00 23.24 C ATOM 1099 C THR A 70 19.098 4.478 -11.906 1.00 44.43 C ATOM 1100 O THR A 70 19.631 5.493 -11.460 1.00 41.21 O ATOM 1101 CB THR A 70 20.678 4.689 -13.825 1.00 64.12 C ATOM 1102 OG1 THR A 70 20.887 4.248 -15.172 1.00 42.41 O ATOM 1103 CG2 THR A 70 22.007 4.725 -13.086 1.00 25.03 C ATOM 0 H THR A 70 17.876 3.988 -14.154 1.00 32.31 H new ATOM 0 HA THR A 70 20.207 2.861 -12.780 1.00 23.24 H new ATOM 0 HB THR A 70 20.258 5.695 -13.833 1.00 64.12 H new ATOM 0 HG1 THR A 70 21.521 4.848 -15.618 1.00 42.41 H new ATOM 0 HG21 THR A 70 22.695 5.391 -13.607 1.00 25.03 H new ATOM 0 HG22 THR A 70 21.849 5.088 -12.071 1.00 25.03 H new ATOM 0 HG23 THR A 70 22.431 3.721 -13.050 1.00 25.03 H new ATOM 1111 N GLY A 71 17.999 3.948 -11.377 1.00 25.21 N ATOM 1112 CA GLY A 71 17.361 4.556 -10.224 1.00 54.40 C ATOM 1113 C GLY A 71 18.015 4.148 -8.918 1.00 62.41 C ATOM 1114 O GLY A 71 18.277 2.968 -8.690 1.00 73.43 O ATOM 0 H GLY A 71 17.539 3.108 -11.727 1.00 25.21 H new ATOM 0 HA2 GLY A 71 17.398 5.641 -10.322 1.00 54.40 H new ATOM 0 HA3 GLY A 71 16.308 4.273 -10.204 1.00 54.40 H new ATOM 1118 N SER A 72 18.280 5.128 -8.059 1.00 25.31 N ATOM 1119 CA SER A 72 18.913 4.864 -6.772 1.00 4.22 C ATOM 1120 C SER A 72 18.176 3.759 -6.021 1.00 41.03 C ATOM 1121 O SER A 72 17.081 3.354 -6.408 1.00 2.24 O ATOM 1122 CB SER A 72 18.943 6.139 -5.926 1.00 64.34 C ATOM 1123 OG SER A 72 18.097 7.135 -6.473 1.00 43.12 O ATOM 0 H SER A 72 18.066 6.110 -8.231 1.00 25.31 H new ATOM 0 HA SER A 72 19.935 4.534 -6.957 1.00 4.22 H new ATOM 0 HB2 SER A 72 18.629 5.911 -4.907 1.00 64.34 H new ATOM 0 HB3 SER A 72 19.964 6.517 -5.868 1.00 64.34 H new ATOM 0 HG SER A 72 18.133 7.938 -5.913 1.00 43.12 H new ATOM 1129 N GLU A 73 18.787 3.276 -4.944 1.00 70.42 N ATOM 1130 CA GLU A 73 18.191 2.217 -4.138 1.00 3.00 C ATOM 1131 C GLU A 73 16.750 2.559 -3.772 1.00 62.03 C ATOM 1132 O GLU A 73 15.909 1.672 -3.627 1.00 73.44 O ATOM 1133 CB GLU A 73 19.013 1.988 -2.867 1.00 5.24 C ATOM 1134 CG GLU A 73 20.340 1.294 -3.118 1.00 71.20 C ATOM 1135 CD GLU A 73 21.394 1.664 -2.093 1.00 52.24 C ATOM 1136 OE1 GLU A 73 21.849 2.827 -2.100 1.00 70.52 O ATOM 1137 OE2 GLU A 73 21.765 0.789 -1.281 1.00 63.31 O ATOM 0 H GLU A 73 19.694 3.601 -4.609 1.00 70.42 H new ATOM 0 HA GLU A 73 18.190 1.301 -4.730 1.00 3.00 H new ATOM 0 HB2 GLU A 73 19.200 2.949 -2.387 1.00 5.24 H new ATOM 0 HB3 GLU A 73 18.427 1.391 -2.168 1.00 5.24 H new ATOM 0 HG2 GLU A 73 20.189 0.215 -3.106 1.00 71.20 H new ATOM 0 HG3 GLU A 73 20.699 1.554 -4.114 1.00 71.20 H new ATOM 1144 N GLU A 74 16.474 3.850 -3.622 1.00 51.22 N ATOM 1145 CA GLU A 74 15.135 4.309 -3.270 1.00 62.54 C ATOM 1146 C GLU A 74 14.135 3.965 -4.371 1.00 74.14 C ATOM 1147 O GLU A 74 13.039 3.475 -4.098 1.00 4.52 O ATOM 1148 CB GLU A 74 15.138 5.819 -3.022 1.00 65.41 C ATOM 1149 CG GLU A 74 16.272 6.286 -2.125 1.00 11.03 C ATOM 1150 CD GLU A 74 15.786 7.131 -0.964 1.00 41.23 C ATOM 1151 OE1 GLU A 74 15.054 6.596 -0.105 1.00 62.11 O ATOM 1152 OE2 GLU A 74 16.140 8.328 -0.913 1.00 70.10 O ATOM 0 H GLU A 74 17.159 4.597 -3.739 1.00 51.22 H new ATOM 0 HA GLU A 74 14.832 3.799 -2.356 1.00 62.54 H new ATOM 0 HB2 GLU A 74 15.207 6.336 -3.979 1.00 65.41 H new ATOM 0 HB3 GLU A 74 14.188 6.107 -2.572 1.00 65.41 H new ATOM 0 HG2 GLU A 74 16.806 5.418 -1.739 1.00 11.03 H new ATOM 0 HG3 GLU A 74 16.984 6.862 -2.716 1.00 11.03 H new ATOM 1159 N LEU A 75 14.522 4.225 -5.614 1.00 33.44 N ATOM 1160 CA LEU A 75 13.660 3.943 -6.758 1.00 10.43 C ATOM 1161 C LEU A 75 13.357 2.452 -6.858 1.00 40.22 C ATOM 1162 O LEU A 75 12.261 2.057 -7.253 1.00 45.21 O ATOM 1163 CB LEU A 75 14.320 4.428 -8.050 1.00 1.55 C ATOM 1164 CG LEU A 75 13.375 4.730 -9.214 1.00 42.24 C ATOM 1165 CD1 LEU A 75 13.823 