USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 695 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 90 LYS NZ :NH3+ -141:sc= -0.0104 (180deg=-0.635) USER MOD Set 1.2: A 94 GLN :FLIP amide:sc= 0.0973 F(o=-0.65,f=0.087) USER MOD Set 2.1: A 82 GLN : amide:sc= -0.0508 K(o=-0.097,f=-1.4) USER MOD Set 2.2: A 84 TYR OH : rot 180:sc= -0.046 USER MOD Set 3.1: A 66 THR OG1 : rot -69:sc= 0.897 USER MOD Set 3.2: A 121 TYR OH : rot -3:sc= 0.915 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -158:sc= -0.248 (180deg=-1.62!) USER MOD Single : A 60 ASN : amide:sc= -1.96 K(o=-2,f=-3.1!) USER MOD Single : A 62 ASN : amide:sc= -1.8! X(o=-1.8!,f=-1.9) USER MOD Single : A 63 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 69 LYS NZ :NH3+ 164:sc= -0.386 (180deg=-0.904) USER MOD Single : A 77 GLN :FLIP amide:sc= -1.47 F(o=-3.8!,f=-1.5) USER MOD Single : A 78 MET CE :methyl 177:sc= -2.34 (180deg=-2.55) USER MOD Single : A 80 ASN : amide:sc= 0.282 X(o=0.28,f=0) USER MOD Single : A 92 MET CE :methyl -122:sc= -0.626 (180deg=-1.91) USER MOD Single : A 93 SER OG : rot 98:sc= 0.241 USER MOD Single : A 97 ASN : amide:sc= -4.82! C(o=-4.8!,f=-9.8!) USER MOD Single : A 98 ASN : amide:sc= -0.0351 K(o=-0.035,f=-2.1!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.027) USER MOD Single : A 108 SER OG : rot 180:sc= -1.37! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -68:sc= 0.887 USER MOD Single : A 120 LYS NZ :NH3+ -107:sc= -5.31! (180deg=-9.68!) USER MOD Single : A 125 GLN : amide:sc= -2.54 K(o=-2.5,f=-3.1!) USER MOD Single : A 126 TYR OH : rot -140:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 106 N ARG A 36 1.839 -9.509 -2.830 1.00 0.00 N ATOM 107 CA ARG A 36 0.846 -8.852 -3.661 1.00 0.00 C ATOM 108 C ARG A 36 0.875 -9.460 -5.058 1.00 0.00 C ATOM 109 O ARG A 36 1.939 -9.821 -5.560 1.00 0.00 O ATOM 110 CB ARG A 36 1.152 -7.357 -3.748 1.00 0.00 C ATOM 111 CG ARG A 36 1.039 -6.724 -2.361 1.00 0.00 C ATOM 112 CD ARG A 36 1.323 -5.228 -2.473 1.00 0.00 C ATOM 113 NE ARG A 36 0.369 -4.613 -3.388 1.00 0.00 N ATOM 114 CZ ARG A 36 -0.906 -4.462 -3.050 1.00 0.00 C ATOM 115 NH1 ARG A 36 -1.309 -4.810 -1.859 1.00 0.00 N ATOM 116 NH2 ARG A 36 -1.754 -3.956 -3.904 1.00 0.00 N ATOM 0 HA ARG A 36 -0.142 -8.991 -3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.155 -7.204 -4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.458 -6.874 -4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.042 -6.888 -1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.746 -7.191 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.253 -4.760 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.340 -5.067 -2.831 1.00 0.00 H new ATOM 0 HE ARG A 36 0.686 -4.293 -4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.645 -5.198 -1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.288 -4.695 -1.598 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.437 -3.676 -4.832 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.733 -3.841 -3.643 1.00 0.00 H new ATOM 130 N ARG A 37 -0.282 -9.561 -5.690 1.00 0.00 N ATOM 131 CA ARG A 37 -0.336 -10.117 -7.032 1.00 0.00 C ATOM 132 C ARG A 37 -1.391 -9.420 -7.873 1.00 0.00 C ATOM 133 O ARG A 37 -2.506 -9.155 -7.423 1.00 0.00 O ATOM 134 CB ARG A 37 -0.634 -11.620 -6.995 1.00 0.00 C ATOM 135 CG ARG A 37 -0.736 -12.161 -8.429 1.00 0.00 C ATOM 136 CD ARG A 37 -1.381 -13.545 -8.416 1.00 0.00 C ATOM 137 NE ARG A 37 -2.058 -13.787 -9.683 1.00 0.00 N ATOM 138 CZ ARG A 37 -3.324 -13.424 -9.866 1.00 0.00 C ATOM 139 NH1 ARG A 37 -3.973 -12.812 -8.912 1.00 0.00 N ATOM 140 NH2 ARG A 37 -3.915 -13.673 -11.002 1.00 0.00 N ATOM 0 H ARG A 37 -1.181 -9.272 -5.305 1.00 0.00 H new ATOM 0 HA ARG A 37 0.643 -9.957 -7.484 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.154 -12.144 -6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.566 -11.803 -6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.326 -11.481 -9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.256 -12.216 -8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.621 -14.308 -8.248 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.093 -13.617 -7.594 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.552 -14.243 -10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.509 -12.612 -8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.944 -12.534 -9.053 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.406 -14.146 -11.749 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.886 -13.395 -11.143 1.00 0.00 H new ATOM 154 N GLU A 38 -1.014 -9.149 -9.106 1.00 0.00 N ATOM 155 CA GLU A 38 -1.905 -8.507 -10.051 1.00 0.00 C ATOM 156 C GLU A 38 -1.839 -9.234 -11.381 1.00 0.00 C ATOM 157 O GLU A 38 -0.768 -9.638 -11.830 1.00 0.00 O ATOM 158 CB GLU A 38 -1.516 -7.038 -10.238 1.00 0.00 C ATOM 159 CG GLU A 38 -1.928 -6.233 -9.002 1.00 0.00 C ATOM 160 CD GLU A 38 -0.934 -6.476 -7.875 1.00 0.00 C ATOM 161 OE1 GLU A 38 0.013 -7.211 -8.100 1.00 0.00 O ATOM 162 OE2 GLU A 38 -1.135 -5.930 -6.802 1.00 0.00 O ATOM 0 H GLU A 38 -0.090 -9.365 -9.479 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.923 -8.548 -9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.441 -6.954 -10.397 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.002 -6.633 -11.126 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.965 -5.171 -9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.930 -6.523 -8.685 1.00 0.00 H new ATOM 169 N LEU A 39 -2.989 -9.386 -12.014 1.00 0.00 N ATOM 170 CA LEU A 39 -3.049 -10.050 -13.300 1.00 0.00 C ATOM 171 C LEU A 39 -3.989 -9.281 -14.213 1.00 0.00 C ATOM 172 O LEU A 39 -5.073 -8.874 -13.794 1.00 0.00 O ATOM 173 CB LEU A 39 -3.530 -11.494 -13.141 1.00 0.00 C ATOM 174 CG LEU A 39 -3.284 -12.257 -14.448 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.359 -13.763 -14.185 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.343 -11.866 -15.481 1.00 0.00 C ATOM 0 H LEU A 39 -3.888 -9.060 -11.659 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.051 -10.073 -13.737 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.001 -11.977 -12.319 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.591 -11.511 -12.891 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.295 -12.004 -14.831 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.184 -14.304 -15.115 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.600 -14.043 -13.454 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.346 -14.016 -13.798 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.165 -12.410 -16.408 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.333 -12.114 -15.099 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.286 -10.794 -15.672 1.00 0.00 H new ATOM 188 N ALA A 40 -3.579 -9.072 -15.455 1.00 0.00 N ATOM 189 CA ALA A 40 -4.415 -8.334 -16.389 1.00 0.00 C ATOM 190 C ALA A 40 -4.489 -9.050 -17.730 1.00 0.00 C ATOM 191 O ALA A 40 -3.501 -9.608 -18.208 1.00 0.00 O ATOM 192 CB ALA A 40 -3.854 -6.923 -16.587 1.00 0.00 C ATOM 0 H ALA A 40 -2.689 -9.396 -15.834 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.421 -8.270 -15.974 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.485 -6.376 -17.288 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.836 -6.401 -15.630 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.841 -6.987 -16.984 1.00 0.00 H new ATOM 198 N CYS A 41 -5.681 -9.051 -18.318 1.00 0.00 N ATOM 199 CA CYS A 41 -5.898 -9.720 -19.592 1.00 0.00 C ATOM 200 C CYS A 41 -5.100 -9.049 -20.704 1.00 0.00 C ATOM 201 O CYS A 41 -5.038 -7.822 -20.783 1.00 0.00 O ATOM 202 CB CYS A 41 -7.388 -9.679 -19.930 1.00 0.00 C ATOM 203 SG CYS A 41 -8.337 -10.257 -18.503 1.00 0.00 S ATOM 0 H CYS A 41 -6.509 -8.597 -17.932 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.561 -10.753 -19.508 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.686 -8.664 -20.193 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.594 -10.306 -20.797 1.00 0.00 H new ATOM 208 N GLU A 42 -4.471 -9.862 -21.552 1.00 0.00 N ATOM 209 CA GLU A 42 -3.661 -9.334 -22.643 1.00 0.00 C ATOM 210 C GLU A 42 -4.367 -8.222 -23.409 1.00 0.00 C ATOM 211 O GLU A 42 -5.521 -8.356 -23.812 1.00 0.00 O ATOM 212 CB GLU A 42 -3.299 -10.451 -23.624 1.00 0.00 C ATOM 213 CG GLU A 42 -2.467 -9.863 -24.769 1.00 0.00 C ATOM 214 CD GLU A 42 -2.158 -10.934 -25.808 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.654 -12.036 -25.660 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.430 -10.634 -26.738 1.00 0.00 O ATOM 0 H GLU A 42 -4.507 -10.880 -21.504 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.762 -8.918 -22.189 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.736 -11.232 -23.113 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.204 -10.915 -24.016 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.009 -9.041 -25.236 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.538 -9.450 -24.376 1.00 0.00 H new ATOM 223 N GLY A 43 -3.631 -7.141 -23.643 1.00 0.00 N ATOM 224 CA GLY A 43 -4.146 -6.011 -24.405 1.00 0.00 C ATOM 225 C GLY A 43 -4.734 -4.907 -23.536 1.00 0.00 C ATOM 226 O GLY A 43 -4.975 -3.806 -24.029 1.00 0.00 O ATOM 0 H GLY A 43 -2.673 -7.024 -23.314 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.341 -5.595 -25.011 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.912 -6.367 -25.094 1.00 0.00 H new ATOM 230 N TYR A 44 -4.972 -5.169 -22.255 1.00 0.00 N ATOM 231 CA TYR A 44 -5.533 -4.137 -21.390 1.00 0.00 C ATOM 232 C TYR A 44 -4.486 -3.616 -20.411 1.00 0.00 C ATOM 233 O TYR A 44 -3.619 -4.362 -19.961 1.00 0.00 O ATOM 234 CB TYR A 44 -6.714 -4.698 -20.601 1.00 0.00 C ATOM 235 CG TYR A 44 -7.783 -5.155 -21.556 1.00 0.00 C ATOM 236 CD1 TYR A 44 -7.755 -6.458 -22.063 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.805 -4.279 -21.930 1.00 0.00 C ATOM 238 CE1 TYR A 44 -8.752 -6.885 -22.946 1.00 0.00 C ATOM 239 CE2 TYR A 44 -9.804 -4.707 -22.811 1.00 0.00 C ATOM 240 CZ TYR A 44 -9.778 -6.010 -23.320 1.00 0.00 C ATOM 241 OH TYR A 44 -10.764 -6.431 -24.188 1.00 0.00 O ATOM 0 H TYR A 44 -4.791 -6.064 -21.801 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.867 -3.315 -22.024 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.387 -5.531 -19.979 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.112 -3.936 -19.930 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.964 -7.134 -21.773 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.824 -3.272 -21.539 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.730 -7.891 -23.339 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.596 -4.031 -23.098 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.399 -5.700 -24.341 1.00 0.00 H new ATOM 251 N PRO A 45 -4.561 -2.361 -20.065 1.00 0.00 N ATOM 252 CA PRO A 45 -3.607 -1.740 -19.107 1.00 0.00 C ATOM 253 C PRO A 45 -3.728 -2.338 -17.709 1.00 0.00 C ATOM 254 O PRO A 45 -4.813 -2.734 -17.283 1.00 0.00 O ATOM 255 CB PRO A 45 -3.976 -0.251 -19.105 1.00 0.00 C ATOM 256 CG PRO A 45 -5.340 -0.153 -19.707 1.00 0.00 C ATOM 257 CD PRO A 45 -5.561 -1.404 -20.555 1.00 0.00 C ATOM 0 HA PRO A 45 -2.572 -1.914 -19.402 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.969 0.149 -18.091 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.255 0.329 -19.681 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.098 -0.080 -18.927 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.425 0.745 -20.319 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.573 -1.791 -20.435 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.423 -1.194 -21.616 1.00 0.00 H new ATOM 265 N ILE A 46 -2.608 -2.391 -17.000 1.00 0.00 N ATOM 266 CA ILE A 46 -2.595 -2.931 -15.642 1.00 0.00 C ATOM 267 C ILE A 46 -2.173 -1.838 -14.664 1.00 0.00 C ATOM 268 O ILE A 46 -1.388 -0.957 -15.014 1.00 0.00 O ATOM 269 CB ILE A 46 -1.631 -4.113 -15.547 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.776 -4.781 -14.176 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.196 -3.617 -15.719 1.00 0.00 C ATOM 272 CD1 ILE A 46 -1.017 -6.108 -14.174 1.00 0.00 C ATOM 0 H ILE A 46 -1.701 -2.069 -17.338 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.597 -3.279 -15.390 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.864 -4.834 -16.331 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.386 -4.126 -13.397 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.829 -4.952 -13.952 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.491 -4.460 -15.651 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.090 -3.140 -16.693 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.036 -2.896 -14.935 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.119 -6.584 -13.199 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.427 -6.763 -14.943 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.038 -5.924 -14.379 1.00 0.00 H new ATOM 284 N GLU A 47 -2.705 -1.880 -13.449 1.00 0.00 N ATOM 285 CA GLU A 47 -2.371 -0.854 -12.470 1.00 0.00 C ATOM 286 C GLU A 47 -1.792 -1.446 -11.197 1.00 0.00 C ATOM 287 O GLU A 47 -2.381 -2.336 -10.584 1.00 0.00 O ATOM 288 CB GLU A 47 -3.611 -0.044 -12.103 1.00 0.00 C ATOM 289 CG GLU A 47 -3.200 1.114 -11.193 1.00 0.00 C ATOM 290 CD GLU A 47 -4.443 1.823 -10.671 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.365 1.136 -10.263 1.00 0.00 O ATOM 292 OE2 GLU A 47 -4.455 3.041 -10.686 1.00 0.00 O ATOM 0 H GLU A 47 -3.355 -2.596 -13.123 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.620 -0.214 -12.933 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.091 0.338 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.339 -0.679 -11.598 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.605 0.741 -10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.573 1.816 -11.742 1.00 0.00 H new ATOM 299 N LEU A 48 -0.655 -0.908 -10.781 1.00 0.00 N ATOM 300 CA LEU A 48 -0.020 -1.342 -9.553 1.00 0.00 C ATOM 301 C LEU A 48 0.043 -0.170 -8.589 1.00 0.00 C ATOM 302 O LEU A 48 0.361 0.950 -8.992 1.00 0.00 O ATOM 303 CB LEU A 48 1.383 -1.871 -9.833 1.00 0.00 C ATOM 304 CG LEU A 48 1.296 -2.953 -10.904 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.672 -3.591 -11.104 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.292 -4.025 -10.471 1.00 0.00 C ATOM 0 H LEU A 48 -0.156 -0.170 -11.278 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.603 -2.150 -9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.032 -1.061 -10.167 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.822 -2.277 -8.922 1.00 0.00 H new ATOM 0 HG LEU A 48 0.966 -2.506 -11.842 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.607 -4.364 -11.870 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.385 -2.828 -11.418 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.006 -4.036 -10.167 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.231 -4.797 -11.238 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.619 -4.471 -9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.689 -3.571 -10.335 1.00 0.00 H new ATOM 318 N ARG A 49 -0.256 -0.415 -7.324 1.00 0.00 N ATOM 319 CA ARG A 49 -0.219 0.657 -6.332 1.00 0.00 C ATOM 320 C ARG A 49 0.156 0.110 -4.960 1.00 0.00 C ATOM 321 O ARG A 49 -0.461 -0.833 -4.469 1.00 0.00 O ATOM 322 CB ARG A 49 -1.586 1.349 -6.226 1.00 0.00 C ATOM 323 CG ARG A 49 -1.897 2.121 -7.511 1.00 0.00 C ATOM 324 CD ARG A 49 -3.192 2.922 -7.323 1.00 0.00 C ATOM 325 NE ARG A 49 -3.607 3.519 -8.590 1.00 0.00 N ATOM 326 CZ ARG A 49 -4.441 4.557 -8.627 1.00 0.00 C ATOM 327 NH1 ARG A 49 -4.925 5.049 -7.521 1.00 0.00 N ATOM 328 NH2 ARG A 49 -4.779 5.082 -9.773 1.00 0.00 N ATOM 0 H ARG A 49 -0.523 -1.329 -6.960 1.00 0.00 H new ATOM 0 HA ARG A 49 0.532 1.377 -6.658 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.363 0.607 -6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.590 2.030 -5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.073 2.792 -7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.002 1.430 -8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.979 2.270 -6.945 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.040 3.703 -6.578 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.251 3.133 -9.464 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.665 4.639 -6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.563 5.844 -7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.405 4.697 -10.640 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.418 5.877 -9.801 1.00 0.00 H new ATOM 342 N CYS A 50 1.163 0.718 -4.340 1.00 0.00 N ATOM 343 CA CYS A 50 1.594 0.288 -3.017 1.00 0.00 C ATOM 344 C CYS A 50 0.933 1.136 -1.937 1.00 0.00 C ATOM 345 O CYS A 50 0.632 2.311 -2.150 1.00 0.00 O ATOM 346 CB CYS A 50 3.114 0.399 -2.886 1.00 0.00 C ATOM 347 SG CYS A 50 3.900 -1.118 -3.494 1.00 0.00 S ATOM 0 H CYS A 50 1.690 1.501 -4.728 1.00 0.00 H new ATOM 0 HA CYS A 50 1.297 -0.753 -2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.475 1.258 -3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.386 0.567 -1.844 1.00 0.00 H new ATOM 352 N PRO A 51 0.707 0.559 -0.789 1.00 0.00 N ATOM 353 CA PRO A 51 0.069 1.262 0.360 1.00 0.00 C ATOM 354 C PRO A 51 0.997 2.287 1.006 1.00 0.00 C ATOM 355 O PRO A 51 2.220 2.184 0.907 1.00 0.00 O ATOM 356 CB PRO A 51 -0.256 0.136 1.345 1.00 0.00 C ATOM 357 CG PRO A 51 0.712 -0.957 1.030 1.00 0.00 C ATOM 358 CD PRO A 51 1.040 -0.836 -0.458 1.00 0.00 C ATOM 0 HA PRO A 51 -0.806 1.831 0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.147 0.472 2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.285 -0.204 1.228 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.614 -0.861 1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.281 -1.933 1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.090 -1.052 -0.653 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.455 -1.537 -1.053 1.00 0.00 H new ATOM 366 N GLY A 52 0.405 3.257 1.694 1.00 0.00 N ATOM 367 CA GLY A 52 1.178 4.279 2.385 1.00 0.00 C ATOM 368 C GLY A 52 2.255 4.882 1.488 1.00 0.00 C ATOM 369 O GLY A 52 2.014 5.207 0.326 1.00 0.00 O ATOM 0 H GLY A 52 -0.606 3.356 1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.510 5.068 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.644 3.845 3.270 1.00 0.00 H new ATOM 373 N SER A 53 3.448 5.018 2.057 1.00 0.00 N ATOM 374 CA SER A 53 4.590 5.572 1.336 1.00 0.00 C ATOM 375 C SER A 53 5.531 4.464 0.877 1.00 0.00 C ATOM 376 O SER A 53 6.723 4.697 0.652 1.00 0.00 O ATOM 377 CB SER A 53 5.339 6.566 2.219 1.00 0.00 C ATOM 378 OG SER A 53 5.994 5.866 3.268 1.00 0.00 O ATOM 0 H SER A 53 3.650 4.751 3.020 1.00 0.00 H new ATOM 0 HA SER A 53 4.217 6.092 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.067 7.119 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.644 7.297 2.633 1.00 0.00 H new ATOM 0 HG SER A 53 6.477 6.503 3.835 1.00 0.00 H new ATOM 384 N ASP A 54 4.992 3.259 0.732 1.00 0.00 N ATOM 385 CA ASP A 54 5.787 2.132 0.277 1.00 0.00 C ATOM 386 C ASP A 54 5.969 2.214 -1.232 1.00 0.00 C ATOM 387 O ASP A 54 5.256 2.957 -1.909 1.00 0.00 O ATOM 388 CB ASP A 54 5.102 0.816 0.642 1.00 0.00 C ATOM 389 CG ASP A 54 