5.980 -9.956 1.00 40.12 C ATOM 1166 CD2 LEU A 75 13.301 3.542 -10.162 1.00 43.34 C ATOM 0 H LEU A 75 15.426 4.630 -5.857 1.00 33.44 H new ATOM 0 HA LEU A 75 12.721 4.477 -6.614 1.00 10.43 H new ATOM 0 HB2 LEU A 75 14.889 5.330 -7.827 1.00 1.55 H new ATOM 0 HB3 LEU A 75 15.035 3.672 -8.375 1.00 1.55 H new ATOM 0 HG LEU A 75 12.379 4.910 -8.811 1.00 42.24 H new ATOM 0 HD11 LEU A 75 13.138 6.179 -10.781 1.00 40.12 H new ATOM 0 HD12 LEU A 75 13.823 6.829 -9.272 1.00 40.12 H new ATOM 0 HD13 LEU A 75 14.829 5.830 -10.348 1.00 40.12 H new ATOM 0 HD21 LEU A 75 12.624 3.774 -10.984 1.00 43.34 H new ATOM 0 HD22 LEU A 75 14.294 3.330 -10.558 1.00 43.34 H new ATOM 0 HD23 LEU A 75 12.932 2.669 -9.624 1.00 43.34 H new ATOM 1178 N ARG A 76 14.335 1.629 -6.494 1.00 31.10 N ATOM 1179 CA ARG A 76 14.172 0.182 -6.542 1.00 61.51 C ATOM 1180 C ARG A 76 13.237 -0.297 -5.435 1.00 31.31 C ATOM 1181 O ARG A 76 12.408 -1.183 -5.648 1.00 15.51 O ATOM 1182 CB ARG A 76 15.530 -0.511 -6.411 1.00 74.12 C ATOM 1183 CG ARG A 76 16.346 -0.498 -7.694 1.00 62.55 C ATOM 1184 CD ARG A 76 17.388 -1.607 -7.702 1.00 64.33 C ATOM 1185 NE ARG A 76 16.777 -2.931 -7.608 1.00 32.44 N ATOM 1186 CZ ARG A 76 16.203 -3.550 -8.635 1.00 0.53 C ATOM 1187 NH1 ARG A 76 16.160 -2.966 -9.824 1.00 15.15 N ATOM 1188 NH2 ARG A 76 15.670 -4.753 -8.472 1.00 73.43 N ATOM 0 H ARG A 76 15.248 1.940 -6.163 1.00 31.10 H new ATOM 0 HA ARG A 76 13.731 -0.076 -7.505 1.00 61.51 H new ATOM 0 HB2 ARG A 76 16.102 -0.024 -5.621 1.00 74.12 H new ATOM 0 HB3 ARG A 76 15.373 -1.544 -6.100 1.00 74.12 H new ATOM 0 HG2 ARG A 76 15.682 -0.615 -8.550 1.00 62.55 H new ATOM 0 HG3 ARG A 76 16.840 0.468 -7.803 1.00 62.55 H new ATOM 0 HD2 ARG A 76 17.978 -1.544 -8.616 1.00 64.33 H new ATOM 0 HD3 ARG A 76 18.076 -1.465 -6.868 1.00 64.33 H new ATOM 0 HE ARG A 76 16.792 -3.406 -6.705 1.00 32.44 H new ATOM 0 HH11 ARG A 76 16.568 -2.040 -9.952 1.00 15.15 H new ATOM 0 HH12 ARG A 76 15.719 -3.443 -10.611 1.00 15.15 H new ATOM 0 HH21 ARG A 76 15.700 -5.205 -7.558 1.00 73.43 H new ATOM 0 HH22 ARG A 76 15.230 -5.227 -9.261 1.00 73.43 H new ATOM 1202 N SER A 77 13.376 0.294 -4.252 1.00 2.35 N ATOM 1203 CA SER A 77 12.547 -0.074 -3.111 1.00 24.11 C ATOM 1204 C SER A 77 11.115 0.420 -3.297 1.00 11.44 C ATOM 1205 O SER A 77 10.176 -0.130 -2.721 1.00 2.23 O ATOM 1206 CB SER A 77 13.134 0.501 -1.821 1.00 63.23 C ATOM 1207 OG SER A 77 14.332 -0.166 -1.463 1.00 22.32 O ATOM 0 H SER A 77 14.055 1.030 -4.059 1.00 2.35 H new ATOM 0 HA SER A 77 12.531 -1.162 -3.041 1.00 24.11 H new ATOM 0 HB2 SER A 77 13.332 1.565 -1.951 1.00 63.23 H new ATOM 0 HB3 SER A 77 12.407 0.408 -1.014 1.00 63.23 H new ATOM 0 HG SER A 77 15.076 0.191 -1.992 1.00 22.32 H new ATOM 1213 N LEU A 78 10.957 1.462 -4.106 1.00 13.03 N ATOM 1214 CA LEU A 78 9.640 2.032 -4.370 1.00 15.11 C ATOM 1215 C LEU A 78 8.871 1.185 -5.378 1.00 11.41 C ATOM 1216 O LEU A 78 7.807 0.649 -5.071 1.00 73.03 O ATOM 1217 CB LEU A 78 9.778 3.465 -4.890 1.00 62.43 C ATOM 1218 CG LEU A 78 9.408 4.575 -3.906 1.00 44.02 C ATOM 1219 CD1 LEU A 78 8.002 4.361 -3.364 1.00 34.22 C ATOM 1220 CD2 LEU A 78 10.416 4.636 -2.768 1.00 41.53 C ATOM 0 H LEU A 78 11.724 1.929 -4.590 1.00 13.03 H new ATOM 0 HA LEU A 78 9.082 2.043 -3.434 1.00 15.11 H new ATOM 0 HB2 LEU A 78 10.810 3.617 -5.207 1.00 62.43 H new ATOM 0 HB3 LEU A 78 9.153 3.570 -5.777 1.00 62.43 H new ATOM 0 HG LEU A 78 9.430 5.527 -4.436 1.00 44.02 H new ATOM 0 HD11 LEU A 78 7.756 5.161 -2.665 1.00 34.22 H new ATOM 0 HD12 LEU A 78 7.289 4.368 -4.189 1.00 34.22 H new ATOM 0 HD13 LEU A 78 7.953 3.401 -2.849 1.00 34.22 H new ATOM 0 HD21 LEU A 78 10.137 5.432 -2.077 1.00 41.53 H new ATOM 0 HD22 LEU A 78 10.426 3.683 -2.239 1.00 41.53 H new ATOM 0 HD23 LEU A 78 11.408 4.837 -3.171 1.00 41.53 H new ATOM 1232 N TYR A 79 9.419 1.067 -6.583 1.00 3.11 N ATOM 1233 CA TYR A 79 8.784 0.285 -7.638 1.00 74.13 C ATOM 1234 C TYR A 79 8.314 -1.066 -7.106 1.00 32.12 C ATOM 1235 O TYR A 79 7.197 -1.499 -7.381 1.00 5.15 O ATOM 1236 CB TYR A 79 9.754 0.078 -8.802 1.00 71.13 C ATOM 1237 CG TYR A 79 9.068 -0.223 -10.115 1.00 32.30 C ATOM 1238 CD1 TYR A 79 8.366 0.764 -10.796 1.00 25.32 C ATOM 1239 CD2 TYR A 79 9.122 -1.494 -10.675 1.00 51.23 C ATOM 1240 CE1 TYR A 79 7.737 0.493 -11.996 1.00 15.33 C ATOM 1241 CE2 TYR A 79 8.498 -1.772 -11.875 1.00 53.23 C ATOM 1242 CZ TYR A 79 7.807 -0.776 -12.532 1.00 4.12 C ATOM 1243 OH TYR A 79 7.182 -1.050 -13.727 1.00 50.14 O ATOM 0 H TYR A 79 10.301 1.503 -6.853 1.00 3.11 H new ATOM 0 HA TYR A 79 7.914 0.838 -7.993 1.00 74.13 H new ATOM 0 HB2 TYR A 79 10.366 0.973 -8.918 1.00 71.13 H new ATOM 0 HB3 TYR A 79 10.431 -0.741 -8.559 1.00 71.13 H new ATOM 0 HD1 TYR A 79 8.311 1.759 -10.380 1.00 25.32 H new ATOM 0 HD2 TYR A 79 9.661 -2.277 -10.163 1.00 51.23 H new ATOM 0 HE1 TYR A 79 7.193 1.271 -12.512 1.00 15.33 H new ATOM 0 HE2 TYR A 79 8.551 -2.765 -12.297 1.00 53.23 H new ATOM 0 HH TYR A 79 7.329 -1.989 -13.965 1.00 50.14 H new ATOM 1253 N ASN A 80 9.178 -1.726 -6.341 1.00 32.14 N ATOM 1254 CA ASN A 80 8.854 -3.028 -5.770 1.00 4.02 C ATOM 1255 C ASN A 80 7.560 -2.960 -4.962 1.00 54.02 C ATOM 1256 O ASN A 80 6.536 -3.513 -5.361 1.00 22.45 O ATOM 1257 CB ASN A 80 9.998 -3.519 -4.881 1.00 35.03 C ATOM 1258 CG ASN A 80 11.037 -4.304 -5.659 1.00 41.12 C ATOM 1259 OD1 ASN A 80 11.021 -4.328 -6.889 1.00 63.21 O ATOM 1260 ND2 ASN A 80 11.947 -4.952 -4.941 1.00 72.20 N ATOM 0 H ASN A 80 10.108 -1.380 -6.102 1.00 32.14 H new ATOM 0 HA ASN A 80 8.714 -3.732 -6.590 1.00 4.02 H new ATOM 0 HB2 ASN A 80 10.476 -2.664 -4.402 1.00 35.03 H new ATOM 0 HB3 ASN A 80 9.594 -4.145 -4.086 1.00 35.03 H new ATOM 0 HD21 ASN A 80 12.671 -5.498 -5.408 1.00 72.20 H new ATOM 0 HD22 ASN A 80 11.922 -4.904 -3.922 1.00 72.20 H new ATOM 1267 N THR A 81 7.616 -2.278 -3.823 1.00 53.12 N ATOM 1268 CA THR A 81 6.452 -2.137 -2.958 1.00 1.21 C ATOM 1269 C THR A 81 5.250 -1.613 -3.736 1.00 41.34 C ATOM 1270 O THR A 81 4.191 -2.240 -3.755 1.00 63.41 O ATOM 1271 CB THR A 81 6.739 -1.189 -1.778 1.00 11.33 C ATOM 1272 OG1 THR A 81 7.783 -1.727 -0.960 1.00 33.11 O ATOM 1273 CG2 THR A 81 5.489 -0.975 -0.938 1.00 24.54 C ATOM 0 H THR A 81 8.456 -1.814 -3.478 1.00 53.12 H new ATOM 0 HA THR A 81 6.225 -3.130 -2.569 1.00 1.21 H new ATOM 0 HB THR A 81 7.054 -0.227 -2.183 1.00 11.33 H new ATOM 0 HG1 THR A 81 7.960 -1.118 -0.213 1.00 33.11 H new ATOM 0 HG21 THR A 81 5.717 -0.302 -0.111 1.00 24.54 H new ATOM 0 HG22 THR A 81 4.706 -0.537 -1.557 1.00 24.54 H new ATOM 0 HG23 THR A 81 5.148 -1.932 -0.543 1.00 24.54 H new ATOM 1281 N ILE A 82 5.421 -0.461 -4.375 1.00 64.15 N ATOM 1282 CA ILE A 82 4.349 0.145 -5.155 1.00 15.34 C ATOM 1283 C ILE A 82 3.666 -0.887 -6.045 1.00 1.20 C ATOM 1284 O ILE A 82 2.440 -0.924 -6.140 1.00 4.13 O ATOM 1285 CB ILE A 82 4.875 1.296 -6.034 1.00 2.11 C ATOM 1286 CG1 ILE A 82 5.370 2.450 -5.159 1.00 23.30 C ATOM 1287 CG2 ILE A 82 3.790 1.775 -6.986 1.00 25.41 C ATOM 1288 CD1 ILE A 82 6.101 3.525 -5.932 1.00 74.51 C ATOM 0 H ILE A 82 6.291 0.071 -4.368 1.00 64.15 H new ATOM 0 HA ILE A 82 3.626 0.543 -4.443 1.00 15.34 H new ATOM 0 HB ILE A 82 5.713 0.927 -6.625 1.00 2.11 H new ATOM 0 HG12 ILE A 82 4.518 2.898 -4.647 1.00 23.30 H new ATOM 0 HG13 ILE A 82 6.032 2.053 -4.389 1.00 23.30 H new ATOM 0 HG21 ILE A 82 4.178 2.588 -7.600 1.00 25.41 H new ATOM 0 HG22 ILE A 82 3.480 0.951 -7.629 1.00 25.41 H new ATOM 0 HG23 ILE A 82 2.934 2.130 -6.413 1.00 25.41 H new ATOM 0 HD11 ILE A 82 6.423 4.310 -5.248 1.00 74.51 H new