4.971 0.688 2.155 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.701 1.371 2.853 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.142 -0.093 2.593 1.00 0.00 O ATOM 0 H ASP A 54 4.014 3.041 0.922 1.00 0.00 H new ATOM 0 HA ASP A 54 6.761 2.167 0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.116 0.771 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.677 -0.022 0.248 1.00 0.00 H new ATOM 396 N VAL A 55 6.911 1.449 -1.763 1.00 0.00 N ATOM 397 CA VAL A 55 7.145 1.457 -3.201 1.00 0.00 C ATOM 398 C VAL A 55 7.066 0.048 -3.765 1.00 0.00 C ATOM 399 O VAL A 55 7.439 -0.920 -3.102 1.00 0.00 O ATOM 400 CB VAL A 55 8.522 2.043 -3.516 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.565 3.506 -3.082 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.598 1.259 -2.758 1.00 0.00 C ATOM 0 H VAL A 55 7.517 0.824 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 55 6.373 2.074 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 55 8.707 1.974 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.547 3.923 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.800 4.067 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.379 3.573 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.579 1.677 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.411 1.328 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.570 0.213 -3.065 1.00 0.00 H new ATOM 412 N ILE A 56 6.579 -0.057 -4.996 1.00 0.00 N ATOM 413 CA ILE A 56 6.460 -1.350 -5.649 1.00 0.00 C ATOM 414 C ILE A 56 7.837 -1.932 -5.942 1.00 0.00 C ATOM 415 O ILE A 56 8.708 -1.247 -6.479 1.00 0.00 O ATOM 416 CB ILE A 56 5.688 -1.209 -6.961 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.292 -0.641 -6.681 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.562 -2.580 -7.624 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.536 -0.465 -8.000 1.00 0.00 C ATOM 0 H ILE A 56 6.263 0.734 -5.557 1.00 0.00 H new ATOM 0 HA ILE A 56 5.923 -2.020 -4.977 1.00 0.00 H new ATOM 0 HB ILE A 56 6.223 -0.531 -7.626 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.741 -1.311 -6.021 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.374 0.316 -6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.012 -2.482 -8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.556 -2.979 -7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.028 -3.258 -6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.544 -0.061 -7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.084 0.222 -8.645 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.441 -1.431 -8.497 1.00 0.00 H new ATOM 431 N MET A 57 8.015 -3.204 -5.619 1.00 0.00 N ATOM 432 CA MET A 57 9.276 -3.877 -5.885 1.00 0.00 C ATOM 433 C MET A 57 8.993 -5.200 -6.588 1.00 0.00 C ATOM 434 O MET A 57 8.613 -6.192 -5.965 1.00 0.00 O ATOM 435 CB MET A 57 10.066 -4.079 -4.585 1.00 0.00 C ATOM 436 CG MET A 57 9.619 -5.349 -3.865 1.00 0.00 C ATOM 437 SD MET A 57 10.179 -5.277 -2.145 1.00 0.00 S ATOM 438 CE MET A 57 11.892 -4.795 -2.485 1.00 0.00 C ATOM 0 H MET A 57 7.306 -3.788 -5.175 1.00 0.00 H new ATOM 0 HA MET A 57 9.894 -3.261 -6.538 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.131 -4.139 -4.808 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.925 -3.218 -3.932 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.534 -5.442 -3.904 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.033 -6.228 -4.359 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.521 -5.063 -1.636 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.246 -5.313 -3.376 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.942 -3.718 -2.648 1.00 0.00 H new ATOM 448 N VAL A 58 9.147 -5.169 -7.909 1.00 0.00 N ATOM 449 CA VAL A 58 8.882 -6.336 -8.743 1.00 0.00 C ATOM 450 C VAL A 58 9.869 -7.462 -8.474 1.00 0.00 C ATOM 451 O VAL A 58 11.082 -7.281 -8.582 1.00 0.00 O ATOM 452 CB VAL A 58 8.957 -5.952 -10.218 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.535 -7.147 -11.074 1.00 0.00 C ATOM 454 CG2 VAL A 58 8.021 -4.769 -10.484 1.00 0.00 C ATOM 0 H VAL A 58 9.455 -4.345 -8.426 1.00 0.00 H new ATOM 0 HA VAL A 58 7.881 -6.690 -8.495 1.00 0.00 H new ATOM 0 HB VAL A 58 9.978 -5.668 -10.472 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.587 -6.876 -12.128 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.203 -7.986 -10.881 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.513 -7.432 -10.823 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.073 -4.493 -11.537 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.998 -5.051 -10.233 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.324 -3.920 -9.871 1.00 0.00 H new ATOM 464 N GLU A 59 9.339 -8.633 -8.141 1.00 0.00 N ATOM 465 CA GLU A 59 10.185 -9.790 -7.882 1.00 0.00 C ATOM 466 C GLU A 59 10.050 -10.806 -9.014 1.00 0.00 C ATOM 467 O GLU A 59 11.050 -11.310 -9.524 1.00 0.00 O ATOM 468 CB GLU A 59 9.818 -10.431 -6.540 1.00 0.00 C ATOM 469 CG GLU A 59 10.093 -9.428 -5.411 1.00 0.00 C ATOM 470 CD GLU A 59 9.828 -10.066 -4.050 1.00 0.00 C ATOM 471 OE1 GLU A 59 9.484 -11.236 -4.020 1.00 0.00 O ATOM 472 OE2 GLU A 59 9.980 -9.377 -3.057 1.00 0.00 O ATOM 0 H GLU A 59 8.338 -8.805 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 59 11.223 -9.460 -7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.767 -10.721 -6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.400 -11.339 -6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.127 -9.087 -5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.461 -8.549 -5.536 1.00 0.00 H new ATOM 479 N ASN A 60 8.811 -11.106 -9.405 1.00 0.00 N ATOM 480 CA ASN A 60 8.580 -12.069 -10.476 1.00 0.00 C ATOM 481 C ASN A 60 7.341 -11.684 -11.276 1.00 0.00 C ATOM 482 O ASN A 60 6.372 -11.154 -10.737 1.00 0.00 O ATOM 483 CB ASN A 60 8.377 -13.473 -9.896 1.00 0.00 C ATOM 484 CG ASN A 60 9.437 -13.778 -8.840 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.633 -13.689 -9.113 1.00 0.00 O ATOM 486 ND2 ASN A 60 9.062 -14.139 -7.642 1.00 0.00 N ATOM 0 H ASN A 60 7.965 -10.702 -9.002 1.00 0.00 H new ATOM 0 HA ASN A 60 9.453 -12.065 -11.128 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.384 -13.549 -9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.428 -14.213 -10.695 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.762 -14.348 -6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.069 -14.212 -7.419 1.00 0.00 H new ATOM 493 N ALA A 61 7.389 -11.961 -12.572 1.00 0.00 N ATOM 494 CA ALA A 61 6.279 -11.645 -13.457 1.00 0.00 C ATOM 495 C ALA A 61 6.433 -12.412 -14.763 1.00 0.00 C ATOM 496 O ALA A 61 7.537 -12.812 -15.129 1.00 0.00 O ATOM 497 CB ALA A 61 6.248 -10.141 -13.736 1.00 0.00 C ATOM 0 H ALA A 61 8.184 -12.403 -13.032 1.00 0.00 H new ATOM 0 HA ALA A 61 5.344 -11.935 -12.979 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.414 -9.911 -14.399 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.125 -9.599 -12.798 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.182 -9.839 -14.210 1.00 0.00 H new ATOM 503 N ASN A 62 5.322 -12.636 -15.449 1.00 0.00 N ATOM 504 CA ASN A 62 5.355 -13.383 -16.699 1.00 0.00 C ATOM 505 C ASN A 62 4.294 -12.879 -17.671 1.00 0.00 C ATOM 506 O ASN A 62 3.155 -12.625 -17.280 1.00 0.00 O ATOM 507 CB ASN A 62 5.110 -14.865 -16.405 1.00 0.00 C ATOM 508 CG ASN A 62 5.392 -15.703 -17.646 1.00 0.00 C ATOM 509 OD1 ASN A 62 6.544 -16.033 -17.929 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.399 -16.062 -18.411 1.00 0.00 N ATOM 0 H ASN A 62 4.396 -12.316 -15.166 1.00 0.00 H new ATOM 0 HA ASN A 62 6.334 -13.244 -17.159 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.750 -15.191 -15.585 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.079 -15.014 -16.084 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.575 -16.618 -19.248 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.446 -15.786 -18.173 1.00 0.00 H new ATOM 517 N TYR A 63 4.659 -12.771 -18.947 1.00 0.00 N ATOM 518 CA TYR A 63 3.715 -12.336 -19.970 1.00 0.00 C ATOM 519 C TYR A 63 3.501 -13.488 -20.936 1.00 0.00 C ATOM 520 O TYR A 63 4.444 -13.952 -21.576 1.00 0.00 O ATOM 521 CB TYR A 63 4.262 -11.125 -20.731 1.00 0.00 C ATOM 522 CG TYR A 63 3.288 -10.722 -21.816 1.00 0.00 C ATOM 523 CD1 TYR A 63 1.996 -10.297 -21.476 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.680 -10.762 -23.160 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.099 -9.915 -22.481 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.780 -10.381 -24.165 1.00 0.00 C ATOM 527 CZ TYR A 63 1.491 -9.957 -23.825 1.00 0.00 C ATOM 528 OH TYR A 63 0.609 -9.579 -24.814 1.00 0.00 O ATOM 0 H TYR A 63 5.596 -12.978 -19.294 1.00 0.00 H new ATOM 0 HA TYR A 63 2.775 -12.046 -19.500 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.421 -10.293 -20.044 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.230 -11.366 -21.169 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.693 -10.264 -20.440 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.676 -11.087 -23.422 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.104 -9.588 -22.220 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.082 -10.415 -25.201 1.00 0.00 H new ATOM 0 HH TYR A 63 1.041 -9.667 -25.689 1.00 0.00 H new ATOM 538 N GLY A 64 2.275 -13.972 -21.015 1.00 0.00 N ATOM 539 CA GLY A 64 1.993 -15.103 -21.887 1.00 0.00 C ATOM 540 C GLY A 64 0.709 -15.792 -21.458 1.00 0.00 C ATOM 541 O GLY A 64 -0.291 -15.140 -21.166 1.00 0.00 O ATOM 0 H GLY A 64 1.473 -13.611 -20.499 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.904 -14.762 -22.919 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.821 -15.811 -21.856 1.00 0.00 H new ATOM 545 N ARG A 65 0.756 -17.118 -21.417 1.00 0.00 N ATOM 546 CA ARG A 65 -0.407 -17.894 -21.014 1.00 0.00 C ATOM 547 C ARG A 65 -0.003 -19.251 -20.462 1.00 0.00 C ATOM 548 O ARG A 65 0.565 -20.084 -21.169 1.00 0.00 O ATOM 549 CB ARG A 65 -1.360 -18.099 -22.186 1.00 0.00 C ATOM 550 CG ARG A 65 -2.307 -19.250 -21.843 1.00 0.00 C ATOM 551 CD ARG A 65 -3.556 -19.170 -22.716 1.00 0.00 C ATOM 552 NE ARG A 65 -4.540 -18.288 -22.101 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.430 -17.644 -22.838 1.00 0.00 C ATOM 554 NH1 ARG A 65 -5.400 -17.768 -24.134 1.00 0.00 N ATOM 555 NH2 ARG A 65 -6.314 -16.873 -22.272 1.00 0.00 N ATOM 0 H ARG A 65 1.578 -17.672 -21.655 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.912 -17.327 -20.231 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.926 -17.187 -22.379 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.801 -18.326 -23.094 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.805 -20.205 -21.998 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.585 -19.203 -20.790 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.294 -18.800 -23.707 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.981 -20.165 -22.849 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.542 -18.166 -21.088 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.694 -18.358 -24.574 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.083 -17.275 -24.709 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.321 -16.764 -21.258 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.999 -16.378 -22.843 1.00 0.00 H new ATOM 569 N THR A 66 -0.327 -19.470 -19.196 1.00 0.00 N ATOM 570 CA THR A 66 -0.028 -20.735 -18.546 1.00 0.00 C ATOM 571 C THR A 66 -1.319 -21.324 -18.003 1.00 0.00 C ATOM 572 O THR A 66 -1.313 -22.342 -17.310 1.00 0.00 O ATOM 573 CB THR A 66 0.956 -20.527 -17.392 1.00 0.00 C ATOM 574 OG1 THR A 66 0.245 -20.061 -16.253 1.00 0.00 O ATOM 575 CG2 THR A 66 2.019 -19.498 -17.784 1.00 0.00 C ATOM 0 H THR A 66 -0.796 -18.788 -18.600 1.00 0.00 H new ATOM 0 HA THR A 66 0.423 -21.411 -19.272 1.00 0.00 H new ATOM 0 HB THR A 66 1.447 -21.473 -17.164 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.075 -19.149 -16.418 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.713 -19.358 -16.955 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.564 -19.853 -18.658 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.537 -18.548 -18.018 1.00 0.00 H new ATOM 583 N ASP A 67 -2.426 -20.661 -18.324 1.00 0.00 N ATOM 584 CA ASP A 67 -3.737 -21.100 -17.870 1.00 0.00 C ATOM 585 C ASP A 67 -4.795 -20.771 -18.917 1.00 0.00 C ATOM 586 O ASP A 67 -4.636 -19.832 -19.697 1.00 0.00 O ATOM 587 CB ASP A 67 -4.087 -20.405 -16.557 1.00 0.00 C ATOM 588 CG ASP A 67 -5.231 -21.139 -15.873 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.622 -22.180 -16.375 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.700 -20.653 -14.858 1.00 0.00 O ATOM 0 H ASP A 67 -2.439 -19.817 -18.897 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.712 -22.179 -17.716 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.215 -20.383 -15.903 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.369 -19.370 -16.747 1.00 0.00 H new ATOM 595 N ASP A 68 -5.882 -21.535 -18.921 1.00 0.00 N ATOM 596 CA ASP A 68 -6.962 -21.294 -19.872 1.00 0.00 C ATOM 597 C ASP A 68 -8.221 -20.838 -19.143 1.00 0.00 C ATOM 598 O ASP A 68 -9.266 -20.631 -19.758 1.00 0.00 O ATOM 599 CB ASP A 68 -7.255 -22.572 -20.664 1.00 0.00 C ATOM 600 CG ASP A 68 -7.880 -23.620 -19.752 1.00 0.00 C ATOM 601 OD1 ASP A 68 -8.370 -23.247 -18.704 1.00 0.00 O ATOM 602 OD2 ASP A 68 -7.866 -24.782 -20.123 1.00 0.00 O ATOM 0 H ASP A 68 -6.038 -22.317 -18.285 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.651 -20.508 -20.560 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.929 -22.350 -21.492 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.333 -22.959 -21.098 1.00 0.00 H new ATOM 607 N LYS A 69 -8.116 -20.691 -17.823 1.00 0.00 N ATOM 608 CA LYS A 69 -9.257 -20.270 -17.022 1.00 0.00 C ATOM 609 C LYS A 69 -9.135 -18.809 -16.620 1.00 0.00 C ATOM 610 O LYS A 69 -9.940 -18.310 -15.833 1.00 0.00 O ATOM 611 CB LYS A 69 -9.367 -21.128 -15.763 1.00 0.00 C ATOM 612 CG LYS A 69 -9.532 -22.589 -16.165 1.00 0.00 C ATOM 613 CD LYS A 69 -9.902 -23.431 -14.943 1.00 0.00 C ATOM 614 CE LYS A 69 -10.056 -24.890 -15.372 1.00 0.00 C ATOM 615 NZ LYS A 69 -9.060 -25.197 -16.437 1.00 0.00 N ATOM 0 H LYS A 69 -7.260 -20.856 -17.293 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.152 -20.395 -17.631 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.476 -21.006 -15.147 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.217 -20.806 -15.162 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.306 -22.680 -16.927 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.607 -22.960 -16.605 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.131 -23.343 -14.178 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.831 -23.068 -14.503 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.907 -25.550 -14.517 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.066 -25.068 -15.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.970 -26.228 -16.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.376 -24.784 -17.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.138 -24.794 -16.176 1.00 0.00 H new ATOM 629 N ILE A 70 -8.131 -18.122 -17.148 1.00 0.00 N ATOM 630 CA ILE A 70 -7.937 -16.720 -16.813 1.00 0.00 C ATOM 631 C ILE A 70 -8.301 -15.851 -18.000 1.00 0.00 C ATOM 632 O ILE A 70 -7.950 -16.158 -19.139 1.00 0.00 O ATOM 633 CB ILE A 70 -6.482 -16.473 -16.421 1.00 0.00 C ATOM 634 CG1 ILE A 70 -6.084 -17.463 -15.329 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.322 -15.045 -15.897 1.00 0.00 C ATOM 636 CD1 ILE A 70 -7.059 -17.352 -14.157 1.00 0.00 C ATOM 0 H ILE A 70 -7.448 -18.507 -17.801 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.581 -16.466 -15.971 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.842 -16.607 -17.293 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.090 -18.479 -15.725 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.068 -17.258 -14.991 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.282 -14.874 -15.619 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.611 -14.338 -16.674 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.959 -14.904 -15.024 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.774 -18.059 -13.378 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.031 -16.339 -13.755 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.068 -17.578 -14.501 1.00 0.00 H new ATOM 648 N CYS A 71 -9.030 -14.781 -17.732 1.00 0.00 N ATOM 649 CA CYS A 71 -9.460 -13.893 -18.797 1.00 0.00 C ATOM 650 C CYS A 71 -10.142 -14.719 -19.875 1.00 0.00 C ATOM 651 O CYS A 71 -9.594 -14.945 -20.954 1.00 0.00 O ATOM 652 CB CYS A 71 -8.265 -13.144 -19.379 1.00 0.00 C ATOM 653 SG CYS A 71 -7.555 -12.075 -18.104 1.00 0.00 S ATOM 0 H CYS A 71 -9.333 -14.509 -16.797 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.159 -13.157 -18.401 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.516 -13.851 -19.736 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.576 -12.549 -20.237 1.00 0.00 H new ATOM 658 N ASP A 72 -11.336 -15.188 -19.545 1.00 0.00 N ATOM 659 CA ASP A 72 -12.112 -16.025 -20.448 1.00 0.00 C ATOM 660 C ASP A 72 -12.113 -15.477 -21.868 1.00 0.00 C ATOM 661 O ASP A 72 -12.668 -14.412 -22.143 1.00 0.00 O ATOM 662 CB ASP A 72 -13.548 -16.131 -19.948 1.00 0.00 C ATOM 663 CG ASP A 72 -14.280 -14.813 -20.178 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.645 -13.777 -20.060 1.00 0.00 O ATOM 665 OD2 ASP A 72 -15.464 -14.859 -20.465 1.00 0.00 O ATOM 0 H ASP A 72 -11.791 -15.001 -18.652 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.646 -17.010 -20.466 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.064 -16.938 -20.468 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.555 -16.380 -18.887 1.00 0.00 H new ATOM 670 N ALA A 73 -11.503 -16.236 -22.766 1.00 0.00 N ATOM 671 CA ALA A 73 -11.437 -15.861 -24.170 1.00 0.00 C ATOM 672 C ALA A 73 -11.878 -17.035 -25.032 1.00 0.00 C ATOM 673 O ALA A 73 -12.383 -18.035 -24.518 1.00 0.00 O ATOM 674 CB ALA A 73 -10.005 -15.470 -24.540 1.00 0.00 C ATOM 0 H ALA A 73 -11.044 -17.120 -22.545 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.097 -15.011 -24.342 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.965 -15.191 -25.593 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.689 -14.625 -23.928 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.340 -16.315 -24.363 1.00 0.00 H new ATOM 680 N ASP A 74 -11.666 -16.926 -26.338 1.00 0.00 N ATOM 681 CA ASP A 74 -12.029 -18.014 -27.233 1.00 0.00 C ATOM 682 C ASP A 74 -11.234 -19.260 -26.849 1.00 0.00 C ATOM 683 O ASP A 74 -10.060 -19.169 -26.495 1.00 0.00 O ATOM 684 CB ASP A 74 -11.754 -17.619 -28.688 1.00 0.00 C ATOM 685 CG ASP A 74 -10.525 -16.719 -28.772 1.00 0.00 C ATOM 686 OD1 ASP A 74 -9.954 -16.428 -27.735 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.178 -16.328 -29.875 1.00 0.00 O ATOM 0 H ASP A 74 -11.253 -16.112 -26.793 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.094 -18.227 -27.140 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.599 -18.514 -29.291 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.620 -17.102 -29.101 1.00 