ATOM 0 HD12 ILE A 82 6.973 3.092 -6.422 1.00 74.51 H new ATOM 0 HD13 ILE A 82 5.435 3.949 -6.684 1.00 74.51 H new ATOM 1300 N ALA A 83 4.468 -1.725 -6.695 1.00 60.04 N ATOM 1301 CA ALA A 83 3.940 -2.761 -7.574 1.00 43.42 C ATOM 1302 C ALA A 83 2.985 -3.683 -6.824 1.00 5.22 C ATOM 1303 O ALA A 83 1.904 -4.007 -7.316 1.00 54.53 O ATOM 1304 CB ALA A 83 5.078 -3.562 -8.188 1.00 62.54 C ATOM 0 H ALA A 83 5.486 -1.706 -6.629 1.00 60.04 H new ATOM 0 HA ALA A 83 3.380 -2.275 -8.373 1.00 43.42 H new ATOM 0 HB1 ALA A 83 4.669 -4.332 -8.842 1.00 62.54 H new ATOM 0 HB2 ALA A 83 5.720 -2.898 -8.767 1.00 62.54 H new ATOM 0 HB3 ALA A 83 5.662 -4.031 -7.396 1.00 62.54 H new ATOM 1310 N VAL A 84 3.391 -4.104 -5.630 1.00 13.32 N ATOM 1311 CA VAL A 84 2.571 -4.989 -4.811 1.00 32.12 C ATOM 1312 C VAL A 84 1.180 -4.405 -4.595 1.00 4.01 C ATOM 1313 O VAL A 84 0.177 -5.116 -4.673 1.00 4.21 O ATOM 1314 CB VAL A 84 3.224 -5.252 -3.442 1.00 21.11 C ATOM 1315 CG1 VAL A 84 2.317 -6.112 -2.574 1.00 33.12 C ATOM 1316 CG2 VAL A 84 4.585 -5.907 -3.618 1.00 50.40 C ATOM 0 H VAL A 84 4.283 -3.846 -5.208 1.00 13.32 H new ATOM 0 HA VAL A 84 2.486 -5.932 -5.351 1.00 32.12 H new ATOM 0 HB VAL A 84 3.369 -4.296 -2.938 1.00 21.11 H new ATOM 0 HG11 VAL A 84 2.795 -6.287 -1.610 1.00 33.12 H new ATOM 0 HG12 VAL A 84 1.368 -5.599 -2.420 1.00 33.12 H new ATOM 0 HG13 VAL A 84 2.138 -7.066 -3.069 1.00 33.12 H new ATOM 0 HG21 VAL A 84 5.032 -6.086 -2.640 1.00 50.40 H new ATOM 0 HG22 VAL A 84 4.467 -6.856 -4.142 1.00 50.40 H new ATOM 0 HG23 VAL A 84 5.233 -5.250 -4.198 1.00 50.40 H new ATOM 1326 N LEU A 85 1.124 -3.105 -4.324 1.00 34.13 N ATOM 1327 CA LEU A 85 -0.145 -2.424 -4.097 1.00 11.40 C ATOM 1328 C LEU A 85 -1.029 -2.489 -5.340 1.00 75.02 C ATOM 1329 O LEU A 85 -2.188 -2.898 -5.268 1.00 32.14 O ATOM 1330 CB LEU A 85 0.099 -0.966 -3.708 1.00 2.52 C ATOM 1331 CG LEU A 85 -1.150 -0.110 -3.491 1.00 2.02 C ATOM 1332 CD1 LEU A 85 -2.093 -0.784 -2.506 1.00 4.12 C ATOM 1333 CD2 LEU A 85 -0.767 1.279 -3.001 1.00 31.24 C ATOM 0 H LEU A 85 1.944 -2.502 -4.256 1.00 34.13 H new ATOM 0 HA LEU A 85 -0.660 -2.931 -3.281 1.00 11.40 H new ATOM 0 HB2 LEU A 85 0.690 -0.949 -2.792 1.00 2.52 H new ATOM 0 HB3 LEU A 85 0.704 -0.500 -4.486 1.00 2.52 H new ATOM 0 HG LEU A 85 -1.667 -0.006 -4.445 1.00 2.02 H new ATOM 0 HD11 LEU A 85 -2.976 -0.161 -2.363 1.00 4.12 H new ATOM 0 HD12 LEU A 85 -2.394 -1.756 -2.897 1.00 4.12 H new ATOM 0 HD13 LEU A 85 -1.586 -0.918 -1.551 1.00 4.12 H new ATOM 0 HD21 LEU A 85 -1.668 1.874 -2.852 1.00 31.24 H new ATOM 0 HD22 LEU A 85 -0.227 1.196 -2.058 1.00 31.24 H new ATOM 0 HD23 LEU A 85 -0.131 1.764 -3.742 1.00 31.24 H new ATOM 1345 N TYR A 86 -0.472 -2.087 -6.477 1.00 51.04 N ATOM 1346 CA TYR A 86 -1.208 -2.100 -7.734 1.00 11.22 C ATOM 1347 C TYR A 86 -1.955 -3.418 -7.916 1.00 55.32 C ATOM 1348 O TYR A 86 -3.156 -3.432 -8.186 1.00 13.32 O ATOM 1349 CB TYR A 86 -0.255 -1.875 -8.910 1.00 2.12 C ATOM 1350 CG TYR A 86 -0.895 -2.107 -10.260 1.00 3.34 C ATOM 1351 CD1 TYR A 86 -1.915 -1.282 -10.719 1.00 30.03 C ATOM 1352 CD2 TYR A 86 -0.478 -3.150 -11.078 1.00 63.12 C ATOM 1353 CE1 TYR A 86 -2.502 -1.491 -11.952 1.00 31.22 C ATOM 1354 CE2 TYR A 86 -1.058 -3.366 -12.313 1.00 3.04 C ATOM 1355 CZ TYR A 86 -2.071 -2.534 -12.746 1.00 55.24 C ATOM 1356 OH TYR A 86 -2.651 -2.744 -13.974 1.00 21.31 O ATOM 0 H TYR A 86 0.487 -1.748 -6.553 1.00 51.04 H new ATOM 0 HA TYR A 86 -1.938 -1.291 -7.706 1.00 11.22 H new ATOM 0 HB2 TYR A 86 0.126 -0.855 -8.868 1.00 2.12 H new ATOM 0 HB3 TYR A 86 0.602 -2.540 -8.805 1.00 2.12 H new ATOM 0 HD1 TYR A 86 -2.254 -0.464 -10.101 1.00 30.03 H new ATOM 0 HD2 TYR A 86 0.314 -3.803 -10.742 1.00 63.12 H new ATOM 0 HE1 TYR A 86 -3.294 -0.841 -12.293 1.00 31.22 H new ATOM 0 HE2 TYR A 86 -0.721 -4.181 -12.936 1.00 3.04 H new ATOM 0 HH TYR A 86 -2.232 -3.517 -14.406 1.00 21.31 H new ATOM 1366 N CYS A 87 -1.234 -4.523 -7.763 1.00 24.12 N ATOM 1367 CA CYS A 87 -1.826 -5.848 -7.910 1.00 62.52 C ATOM 1368 C CYS A 87 -2.868 -6.102 -6.825 1.00 53.23 C ATOM 1369 O CYS A 87 -3.908 -6.710 -7.077 1.00 73.54 O ATOM 1370 CB CYS A 87 -0.741 -6.924 -7.854 1.00 64.33 C ATOM 1371 SG CYS A 87 0.018 -7.291 -9.454 1.00 72.53 S ATOM 0 H CYS A 87 -0.239 -4.528 -7.537 1.00 24.12 H new ATOM 0 HA CYS A 87 -2.320 -5.892 -8.880 1.00 62.52 H new ATOM 0 HB2 CYS A 87 0.036 -6.605 -7.160 1.00 64.33 H new ATOM 0 HB3 CYS A 87 -1.173 -7.840 -7.450 1.00 64.33 H new ATOM 0 HG CYS A 87 0.924 -8.211 -9.304 1.00 72.53 H new ATOM 1377 N VAL A 88 -2.579 -5.632 -5.614 1.00 31.22 N ATOM 1378 CA VAL A 88 -3.490 -5.808 -4.489 1.00 12.03 C ATOM 1379 C VAL A 88 -4.846 -5.173 -4.776 1.00 44.42 C ATOM 1380 O VAL A 88 -5.885 -5.686 -4.357 1.00 34.14 O ATOM 1381 CB VAL A 88 -2.912 -5.197 -3.199 1.00 72.33 C ATOM 1382 CG1 VAL A 88 -3.985 -5.101 -2.126 1.00 3.20 C ATOM 1383 CG2 VAL A 88 -1.728 -6.016 -2.707 1.00 35.31 C ATOM 0 H VAL A 88 -1.722 -5.127 -5.388 1.00 31.22 H new ATOM 0 HA VAL A 88 -3.617 -6.881 -4.349 1.00 12.03 H new ATOM 0 HB VAL A 88 -2.562 -4.189 -3.420 1.00 72.33 H new ATOM 0 HG11 VAL A 88 -3.558 -4.667 -1.222 1.00 3.20 H new ATOM 0 HG12 VAL A 88 -4.800 -4.470 -2.481 1.00 3.20 H new ATOM 0 HG13 VAL A 88 -4.368 -6.097 -1.904 1.00 3.20 H new ATOM 0 HG21 VAL A 88 -1.331 -5.571 -1.795 1.00 35.31 H new ATOM 0 HG22 VAL A 88 -2.052 -7.036 -2.502 1.00 35.31 H new ATOM 0 HG23 VAL A 88 -0.951 -6.029 -3.472 1.00 35.31 H new ATOM 1393 N HIS A 89 -4.830 -4.053 -5.491 1.00 75.22 N ATOM 1394 CA HIS A 89 -6.059 -3.346 -5.836 1.00 62.14 C ATOM 1395 C HIS A 89 -6.744 -4.003 -7.031 1.00 45.43 C ATOM 1396 O HIS A 89 -7.975 -3.988 -7.054 1.00 52.12 O ATOM 1397 CB HIS A 89 -5.761 -1.880 -6.146 1.00 15.42 C ATOM 1398 CG HIS A 89 -5.544 -1.041 -4.925 1.00 71.34 C ATOM 1399 ND1 HIS A 89 -6.414 -1.030 -3.854 1.00 32.15 N ATOM 1400 CD2 HIS A 89 -4.547 -0.182 -4.605 1.00 12.22 C ATOM 1401 CE1 HIS A 89 -5.962 -0.200 -2.931 1.00 30.51 C ATOM 1402 NE2 HIS A 89 -4.830 0.327 -3.362 1.00 61.31 N ATOM 0 H HIS A 89 -3.979 -3.615 -5.843 1.00 75.22 H new ATOM 0 HA HIS A 89 -6.731 -3.397 -4.980 1.00 62.14 H new ATOM 0 HB2 HIS A 89 -4.874 -1.824 -6.777 1.00 15.42 H new ATOM 0 HB3 HIS A 89 -6.588 -1.463 -6.721 1.00 15.42 H new ATOM 0 HD2 HIS A 89 -3.689 0.058 -5.215 1.00 12.22 H new ATOM 0 HE1 HIS A 89 -6.437 0.012 -1.985 1.00 30.51 H new ATOM 0 HE2 HIS A 89 -4.259 1.002 -2.854 1.00 61.31 H new ATOM 1411 N GLN A 90 -6.008 -4.556 -7.989 1.00 61.22 N ATOM 1412 CA GLN A 90 -6.619 -5.193 -9.149 1.00 1.11 C ATOM 1413 C GLN A 90 -7.025 -6.629 -8.832 1.00 52.20 C ATOM 1414 O GLN A 90 -7.319 -7.414 -9.734 1.00 65.31 O ATOM 1415 CB GLN A 90 -5.654 -5.174 -10.336 1.00 50.34 C ATOM 1416 CG GLN A 90 -6.166 -4.376 -11.524 1.00 44.23 C ATOM 1417 CD GLN A 90 -6.692 -5.260 -12.637 1.00 21.33 C ATOM 1418 OE1 GLN A 90 -6.003 -6.169 -13.101 1.00 65.34 O ATOM 1419 NE2 GLN A 90 -7.919 -4.997 -13.074 1.00 54.03 N ATOM 0 H GLN A 90 -4.988 -4.576 -7.985 1.00 61.22 H new ATOM 0 HA GLN A 90 -7.516 -4.630 -9.409 1.00 1.11 H new ATOM 0 HB2 GLN A 90 -4.701 -4.756 -10.012 1.00 50.34 H new ATOM 0 HB3 GLN A 90 -5.461 -6.199 -10.653 1.00 50.34 H new ATOM 0 HG2 GLN A 90 -6.959 -3.706 -11.192 1.00 44.23 H new ATOM 0 HG3 GLN A 90 -5.361 -3.751 -11.911 1.00 44.23 H new ATOM 0 HE21 GLN A 90 -8.455 -4.234 -12.661 1.00 54.03 H new ATOM 0 HE22 GLN A 90 -8.325 -5.558 -13.823 1.00 54.03 H new ATOM 1428 N ARG A 91 -7.037 -6.964 -7.546 1.00 23.33 N ATOM 1429 CA ARG A 91 -7.406 -8.306 -7.111 1.00 75.13 C ATOM 1430 C ARG A 91 -6.443 -9.345 -7.680 1.00 63.14 C ATOM 1431 O ARG A 91 -6.862 -10.415 -8.124 1.00 52.11 O ATOM 1432 CB ARG A 91 -8.836 -8.631 -7.542 1.00 64.13 C ATOM 1433 CG ARG A 91 -9.582 -9.520 -6.559 1.00 13.32 C ATOM 1434 CD ARG A 91 -11.078 -9.251 -6.589 1.00 54.15 C ATOM 1435 NE ARG A 91 -11.585 -8.833 -5.284 1.00 72.41 N ATOM 1436 CZ ARG A 91 -12.874 -8.645 -5.022 1.00 10.24 C ATOM 1437 NH1 ARG A 91 -13.781 -8.837 -5.970 1.00 14.33 N ATOM 1438 NH2 ARG A 91 -13.257 -8.264 -3.811 1.00 51.24 N ATOM 0 H ARG A 91 -6.796 -6.326 -6.788 1.00 23.33 H new ATOM 0 HA ARG A 91 -7.347 -8.337 -6.023 1.00 75.13 H new ATOM 0 HB2 ARG A 91 -9.389 -7.700 -7.669 1.00 64.13 H new ATOM 0 HB3 ARG A 91 -8.811 -9.121 -8.515 1.00 64.13 H new ATOM 0 HG2 ARG A 91 -9.395 -10.567 -6.799 1.00 13.32 H new ATOM 0 HG3 ARG A 91 -9.201 -9.351 -5.552 1.00 13.32 H new ATOM 0 HD2 ARG A 91 -11.293 -8.477 -7.326 1.00 54.15 H new ATOM 0 HD3 ARG A 91 -11.602 -10.151 -6.910 1.00 54.15 H new ATOM 0 HE ARG A 91 -10.913 -8.677 -4.533 1.00 72.41 H new ATOM 0 HH11 ARG A 91 -13.490 -9.130 -6.903 1.00 14.33 H new ATOM 0 HH12 ARG A 91 -14.770 -8.692 -5.767 1.00 14.33 H new ATOM 0 HH21 ARG A 91 -12.562 -8.115 -3.080 1.00 51.24 H new ATOM 0 HH22 ARG A 91 -14.247 -8.120 -3.611 1.00 51.24 H new ATOM 1452 N ILE A 92 -5.154 -9.023 -7.663 1.00 2.02 N ATOM 1453 CA ILE A 92 -4.134 -9.928 -8.176 1.00 21.24 C ATOM 1454 C ILE A 92 -3.286 -10.499 -7.045 1.00 24.42 C ATOM 1455 O ILE A 92 -2.651 -9.757 -6.296 1.00 51.30 O ATOM 1456 CB ILE A 92 -3.212 -9.221 -9.188 1.00 20.51 C ATOM 1457 CG1 ILE A 92 -4.038 -8.596 -10.314 1.00 43.22 C ATOM 1458 CG2 ILE A 92 -2.195 -10.202 -9.752 1.00 24.01 C ATOM 1459 CD1 ILE A 92 -3.210 -7.811 -11.306 1.00 54.40 C ATOM 0 H ILE A 92 -4.792 -8.142 -7.299 1.00 2.02 H new ATOM 0 HA ILE A 92 -4.658 -10.741 -8.680 1.00 21.24 H new ATOM 0 HB ILE A 92 -2.674 -8.425 -8.673 1.00 20.51 H new ATOM 0 HG12 ILE A 92 -4.572 -9.385 -10.843 1.00 43.22 H new ATOM 0 HG13 ILE A 92 -4.790 -7.938 -9.880 1.00 43.22 H new ATOM 0 HG21 ILE A 92 -1.551 -9.688 -10.465 1.00 24.01 H new ATOM 0 HG22 ILE A 92 -1.589 -10.605 -8.940 1.00 24.01 H new ATOM 0 HG23 ILE A 92 -2.716 -11.017 -10.255 1.00 24.01 H new ATOM 0 HD11 ILE A 92 -3.861 -7.397 -12.076 1.00 54.40 H new ATOM 0 HD12 ILE A 92 -2.696 -7.000 -10.790 1.00 54.40 H new ATOM 0 HD13 ILE A 92 -2.475 -8.470 -11.768 1.00 54.40 H new ATOM 1471 N ASP A 93 -3.280 -11.823 -6.928 1.00 14.32 N ATOM 1472 CA ASP A 93 -2.507 -12.494 -5.890 1.00 62.12 C ATOM 1473 C ASP A 93 -1.226 -13.091 -6.465 1.00 62.12 C ATOM 1474 O ASP A 93 -1.271 -13.969 -7.328 1.00 42.14 O ATOM 1475 CB ASP A 93 -3.344 -13.592 -5.231 1.00 42.15 C ATOM 1476 CG ASP A 93 -3.608 -13.316 -3.763 1.00 75.42 C ATOM 1477 OD1 ASP A 93 -4.240 -12.285 -3.457 1.00 12.40 O ATOM 1478 OD2 ASP A 93 -3.182 -14.134 -2.921 1.00 61.43 O ATOM 0 H ASP A 93 -3.801 -12.452 -7.539 1.00 14.32 H new ATOM 0 HA ASP A 93 -2.235 -11.753 -5.138 1.00 62.12 H new ATOM 0 HB2 ASP A 93 -4.294 -13.686 -5.757 1.00 42.15 H new ATOM 0 HB3 ASP A 93 -2.829 -14.547 -5.331 1.00 42.15 H new ATOM 1483 N VAL A 94 -0.086 -12.607 -5.984 1.00 71.45 N ATOM 1484 CA VAL A 94 1.207 -13.092 -6.450 1.00 74.53 C ATOM 1485 C VAL A 94 1.822 -14.066 -5.451 1.00 43.34 C ATOM 1486 O VAL A 94 1.273 -14.296 -4.372 1.00 74.32 O ATOM 1487 CB VAL A 94 2.190 -11.931 -6.689 1.00 12.01 C ATOM 1488 CG1 VAL A 94 1.702 -11.044 -7.824 1.00 34.11 C ATOM 1489 CG2 VAL A 94 2.379 -11.123 -5.414 1.00 40.13 C ATOM 0 H VAL A 94 -0.032 -11.879 -5.272 1.00 71.45 H new ATOM 0 HA VAL A 94 1.029 -13.608 -7.394 1.00 74.53 H new ATOM 0 HB VAL A 94 3.156 -12.348 -6.975 1.00 12.01 H new ATOM 0 HG11 VAL A 94 2.409 -10.229 -7.979 1.00 34.11 H new ATOM 0 HG12 VAL A 94 1.622 -11.633 -8.738 