0.00 H new ATOM 692 N PRO A 75 -11.850 -20.410 -26.870 1.00 0.00 N ATOM 693 CA PRO A 75 -11.176 -21.679 -26.469 1.00 0.00 C ATOM 694 C PRO A 75 -9.926 -21.975 -27.291 1.00 0.00 C ATOM 695 O PRO A 75 -8.955 -22.525 -26.774 1.00 0.00 O ATOM 696 CB PRO A 75 -12.241 -22.759 -26.676 1.00 0.00 C ATOM 697 CG PRO A 75 -13.293 -22.141 -27.533 1.00 0.00 C ATOM 698 CD PRO A 75 -13.240 -20.637 -27.281 1.00 0.00 C ATOM 0 HA PRO A 75 -10.818 -21.626 -25.441 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.815 -23.640 -27.156 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.656 -23.085 -25.722 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.114 -22.363 -28.585 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.277 -22.540 -27.286 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.492 -20.070 -28.177 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.943 -20.335 -26.505 1.00 0.00 H new ATOM 706 N PHE A 76 -9.952 -21.606 -28.564 1.00 0.00 N ATOM 707 CA PHE A 76 -8.812 -21.847 -29.439 1.00 0.00 C ATOM 708 C PHE A 76 -7.600 -21.047 -28.978 1.00 0.00 C ATOM 709 O PHE A 76 -6.466 -21.516 -29.077 1.00 0.00 O ATOM 710 CB PHE A 76 -9.177 -21.491 -30.881 1.00 0.00 C ATOM 711 CG PHE A 76 -10.162 -22.518 -31.393 1.00 0.00 C ATOM 712 CD1 PHE A 76 -9.698 -23.753 -31.865 1.00 0.00 C ATOM 713 CD2 PHE A 76 -11.534 -22.242 -31.387 1.00 0.00 C ATOM 714 CE1 PHE A 76 -10.605 -24.711 -32.328 1.00 0.00 C ATOM 715 CE2 PHE A 76 -12.443 -23.201 -31.854 1.00 0.00 C ATOM 716 CZ PHE A 76 -11.978 -24.436 -32.324 1.00 0.00 C ATOM 0 H PHE A 76 -10.743 -21.142 -29.012 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.554 -22.905 -29.393 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.612 -20.493 -30.926 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.284 -21.478 -31.506 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.639 -23.965 -31.871 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.892 -21.290 -31.023 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.246 -25.664 -32.689 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.502 -22.988 -31.852 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.678 -25.176 -32.683 1.00 0.00 H new ATOM 726 N GLN A 77 -7.843 -19.848 -28.468 1.00 0.00 N ATOM 727 CA GLN A 77 -6.746 -19.017 -27.992 1.00 0.00 C ATOM 728 C GLN A 77 -6.417 -19.343 -26.537 1.00 0.00 C ATOM 729 O GLN A 77 -5.376 -18.939 -26.032 1.00 0.00 O ATOM 730 CB GLN A 77 -7.100 -17.535 -28.118 1.00 0.00 C ATOM 731 CG GLN A 77 -7.393 -17.209 -29.584 1.00 0.00 C ATOM 732 CD GLN A 77 -7.523 -15.703 -29.770 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.578 -14.925 -28.724 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -7.582 -15.220 -30.901 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.771 -19.435 -28.374 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.872 -19.227 -28.609 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.968 -17.303 -27.501 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.277 -16.920 -27.754 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.593 -17.594 -30.217 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.313 -17.703 -29.897 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.539 -15.829 -31.718 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.674 -14.211 -31.021 1.00 0.00 H new ATOM 743 N MET A 78 -7.302 -20.077 -25.868 1.00 0.00 N ATOM 744 CA MET A 78 -7.066 -20.439 -24.469 1.00 0.00 C ATOM 745 C MET A 78 -6.643 -21.900 -24.330 1.00 0.00 C ATOM 746 O MET A 78 -6.443 -22.383 -23.214 1.00 0.00 O ATOM 747 CB MET A 78 -8.323 -20.198 -23.625 1.00 0.00 C ATOM 748 CG MET A 78 -8.743 -18.732 -23.726 1.00 0.00 C ATOM 749 SD MET A 78 -9.237 -18.127 -22.090 1.00 0.00 S ATOM 750 CE MET A 78 -10.610 -19.272 -21.805 1.00 0.00 C ATOM 0 H MET A 78 -8.175 -20.429 -26.261 1.00 0.00 H new ATOM 0 HA MET A 78 -6.257 -19.804 -24.108 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.132 -20.842 -23.970 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.129 -20.459 -22.585 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.919 -18.133 -24.113 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.570 -18.628 -24.428 1.00 0.00 H new ATOM 0 HE1 MET A 78 -11.026 -19.101 -20.812 1.00 0.00 H new ATOM 0 HE2 MET A 78 -11.383 -19.107 -22.556 1.00 0.00 H new ATOM 0 HE3 MET A 78 -10.249 -20.298 -21.875 1.00 0.00 H new ATOM 760 N GLU A 79 -6.532 -22.614 -25.449 1.00 0.00 N ATOM 761 CA GLU A 79 -6.159 -24.028 -25.390 1.00 0.00 C ATOM 762 C GLU A 79 -4.726 -24.235 -24.909 1.00 0.00 C ATOM 763 O GLU A 79 -4.475 -25.131 -24.104 1.00 0.00 O ATOM 764 CB GLU A 79 -6.326 -24.687 -26.763 1.00 0.00 C ATOM 765 CG GLU A 79 -7.808 -24.941 -27.047 1.00 0.00 C ATOM 766 CD GLU A 79 -8.009 -26.365 -27.552 1.00 0.00 C ATOM 767 OE1 GLU A 79 -7.152 -26.840 -28.278 1.00 0.00 O ATOM 768 OE2 GLU A 79 -9.017 -26.958 -27.204 1.00 0.00 O ATOM 0 H GLU A 79 -6.691 -22.248 -26.388 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.829 -24.494 -24.667 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.904 -24.046 -27.537 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.775 -25.627 -26.793 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.392 -24.783 -26.140 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.171 -24.229 -27.789 1.00 0.00 H new ATOM 775 N ASN A 80 -3.775 -23.446 -25.404 1.00 0.00 N ATOM 776 CA ASN A 80 -2.383 -23.623 -24.995 1.00 0.00 C ATOM 777 C ASN A 80 -2.109 -22.985 -23.638 1.00 0.00 C ATOM 778 O ASN A 80 -2.161 -21.766 -23.491 1.00 0.00 O ATOM 779 CB ASN A 80 -1.455 -22.993 -26.039 1.00 0.00 C ATOM 780 CG ASN A 80 -0.020 -23.465 -25.820 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.268 -24.657 -25.939 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.905 -22.596 -25.510 1.00 0.00 N ATOM 0 H ASN A 80 -3.936 -22.694 -26.074 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.195 -24.694 -24.915 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.786 -23.264 -27.042 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.503 -21.906 -25.970 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.867 -22.904 -25.366 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.666 -21.609 -25.412 1.00 0.00 H new ATOM 789 N VAL A 81 -1.800 -23.822 -22.653 1.00 0.00 N ATOM 790 CA VAL A 81 -1.497 -23.329 -21.315 1.00 0.00 C ATOM 791 C VAL A 81 0.006 -23.395 -21.064 1.00 0.00 C ATOM 792 O VAL A 81 0.447 -23.652 -19.943 1.00 0.00 O ATOM 793 CB VAL A 81 -2.236 -24.149 -20.251 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.745 -24.042 -20.476 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.820 -25.619 -20.347 1.00 0.00 C ATOM 0 H VAL A 81 -1.753 -24.836 -22.754 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.831 -22.294 -21.248 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.982 -23.761 -19.265 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.268 -24.626 -19.719 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.050 -22.998 -20.405 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.993 -24.426 -21.465 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.348 -26.197 -19.589 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.070 -26.004 -21.336 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.745 -25.704 -20.185 1.00 0.00 H new ATOM 805 N GLN A 82 0.789 -23.157 -22.116 1.00 0.00 N ATOM 806 CA GLN A 82 2.244 -23.191 -21.998 1.00 0.00 C ATOM 807 C GLN A 82 2.891 -22.085 -22.829 1.00 0.00 C ATOM 808 O GLN A 82 3.320 -22.312 -23.962 1.00 0.00 O ATOM 809 CB GLN A 82 2.765 -24.554 -22.450 1.00 0.00 C ATOM 810 CG GLN A 82 2.326 -25.615 -21.443 1.00 0.00 C ATOM 811 CD GLN A 82 3.029 -25.392 -20.108 1.00 0.00 C ATOM 812 OE1 GLN A 82 4.241 -25.584 -20.006 1.00 0.00 O ATOM 813 NE2 GLN A 82 2.342 -24.984 -19.077 1.00 0.00 N ATOM 0 H GLN A 82 0.443 -22.941 -23.051 1.00 0.00 H new ATOM 0 HA GLN A 82 2.507 -23.027 -20.953 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.380 -24.794 -23.441 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.852 -24.535 -22.526 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.246 -25.572 -21.306 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.560 -26.609 -21.825 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.338 -24.825 -19.163 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.809 -24.823 -18.184 1.00 0.00 H new ATOM 822 N CYS A 83 2.972 -20.895 -22.243 1.00 0.00 N ATOM 823 CA CYS A 83 3.583 -19.745 -22.901 1.00 0.00 C ATOM 824 C CYS A 83 4.253 -18.876 -21.841 1.00 0.00 C ATOM 825 O CYS A 83 3.588 -18.389 -20.927 1.00 0.00 O ATOM 826 CB CYS A 83 2.510 -18.941 -23.643 1.00 0.00 C ATOM 827 SG CYS A 83 3.125 -17.277 -24.008 1.00 0.00 S ATOM 0 H CYS A 83 2.619 -20.701 -21.306 1.00 0.00 H new ATOM 0 HA CYS A 83 4.326 -20.080 -23.624 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.239 -19.449 -24.569 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.606 -18.879 -23.037 1.00 0.00 H new ATOM 832 N TYR A 84 5.568 -18.692 -21.943 1.00 0.00 N ATOM 833 CA TYR A 84 6.281 -17.890 -20.953 1.00 0.00 C ATOM 834 C TYR A 84 7.216 -16.876 -21.614 1.00 0.00 C ATOM 835 O TYR A 84 7.715 -17.101 -22.716 1.00 0.00 O ATOM 836 CB TYR A 84 7.111 -18.798 -20.039 1.00 0.00 C ATOM 837 CG TYR A 84 6.214 -19.734 -19.260 1.00 0.00 C ATOM 838 CD1 TYR A 84 5.801 -20.951 -19.820 1.00 0.00 C ATOM 839 CD2 TYR A 84 5.813 -19.391 -17.965 1.00 0.00 C ATOM 840 CE1 TYR A 84 4.984 -21.821 -19.083 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.001 -20.261 -17.228 1.00 0.00 C ATOM 842 CZ TYR A 84 4.586 -21.475 -17.787 1.00 0.00 C ATOM 843 OH TYR A 84 3.788 -22.333 -17.059 1.00 0.00 O ATOM 0 H TYR A 84 6.151 -19.079 -22.685 1.00 0.00 H new ATOM 0 HA TYR A 84 5.532 -17.350 -20.374 1.00 0.00 H new ATOM 0 HB2 TYR A 84 7.817 -19.375 -20.636 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.698 -18.191 -19.350 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.112 -21.219 -20.819 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.130 -18.453 -17.533 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.662 -22.757 -19.515 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.695 -19.995 -16.227 1.00 0.00 H new ATOM 0 HH TYR A 84 3.604 -21.942 -16.179 1.00 0.00 H new ATOM 853 N LEU A 85 7.463 -15.769 -20.911 1.00 0.00 N ATOM 854 CA LEU A 85 8.361 -14.725 -21.407 1.00 0.00 C ATOM 855 C LEU A 85 9.177 -14.150 -20.255 1.00 0.00 C ATOM 856 O LEU A 85 8.781 -13.166 -19.633 1.00 0.00 O ATOM 857 CB LEU A 85 7.571 -13.597 -22.067 1.00 0.00 C ATOM 858 CG LEU A 85 8.547 -12.564 -22.640 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.377 -13.208 -23.753 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.765 -11.379 -23.215 1.00 0.00 C ATOM 0 H LEU A 85 7.054 -15.573 -19.997 1.00 0.00 H new ATOM 0 HA LEU A 85 9.025 -15.174 -22.146 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.939 -13.996 -22.860 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.910 -13.126 -21.339 1.00 0.00 H new ATOM 0 HG LEU A 85 9.206 -12.214 -21.846 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.071 -12.473 -24.161 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.937 -14.051 -23.348 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.715 -13.559 -24.544 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.462 -10.646 -23.622 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.104 -11.730 -24.007 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.172 -10.917 -22.426 1.00 0.00 H new ATOM 872 N PRO A 86 10.294 -14.751 -19.961 1.00 0.00 N ATOM 873 CA PRO A 86 11.186 -14.302 -18.852 1.00 0.00 C ATOM 874 C PRO A 86 11.432 -12.787 -18.864 1.00 0.00 C ATOM 875 O PRO A 86 11.310 -12.128 -17.831 1.00 0.00 O ATOM 876 CB PRO A 86 12.482 -15.077 -19.107 1.00 0.00 C ATOM 877 CG PRO A 86 12.061 -16.313 -19.830 1.00 0.00 C ATOM 878 CD PRO A 86 10.831 -15.933 -20.654 1.00 0.00 C ATOM 0 HA PRO A 86 10.749 -14.494 -17.872 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.181 -14.491 -19.703 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.986 -15.320 -18.172 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.862 -16.678 -20.473 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.826 -17.113 -19.128 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.096 -15.705 -21.686 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.103 -16.744 -20.684 1.00 0.00 H new ATOM 886 N ASP A 87 11.817 -12.246 -20.021 1.00 0.00 N ATOM 887 CA ASP A 87 12.123 -10.815 -20.146 1.00 0.00 C ATOM 888 C ASP A 87 10.972 -9.923 -19.680 1.00 0.00 C ATOM 889 O ASP A 87 11.194 -8.783 -19.273 1.00 0.00 O ATOM 890 CB ASP A 87 12.433 -10.487 -21.609 1.00 0.00 C ATOM 891 CG ASP A 87 13.677 -11.238 -22.069 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.532 -11.497 -21.239 1.00 0.00 O ATOM 893 OD2 ASP A 87 13.755 -11.545 -23.248 1.00 0.00 O ATOM 0 H ASP A 87 11.925 -12.775 -20.886 1.00 0.00 H new ATOM 0 HA ASP A 87 12.982 -10.615 -19.506 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.584 -10.757 -22.237 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.585 -9.414 -21.724 1.00 0.00 H new ATOM 898 N ALA A 88 9.746 -10.421 -19.759 1.00 0.00 N ATOM 899 CA ALA A 88 8.596 -9.621 -19.351 1.00 0.00 C ATOM 900 C ALA A 88 8.791 -9.066 -17.939 1.00 0.00 C ATOM 901 O ALA A 88 8.342 -7.957 -17.632 1.00 0.00 O ATOM 902 CB ALA A 88 7.326 -10.472 -19.391 1.00 0.00 C ATOM 0 H ALA A 88 9.522 -11.358 -20.095 1.00 0.00 H new ATOM 0 HA ALA A 88 8.500 -8.786 -20.045 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.473 -9.867 -19.085 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.166 -10.839 -20.405 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.433 -11.318 -18.712 1.00 0.00 H new ATOM 908 N PHE A 89 9.470 -9.834 -17.090 1.00 0.00 N ATOM 909 CA PHE A 89 9.730 -9.411 -15.716 1.00 0.00 C ATOM 910 C PHE A 89 10.630 -8.176 -15.655 1.00 0.00 C ATOM 911 O PHE A 89 10.380 -7.260 -14.874 1.00 0.00 O ATOM 912 CB PHE A 89 10.402 -10.545 -14.939 1.00 0.00 C ATOM 913 CG PHE A 89 11.100 -9.958 -13.738 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.393 -9.715 -12.554 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.455 -9.629 -13.824 1.00 0.00 C ATOM 916 CE1 PHE A 89 11.049 -9.147 -11.455 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.109 -9.060 -12.729 1.00 0.00 C ATOM 918 CZ PHE A 89 12.407 -8.818 -11.544 1.00 0.00 C ATOM 0 H PHE A 89 9.849 -10.750 -17.328 1.00 0.00 H new ATOM 0 HA PHE A 89 8.768 -9.158 -15.271 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.660 -11.279 -14.624 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.117 -11.067 -15.575 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.344 -9.965 -12.489 1.00 0.00 H new ATOM 0 HD2 PHE A 89 12.998 -9.815 -14.739 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.508 -8.963 -10.539 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.157 -8.807 -12.797 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.912 -8.377 -10.697 1.00 0.00 H new ATOM 928 N LYS A 90 11.684 -8.167 -16.461 1.00 0.00 N ATOM 929 CA LYS A 90 12.618 -7.046 -16.448 1.00 0.00 C ATOM 930 C LYS A 90 11.913 -5.767 -16.884 1.00 0.00 C ATOM 931 O LYS A 90 12.163 -4.691 -16.341 1.00 0.00 O ATOM 932 CB LYS A 90 13.813 -7.320 -17.369 1.00 0.00 C ATOM 933 CG LYS A 90 13.545 -6.751 -18.763 1.00 0.00 C ATOM 934 CD LYS A 90 14.650 -7.206 -19.720 1.00 0.00 C ATOM 935 CE LYS A 90 15.609 -6.042 -19.995 1.00 0.00 C ATOM 936 NZ LYS A 90 14.891 -4.961 -20.733 1.00 0.00 N ATOM 0 H LYS A 90 11.912 -8.909 -17.122 1.00 0.00 H new ATOM 0 HA LYS A 90 12.986 -6.923 -15.429 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.714 -6.871 -16.952 1.00 0.00 H new ATOM 0 HB3 LYS A 90 13.993 -8.393 -17.434 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.574 -7.089 -19.125 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.509 -5.662 -18.723 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.196 -8.045 -19.288 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.213 -7.558 -20.654 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.004 -5.654 -19.056 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.461 -6.390 -20.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.523 -4.552 -21.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.049 -5.358 -21.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.600 -4.219 -20.065 1.00 0.00 H new ATOM 950 N ILE A 91 11.030 -5.891 -17.868 1.00 0.00 N ATOM 951 CA ILE A 91 10.292 -4.739 -18.373 1.00 0.00 C ATOM 952 C ILE A 91 9.452 -4.080 -17.281 1.00 0.00 C ATOM 953 O ILE A 91 9.522 -2.866 -17.078 1.00 0.00 O ATOM 954 CB ILE A 91 9.381 -5.177 -19.522 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.238 -5.638 -20.702 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.502 -4.005 -19.956 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.356 -6.349 -21.731 1.00 0.00 C ATOM 0 H ILE A 91 10.808 -6.773 -18.330 1.00 0.00 H new ATOM 0 HA ILE A 91 11.018 -4.007 -18.726 1.00 0.00 H new ATOM 0 HB ILE A 91 8.747 -5.999 -19.189 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.732 -4.782 -21.162 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.022 -6.310 -20.354 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.854 -4.319 -20.774 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.891 -3.677 -19.115 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.133 -3.181 -20.289 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.969 -6.677 -22.571 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.882 -7.215 -21.268 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.588 -5.663 -22.088 1.00 0.00 H new ATOM 969 N MET A 92 8.644 -4.875 -16.587 1.00 0.00 N ATOM 970 CA MET A 92 7.794 -4.323 -15.542 1.00 0.00 C ATOM 971 C MET A 92 8.618 -3.841 -14.363 1.00 0.00 C ATOM 972 O MET A 92 8.261 -2.866 -13.702 1.00 0.00 O ATOM 973 CB MET A 92 6.776 -5.363 -15.076 1.00 0.00 C ATOM 974 CG MET A 92 5.733 -5.581 -16.172 1.00 0.00 C ATOM 975 SD MET A 92 4.074 -5.497 -15.452 1.00 0.00 S ATOM 976 CE MET A 92 4.009 -3.698 -15.261 1.00 0.00 C ATOM 0 H MET A 92 8.561 -5.882 -16.725 1.00 0.00 H new ATOM 0 HA MET A 92 7.263 -3.468 -15.962 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.279 -6.302 -14.846 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.291 -5.028 -14.159 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.843 -4.824 -16.949 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.886 -6.550 -16.647 1.00 0.00 H new ATOM 0 HE1 MET A 92 3.838 -3.449 -14.214 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.953 -3.263 -15.588 1.00 0.00 H new ATOM 0 HE3 MET A 92 3.196 -3.297 -15.866 1.00 0.00 H new ATOM 986 N SER A 93 9.722 -4.521 -14.102 1.00 0.00 N ATOM 987 CA SER A 93 10.582 -4.144 -12.999 1.00 0.00 C ATOM 988 C SER A 93 11.094 -2.721 -13.181 1.00 0.00 C ATOM 989 O SER A 93 11.057 -1.919 -12.254 1.00 0.00 O ATOM 990 CB SER A 93 11.757 -5.110 -12.927 1.00 0.00 C ATOM 991 OG SER A 93 11.264 -6.437 -12.813 1.00 0.00 O ATOM 0 H SER A 93 10.040 -5.330 -14.635 1.00 0.00 H new ATOM 0 HA SER A 93 10.010 -4.188 -12.072 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.377 -5.015 -13.819 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.389 -4.869 -12.072 1.00 0.00 H new ATOM 0 HG SER A 93 11.256 -6.860 -13.697 1.00 0.00 H new ATOM 997 N GLN A 94 11.542 -2.406 -14.389 1.00 0.00 N ATOM 998 CA GLN A 94 12.036 -1.064 -14.683 1.00 0.00 C ATOM 999 C GLN A 94 10.919 -0.034 -14.565 1.00 0.00 C ATOM 1000 O GLN A 94 11.135 1.099 -14.132 1.00 0.00 O ATOM 1001 CB GLN A 94 12.594 -1.016 -16.104 1.00 0.00 C ATOM 1002 CG GLN A 94 13.866 -1.857 -16.192 1.00 0.00 C ATOM 1003 CD GLN A 94 14.414 -1.813 -17.614 1.00 0.00 C ATOM 1004 OE1 GLN A 94 14.108 -2.766 -18.452 1.00 0.00 O flip ATOM 1005 NE2 GLN A 94 15.132 -0.880 -17.975 1.00 0.00 N flip ATOM 0 H GLN A 94 11.574 -3.054 -15.176 1.00 0.00 H new ATOM 0 HA GLN A 94 12.818 -0.829 -13.961 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.851 -1.390 -16.809 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.809 0.015 -16.385 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.612 -1.480 -15.493 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.653 -2.887 -15.906 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.370 -0.136 -17.319 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.489 -0.851 -18.930 1.00 0.00 H new ATOM 1014 N ARG A 95 9.734 -0.436 -14.998 1.00 0.00 N ATOM 1015 CA ARG A 95 8.575 0.450 -14.995 1.00 0.00 C ATOM 1016 C ARG A 95 7.956 0.661 -13.608 1.00 0.00 C ATOM 1017 O ARG A 95 7.405 1.730 -13.342 1.00 0.00 O ATOM 1018 CB ARG A 95 7.521 -0.105 -15.950 1.00 0.00 C ATOM 1019 CG ARG A 95 8.075 -0.068 -17.376 1.00 0.00 C ATOM 1020 CD ARG A 95 6.998 -0.512 -18.364 1.00 0.00 C ATOM 1021 NE ARG A 95 5.894 0.440 -18.347 1.00 0.00 N ATOM 1022 CZ ARG A 95 5.458 1.027 -19.457 1.00 0.00 C ATOM 1023 NH1 ARG A 95 5.987 0.733 -20.617 1.00 0.00 N ATOM 1024 NH2 ARG A 95 4.493 1.901 -19.383 1.00 0.00 N ATOM 0 H ARG A 95 9.547 -1.372 -15.357 1.00 0.00 H new ATOM 0 HA ARG A 95 8.927 1.429 -15.320 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.262 -1.127 -15.673 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.606 0.484 -15.886 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.410 0.940 -17.619 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.944 -0.721 -17.455 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.417 -0.580 -19.368 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.638 -1.507 -18.101 1.00 0.00 H new ATOM 0 HE ARG A 95 5.444 0.662 -17.459 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.741 0.048 -20.675 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.646 1.189 -21.463 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.080 2.129 -18.479 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.152 2.357 -20.229 1.00 0.00 H new ATOM 1038 N CYS A 96 7.996 -0.352 -12.741 1.00 0.00 N ATOM 1039 CA CYS A 96 7.372 -0.214 -11.420 1.00 0.00 C ATOM 1040 C CYS A 96 8.367 -0.230 -10.250 1.00 0.00 C ATOM 1041 O CYS A 96 7.995 0.113 -9.129 1.00 0.00 O ATOM 1042 CB CYS A 96 6.341 -1.326 -11.224 1.00 0.00 C ATOM 1043 SG CYS A 96 5.375 -1.521 -12.743 1.00 0.00 S ATOM 0 H CYS A 96 8.440 -1.253 -12.919 1.00 0.00 H new ATOM 0 HA CYS A 96 6.901 0.769 -11.408 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.841 -2.262 -10.975 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.683 -1.084 -10.389 1.00 0.00 H new ATOM 1048 N ASN A 97 9.612 -0.640 -10.479 1.00 0.00 N ATOM 1049 CA ASN A 97 10.576 -0.687 -9.381 1.00 0.00 C ATOM 1050 C ASN A 97 10.787 0.690 -8.758 1.00 0.00 C ATOM 1051 O ASN A 97 11.019 1.673 -9.459 1.00 0.00 O ATOM 1052 CB ASN A 97 11.924 -1.235 -9.858 1.00 0.00 C ATOM 1053 CG ASN A 97 11.841 -2.750 -10.011 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.781 -3.337 -9.799 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.905 -3.422 -10.352 1.00 0.00 N ATOM 0 H ASN A 97 9.971 -0.937 -11.387 1.00 0.00 H new ATOM 0 HA ASN A 97 10.161 -1.353 -8.625 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.196 -0.779 -10.810 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.706 -0.975 -9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.860 -4.437 -10.444 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.783 -2.933 -10.527 1.00 0.00 H new ATOM 1062 N ASN A 98 10.722 0.737 -7.426 1.00 0.00 N ATOM 1063 CA ASN A 98 10.927 1.975 -6.676 1.00 0.00 C ATOM 1064 C ASN A 98 9.830 3.005 -6.920 1.00 0.00 C ATOM 1065 O ASN A 98 9.967 4.163 -6.528 1.00 0.00 O ATOM 1066 CB ASN A 98 12.295 2.571 -6.999 1.00 0.00 C ATOM 1067 CG ASN A 98 13.375 1.705 -6.366 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.078 0.672 -5.764 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.626 2.130 -6.486 1.00 0.00 N ATOM 0 H ASN A 98 10.527 -0.076 -6.842 1.00 0.00 H new ATOM 0 HA ASN A 98 10.884 1.713 -5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.438 2.622 -8.078 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.360 3.591 -6.620 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.388 1.595 -6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.825 2.992 -6.994 1.00 0.00 H new ATOM 1075 N ARG A 99 8.732 2.585 -7.527 1.00 0.00 N ATOM 1076 CA ARG A 99 7.621 3.497 -7.764 1.00 0.00 C ATOM 1077 C ARG A 99 6.440 3.097 -6.892 1.00 0.00 C ATOM 1078 O ARG A 99 6.204 1.914 -6.655 1.00 0.00 O ATOM 1079 CB ARG A 99 7.223 3.482 -9.239 1.00 0.00 C ATOM 1080 CG ARG A 99 8.197 4.365 -10.019 1.00 0.00 C ATOM 1081 CD ARG A 99 8.157 3.994 -11.499 1.00 0.00 C ATOM 1082 NE ARG A 99 8.654 2.633 -11.687 1.00 0.00 N ATOM 1083 CZ ARG A 99 9.949 2.349 -11.576 1.00 0.00 C ATOM 1084 NH1 ARG A 99 10.802 3.286 -11.260 1.00 0.00 N ATOM 1085 NH2 ARG A 99 10.369 1.128 -11.773 1.00 0.00 N ATOM 0 H ARG A 99 8.585 1.633 -7.861 1.00 0.00 H new ATOM 0 HA ARG A 99 7.930 4.510 -7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.244 2.463 -9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.203 3.847 -9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.934 5.415 -9.890 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.208 4.240 -9.630 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.137 4.072 -11.874 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.763 4.694 -12.074 1.00 0.00 H new ATOM 0 HE ARG A 99 7.995 1.886 -11.908 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.476 4.239 -11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.794 3.065 -11.176 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.704 0.392 -12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.362 0.910 -11.688 1.00 0.00 H new ATOM 1099 N THR A 100 5.703 4.089 -6.414 1.00 0.00 N ATOM 1100 CA THR A 100 4.554 3.818 -5.567 1.00 0.00 C ATOM 1101 C THR A 100 3.440 3.207 -6.408 1.00 0.00 C ATOM 1102 O THR A 100 2.647 2.397 -5.926 1.00 0.00 O ATOM 1103 CB THR A 100 4.083 5.111 -4.897 1.00 0.00 C ATOM 1104 OG1 THR A 100 5.200 5.768 -4.312 1.00 0.00 O ATOM 1105 CG2 THR A 100 3.058 4.784 -3.809 1.00 0.00 C ATOM 0 H THR A 100 5.878 5.077 -6.596 1.00 0.00 H new ATOM 0 HA THR A 100 4.832 3.111 -4.785 1.00 0.00 H new ATOM 0 HB THR A 100 3.622 5.760 -5.642 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.904 6.598 -3.883 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.725 5.707 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.203 4.276 -4.255 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.515 4.136 -3.061 1.00 0.00 H new ATOM 1113 N GLN A 101 3.409 3.596 -7.679 1.00 0.00 N ATOM 1114 CA GLN A 101 2.414 3.079 -8.608 1.00 0.00 C ATOM 1115 C GLN A 101 2.964 3.076 -10.029 1.00 0.00 C ATOM 1116 O GLN A 101 3.853 3.861 -10.365 1.00 0.00 O ATOM 1117 CB GLN A 101 1.128 3.911 -8.542 1.00 0.00 C ATOM 1118 CG GLN A 101 1.389 5.343 -9.014 1.00 0.00 C ATOM 1119 CD GLN A 101 0.237 5.811 -9.899 1.00 0.00 C ATOM 1120 OE1 GLN A 101 -0.371 6.849 -9.636 1.00 0.00 O ATOM 1121 NE2 GLN A 101 -0.103 5.098 -10.939 1.00 0.00 N ATOM 0 H GLN A 101 4.061 4.266 -8.087 1.00 0.00 H new ATOM 0 HA GLN A 101 2.179 2.054 -8.320 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.359 3.452 -9.163 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.748 3.922 -7.521 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.493 6.006 -8.155 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.327 5.389 -9.567 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.402 4.238 -11.155 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.873 5.401 -11.535 1.00 0.00 H new ATOM 1130 N CYS A 102 2.432 2.187 -10.859 1.00 0.00 N ATOM 1131 CA CYS A 102 2.876 2.086 -12.246 1.00 0.00 C ATOM 1132 C CYS A 102 1.773 1.499 -13.125 1.00 0.00 C ATOM 1133 O CYS A 102 1.101 0.541 -12.739 1.00 0.00 O ATOM 1134 CB CYS A 102 4.128 1.208 -12.329 1.00 0.00 C ATOM 1135 SG CYS A 102 3.648 -0.537 -12.374 1.00 0.00 S ATOM 0 H CYS A 102 1.697 1.529 -10.599 1.00 0.00 H new ATOM 0 HA CYS A 102 3.111 3.087 -12.607 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.702 1.460 -13.220 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.773 1.396 -11.471 1.00 0.00 H new ATOM 1140 N VAL A 103 1.594 2.084 -14.307 1.00 0.00 N ATOM 1141 CA VAL A 103 0.574 1.621 -15.246 1.00 0.00 C ATOM 1142 C VAL A 103 1.225 1.205 -16.565 1.00 0.00 C ATOM 1143 O VAL A 103 2.009 1.959 -17.141 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.433 2.747 -15.497 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.527 2.261 -16.448 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -1.068 3.167 -14.168 1.00 0.00 C ATOM 0 H VAL A 103 2.141 