1.00 34.11 H new ATOM 0 HG13 VAL A 94 0.725 -10.633 -7.570 1.00 34.11 H new ATOM 0 HG21 VAL A 94 3.077 -10.307 -5.601 1.00 40.13 H new ATOM 0 HG22 VAL A 94 1.420 -10.715 -5.096 1.00 40.13 H new ATOM 0 HG23 VAL A 94 2.776 -11.768 -4.630 1.00 40.13 H new ATOM 1499 N LYS A 95 2.966 -14.637 -5.815 1.00 10.34 N ATOM 1500 CA LYS A 95 3.658 -15.585 -4.950 1.00 14.33 C ATOM 1501 C LYS A 95 4.746 -14.887 -4.140 1.00 24.50 C ATOM 1502 O LYS A 95 5.303 -15.465 -3.206 1.00 44.12 O ATOM 1503 CB LYS A 95 4.272 -16.712 -5.785 1.00 42.35 C ATOM 1504 CG LYS A 95 3.608 -18.060 -5.565 1.00 24.34 C ATOM 1505 CD LYS A 95 3.345 -18.773 -6.882 1.00 0.25 C ATOM 1506 CE LYS A 95 4.638 -19.048 -7.634 1.00 15.24 C ATOM 1507 NZ LYS A 95 4.469 -20.119 -8.655 1.00 1.44 N ATOM 0 H LYS A 95 3.433 -14.459 -6.704 1.00 10.34 H new ATOM 0 HA LYS A 95 2.930 -16.008 -4.258 1.00 14.33 H new ATOM 0 HB2 LYS A 95 4.203 -16.450 -6.841 1.00 42.35 H new ATOM 0 HB3 LYS A 95 5.332 -16.795 -5.546 1.00 42.35 H new ATOM 0 HG2 LYS A 95 4.244 -18.681 -4.934 1.00 24.34 H new ATOM 0 HG3 LYS A 95 2.668 -17.921 -5.031 1.00 24.34 H new ATOM 0 HD2 LYS A 95 2.827 -19.713 -6.691 1.00 0.25 H new ATOM 0 HD3 LYS A 95 2.685 -18.165 -7.501 1.00 0.25 H new ATOM 0 HE2 LYS A 95 4.977 -18.133 -8.120 1.00 15.24 H new ATOM 0 HE3 LYS A 95 5.414 -19.340 -6.927 1.00 15.24 H new ATOM 0 HZ1 LYS A 95 5.372 -20.277 -9.146 1.00 1.44 H new ATOM 0 HZ2 LYS A 95 4.170 -20.999 -8.189 1.00 1.44 H new ATOM 0 HZ3 LYS A 95 3.746 -19.830 -9.345 1.00 1.44 H new ATOM 1521 N ASP A 96 5.042 -13.644 -4.502 1.00 63.24 N ATOM 1522 CA ASP A 96 6.062 -12.868 -3.805 1.00 31.15 C ATOM 1523 C ASP A 96 6.256 -11.508 -4.470 1.00 61.14 C ATOM 1524 O ASP A 96 5.586 -11.182 -5.449 1.00 34.12 O ATOM 1525 CB ASP A 96 7.386 -13.632 -3.781 1.00 13.13 C ATOM 1526 CG ASP A 96 7.660 -14.359 -5.084 1.00 42.43 C ATOM 1527 OD1 ASP A 96 7.918 -13.680 -6.099 1.00 10.21 O ATOM 1528 OD2 ASP A 96 7.617 -15.607 -5.085 1.00 10.45 O ATOM 0 H ASP A 96 4.591 -13.152 -5.273 1.00 63.24 H new ATOM 0 HA ASP A 96 5.726 -12.708 -2.780 1.00 31.15 H new ATOM 0 HB2 ASP A 96 8.200 -12.936 -3.579 1.00 13.13 H new ATOM 0 HB3 ASP A 96 7.372 -14.352 -2.963 1.00 13.13 H new ATOM 1533 N THR A 97 7.178 -10.717 -3.928 1.00 25.31 N ATOM 1534 CA THR A 97 7.458 -9.393 -4.465 1.00 13.44 C ATOM 1535 C THR A 97 8.064 -9.482 -5.861 1.00 22.34 C ATOM 1536 O THR A 97 8.230 -8.471 -6.544 1.00 71.41 O ATOM 1537 CB THR A 97 8.419 -8.608 -3.552 1.00 64.03 C ATOM 1538 OG1 THR A 97 7.919 -8.596 -2.209 1.00 20.31 O ATOM 1539 CG2 THR A 97 8.591 -7.179 -4.045 1.00 22.03 C ATOM 0 H THR A 97 7.743 -10.972 -3.118 1.00 25.31 H new ATOM 0 HA THR A 97 6.505 -8.866 -4.518 1.00 13.44 H new ATOM 0 HB THR A 97 9.390 -9.103 -3.575 1.00 64.03 H new ATOM 0 HG1 THR A 97 7.587 -7.700 -1.991 1.00 20.31 H new ATOM 0 HG21 THR A 97 9.274 -6.646 -3.384 1.00 22.03 H new ATOM 0 HG22 THR A 97 8.999 -7.189 -5.056 1.00 22.03 H new ATOM 0 HG23 THR A 97 7.624 -6.677 -4.049 1.00 22.03 H new ATOM 1547 N LYS A 98 8.391 -10.699 -6.282 1.00 43.14 N ATOM 1548 CA LYS A 98 8.976 -10.922 -7.599 1.00 63.31 C ATOM 1549 C LYS A 98 7.889 -11.110 -8.653 1.00 51.41 C ATOM 1550 O LYS A 98 7.814 -10.354 -9.621 1.00 53.41 O ATOM 1551 CB LYS A 98 9.891 -12.149 -7.571 1.00 2.00 C ATOM 1552 CG LYS A 98 11.138 -11.997 -8.425 1.00 13.10 C ATOM 1553 CD LYS A 98 11.303 -13.163 -9.385 1.00 2.52 C ATOM 1554 CE LYS A 98 12.675 -13.156 -10.040 1.00 52.45 C ATOM 1555 NZ LYS A 98 13.084 -14.517 -10.485 1.00 72.52 N ATOM 0 H LYS A 98 8.261 -11.547 -5.730 1.00 43.14 H new ATOM 0 HA LYS A 98 9.564 -10.043 -7.862 1.00 63.31 H new ATOM 0 HB2 LYS A 98 10.188 -12.347 -6.541 1.00 2.00 H new ATOM 0 HB3 LYS A 98 9.330 -13.018 -7.914 1.00 2.00 H new ATOM 0 HG2 LYS A 98 11.083 -11.066 -8.989 1.00 13.10 H new ATOM 0 HG3 LYS A 98 12.015 -11.928 -7.781 1.00 13.10 H new ATOM 0 HD2 LYS A 98 11.160 -14.101 -8.848 1.00 2.52 H new ATOM 0 HD3 LYS A 98 10.532 -13.115 -10.154 1.00 2.52 H new ATOM 0 HE2 LYS A 98 12.665 -12.482 -10.896 1.00 52.45 H new ATOM 0 HE3 LYS A 98 13.411 -12.767 -9.337 1.00 52.45 H new ATOM 0 HZ1 LYS A 98 14.025 -14.470 -10.926 1.00 72.52 H new ATOM 0 HZ2 LYS A 98 13.118 -15.155 -9.664 1.00 72.52 H new ATOM 0 HZ3 LYS A 98 12.395 -14.878 -11.176 1.00 72.52 H new ATOM 1569 N GLU A 99 7.048 -12.120 -8.456 1.00 71.21 N ATOM 1570 CA GLU A 99 5.965 -12.404 -9.390 1.00 4.15 C ATOM 1571 C GLU A 99 5.021 -11.210 -9.509 1.00 34.21 C ATOM 1572 O GLU A 99 4.234 -11.119 -10.450 1.00 24.53 O ATOM 1573 CB GLU A 99 5.185 -13.641 -8.940 1.00 42.22 C ATOM 1574 CG GLU A 99 3.989 -13.961 -9.822 1.00 71.41 C ATOM 1575 CD GLU A 99 3.806 -15.451 -10.038 1.00 42.02 C ATOM 1576 OE1 GLU A 99 4.740 -16.094 -10.560 1.00 13.34 O ATOM 1577 OE2 GLU A 99 2.728 -15.973 -9.684 1.00 33.02 O ATOM 0 H GLU A 99 7.096 -12.755 -7.659 1.00 71.21 H new ATOM 0 HA GLU A 99 6.405 -12.596 -10.368 1.00 4.15 H new ATOM 0 HB2 GLU A 99 5.857 -14.499 -8.928 1.00 42.22 H new ATOM 0 HB3 GLU A 99 4.841 -13.491 -7.917 1.00 42.22 H new ATOM 0 HG2 GLU A 99 3.087 -13.550 -9.368 1.00 71.41 H new ATOM 0 HG3 GLU A 99 4.112 -13.470 -10.787 1.00 71.41 H new ATOM 1584 N ALA A 100 5.109 -10.297 -8.547 1.00 2.23 N ATOM 1585 CA ALA A 100 4.265 -9.108 -8.545 1.00 71.22 C ATOM 1586 C ALA A 100 4.885 -7.993 -9.379 1.00 33.00 C ATOM 1587 O ALA A 100 4.207 -7.356 -10.186 1.00 45.51 O ATOM 1588 CB ALA A 100 4.027 -8.633 -7.119 1.00 53.30 C ATOM 0 H ALA A 100 5.755 -10.358 -7.760 1.00 2.23 H new ATOM 0 HA ALA A 100 3.307 -9.372 -8.994 1.00 71.22 H new ATOM 0 HB1 ALA A 100 3.395 -7.745 -7.132 1.00 53.30 H new ATOM 0 HB2 ALA A 100 3.533 -9.421 -6.551 1.00 53.30 H new ATOM 0 HB3 ALA A 100 4.982 -8.392 -6.651 1.00 53.30 H new ATOM 1594 N LEU A 101 6.179 -7.760 -9.181 1.00 25.52 N ATOM 1595 CA LEU A 101 6.890 -6.720 -9.915 1.00 31.31 C ATOM 1596 C LEU A 101 6.923 -7.033 -11.408 1.00 24.42 C ATOM 1597 O LEU A 101 6.665 -6.163 -12.239 1.00 34.04 O ATOM 1598 CB LEU A 101 8.317 -6.578 -9.381 1.00 23.33 C ATOM 1599 CG LEU A 101 9.001 -5.236 -9.645 1.00 63.00 C ATOM 1600 CD1 LEU A 101 9.240 -5.042 -11.134 1.00 14.02 C ATOM 1601 CD2 LEU A 101 8.168 -4.093 -9.084 1.00 42.12 C ATOM 0 H LEU A 101 6.756 -8.278 -8.518 1.00 25.52 H new ATOM 0 HA LEU A 101 6.358 -5.779 -9.771 1.00 31.31 H new ATOM 0 HB2 LEU A 101 8.300 -6.749 -8.305 1.00 23.33 H new ATOM 0 HB3 LEU A 101 8.928 -7.367 -9.819 1.00 23.33 H new ATOM 0 HG LEU A 101 9.967 -5.237 -9.140 1.00 63.00 H new ATOM 0 HD11 LEU A 101 9.727 -4.082 -11.302 1.00 14.02 H new ATOM 0 HD12 LEU A 101 9.878 -5.843 -11.508 1.00 14.02 H new ATOM 0 HD13 LEU A 101 8.286 -5.062 -11.661 1.00 14.02 H new ATOM 0 HD21 LEU A 101 8.670 -3.146 -9.281 1.00 42.12 H new ATOM 0 HD22 LEU A 101 7.187 -4.090 -9.560 1.00 42.12 H new ATOM 0 HD23 LEU A 101 8.049 -4.223 -8.008 1.00 42.12 H new ATOM 1613 N ASP A 102 7.238 -8.280 -11.739 1.00 2.24 N ATOM 1614 CA ASP A 102 7.301 -8.709 -13.131 1.00 0.33 C ATOM 1615 C ASP A 102 5.950 -8.527 -13.817 1.00 2.45 C ATOM 1616 O ASP A 102 5.876 -8.055 -14.953 1.00 73.34 O ATOM 1617 CB ASP A 102 7.736 -10.173 -13.218 1.00 55.50 C ATOM 1618 CG ASP A 102 8.807 -10.396 -14.268 1.00 15.00 C ATOM 1619 OD1 ASP A 102 8.623 -9.931 -15.412 1.00 51.21 O ATOM 1620 OD2 ASP A 102 9.829 -11.038 -13.946 1.00 51.22 O ATOM 0 H ASP A 102 7.454 -9.012 -11.062 1.00 2.24 H new ATOM 0 HA ASP A 102 8.036 -8.088 -13.643 1.00 0.33 H new ATOM 0 HB2 ASP A 102 8.110 -10.496 -12.247 1.00 55.50 H new ATOM 0 HB3 ASP A 102 6.870 -10.793 -13.449 1.00 55.50 H new