2.879 -14.638 1.00 0.00 H new ATOM 0 HA VAL A 103 0.059 0.759 -14.821 1.00 0.00 H new ATOM 0 HB VAL A 103 0.083 3.597 -15.944 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.241 3.066 -16.623 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.079 1.961 -17.395 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.043 1.409 -16.005 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.785 3.969 -14.345 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.580 2.313 -13.724 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.291 3.518 -13.489 1.00 0.00 H new ATOM 1156 N VAL A 104 0.908 -0.004 -17.033 1.00 0.00 N ATOM 1157 CA VAL A 104 1.492 -0.503 -18.278 1.00 0.00 C ATOM 1158 C VAL A 104 0.479 -1.281 -19.115 1.00 0.00 C ATOM 1159 O VAL A 104 -0.441 -1.903 -18.585 1.00 0.00 O ATOM 1160 CB VAL A 104 2.677 -1.421 -17.969 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.396 -1.796 -19.269 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.652 -0.698 -17.042 1.00 0.00 C ATOM 0 H VAL A 104 0.260 -0.646 -16.577 1.00 0.00 H new ATOM 0 HA VAL A 104 1.818 0.366 -18.849 1.00 0.00 H new ATOM 0 HB VAL A 104 2.313 -2.327 -17.484 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.239 -2.449 -19.043 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.703 -2.314 -19.932 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.759 -0.892 -19.758 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.496 -1.351 -16.821 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.012 0.209 -17.528 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.145 -0.435 -16.114 1.00 0.00 H new ATOM 1172 N VAL A 105 0.690 -1.265 -20.431 1.00 0.00 N ATOM 1173 CA VAL A 105 -0.169 -2.000 -21.348 1.00 0.00 C ATOM 1174 C VAL A 105 0.278 -3.457 -21.387 1.00 0.00 C ATOM 1175 O VAL A 105 1.402 -3.751 -21.789 1.00 0.00 O ATOM 1176 CB VAL A 105 -0.077 -1.399 -22.754 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -1.052 -2.119 -23.690 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.429 0.089 -22.704 1.00 0.00 C ATOM 0 H VAL A 105 1.447 -0.751 -20.881 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.202 -1.936 -21.005 1.00 0.00 H new ATOM 0 HB VAL A 105 0.940 -1.520 -23.126 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.983 -1.688 -24.689 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.799 -3.178 -23.734 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.069 -2.004 -23.315 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.362 0.513 -23.706 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.444 0.210 -22.326 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.268 0.606 -22.045 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.591 -4.363 -20.949 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.246 -5.781 -20.927 1.00 0.00 C ATOM 1190 C ALA A 106 -0.197 -6.361 -22.339 1.00 0.00 C ATOM 1191 O ALA A 106 -0.638 -7.485 -22.575 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.255 -6.557 -20.075 1.00 0.00 C ATOM 0 H ALA A 106 -1.528 -4.145 -20.609 1.00 0.00 H new ATOM 0 HA ALA A 106 0.746 -5.879 -20.486 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.987 -7.614 -20.066 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.243 -6.171 -19.056 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.253 -6.439 -20.496 1.00 0.00 H new ATOM 1198 N GLY A 107 0.342 -5.593 -23.277 1.00 0.00 N ATOM 1199 CA GLY A 107 0.441 -6.058 -24.654 1.00 0.00 C ATOM 1200 C GLY A 107 1.090 -5.009 -25.542 1.00 0.00 C ATOM 1201 O GLY A 107 2.226 -4.596 -25.305 1.00 0.00 O ATOM 0 H GLY A 107 0.713 -4.657 -23.113 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.023 -6.979 -24.689 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.553 -6.295 -25.033 1.00 0.00 H new ATOM 1205 N SER A 108 0.357 -4.580 -26.562 1.00 0.00 N ATOM 1206 CA SER A 108 0.863 -3.579 -27.491 1.00 0.00 C ATOM 1207 C SER A 108 2.379 -3.705 -27.651 1.00 0.00 C ATOM 1208 O SER A 108 2.964 -4.748 -27.354 1.00 0.00 O ATOM 1209 CB SER A 108 0.494 -2.179 -26.987 1.00 0.00 C ATOM 1210 OG SER A 108 1.617 -1.315 -27.092 1.00 0.00 O ATOM 0 H SER A 108 -0.587 -4.909 -26.766 1.00 0.00 H new ATOM 0 HA SER A 108 0.407 -3.742 -28.467 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.337 -1.781 -27.569 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.161 -2.232 -25.950 1.00 0.00 H new ATOM 0 HG SER A 108 1.374 -0.422 -26.770 1.00 0.00 H new ATOM 1216 N ASP A 109 3.004 -2.647 -28.151 1.00 0.00 N ATOM 1217 CA ASP A 109 4.444 -2.639 -28.376 1.00 0.00 C ATOM 1218 C ASP A 109 5.216 -2.646 -27.055 1.00 0.00 C ATOM 1219 O ASP A 109 6.445 -2.585 -27.048 1.00 0.00 O ATOM 1220 CB ASP A 109 4.829 -1.404 -29.193 1.00 0.00 C ATOM 1221 CG ASP A 109 4.089 -1.410 -30.528 1.00 0.00 C ATOM 1222 OD1 ASP A 109 4.023 -2.463 -31.142 1.00 0.00 O ATOM 1223 OD2 ASP A 109 3.592 -0.365 -30.910 1.00 0.00 O ATOM 0 H ASP A 109 2.534 -1.779 -28.410 1.00 0.00 H new ATOM 0 HA ASP A 109 4.707 -3.543 -28.925 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.585 -0.499 -28.637 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.905 -1.392 -29.364 1.00 0.00 H new ATOM 1228 N ALA A 110 4.491 -2.718 -25.943 1.00 0.00 N ATOM 1229 CA ALA A 110 5.130 -2.730 -24.630 1.00 0.00 C ATOM 1230 C ALA A 110 5.501 -4.154 -24.224 1.00 0.00 C ATOM 1231 O ALA A 110 6.254 -4.358 -23.270 1.00 0.00 O ATOM 1232 CB ALA A 110 4.192 -2.124 -23.583 1.00 0.00 C ATOM 0 H ALA A 110 3.472 -2.768 -25.923 1.00 0.00 H new ATOM 0 HA ALA A 110 6.041 -2.134 -24.687 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.678 -2.138 -22.608 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.957 -1.095 -23.857 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.272 -2.707 -23.538 1.00 0.00 H new ATOM 1238 N PHE A 111 4.988 -5.137 -24.959 1.00 0.00 N ATOM 1239 CA PHE A 111 5.301 -6.529 -24.656 1.00 0.00 C ATOM 1240 C PHE A 111 5.446 -7.349 -25.937 1.00 0.00 C ATOM 1241 O PHE A 111 4.550 -7.352 -26.781 1.00 0.00 O ATOM 1242 CB PHE A 111 4.207 -7.149 -23.795 1.00 0.00 C ATOM 1243 CG PHE A 111 4.404 -6.726 -22.365 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.309 -7.420 -21.558 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.685 -5.644 -21.845 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.496 -7.037 -20.227 1.00 0.00 C ATOM 1247 CE2 PHE A 111 3.871 -5.259 -20.512 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.776 -5.956 -19.704 1.00 0.00 C ATOM 0 H PHE A 111 4.365 -4.999 -25.755 1.00 0.00 H new ATOM 0 HA PHE A 111 6.246 -6.541 -24.113 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.226 -6.832 -24.149 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.238 -8.236 -23.873 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.864 -8.253 -21.963 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.988 -5.107 -22.471 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.195 -7.574 -19.603 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.317 -4.425 -20.108 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.919 -5.660 -18.675 1.00 0.00 H new ATOM 1258 N PRO A 112 6.543 -8.045 -26.093 1.00 0.00 N ATOM 1259 CA PRO A 112 6.786 -8.888 -27.293 1.00 0.00 C ATOM 1260 C PRO A 112 5.614 -9.819 -27.576 1.00 0.00 C ATOM 1261 O PRO A 112 4.460 -9.494 -27.294 1.00 0.00 O ATOM 1262 CB PRO A 112 8.036 -9.704 -26.953 1.00 0.00 C ATOM 1263 CG PRO A 112 8.670 -9.064 -25.761 1.00 0.00 C ATOM 1264 CD PRO A 112 7.663 -8.095 -25.145 1.00 0.00 C ATOM 0 HA PRO A 112 6.909 -8.277 -28.187 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.773 -10.740 -26.739 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.727 -9.718 -27.796 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.962 -9.821 -25.034 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.577 -8.535 -26.052 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.334 -8.440 -24.165 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.103 -7.108 -25.004 1.00 0.00 H new ATOM 1272 N ASP A 113 5.920 -10.979 -28.141 1.00 0.00 N ATOM 1273 CA ASP A 113 4.892 -11.954 -28.465 1.00 0.00 C ATOM 1274 C ASP A 113 5.431 -13.367 -28.250 1.00 0.00 C ATOM 1275 O ASP A 113 5.943 -13.992 -29.177 1.00 0.00 O ATOM 1276 CB ASP A 113 4.460 -11.784 -29.921 1.00 0.00 C ATOM 1277 CG ASP A 113 3.144 -12.513 -30.169 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.891 -13.491 -29.483 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.407 -12.083 -31.041 1.00 0.00 O ATOM 0 H ASP A 113 6.869 -11.266 -28.383 1.00 0.00 H new ATOM 0 HA ASP A 113 4.032 -11.796 -27.814 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.347 -10.725 -30.153 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.231 -12.175 -30.585 1.00 0.00 H new ATOM 1284 N PRO A 114 5.351 -13.863 -27.041 1.00 0.00 N ATOM 1285 CA PRO A 114 5.868 -15.219 -26.684 1.00 0.00 C ATOM 1286 C PRO A 114 4.944 -16.359 -27.107 1.00 0.00 C ATOM 1287 O PRO A 114 5.293 -17.529 -26.961 1.00 0.00 O ATOM 1288 CB PRO A 114 5.968 -15.153 -25.166 1.00 0.00 C ATOM 1289 CG PRO A 114 4.863 -14.236 -24.761 1.00 0.00 C ATOM 1290 CD PRO A 114 4.757 -13.189 -25.871 1.00 0.00 C ATOM 0 HA PRO A 114 6.807 -15.436 -27.194 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.851 -16.139 -24.717 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.938 -14.771 -24.848 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.926 -14.781 -24.647 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.077 -13.767 -23.801 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.721 -12.904 -26.056 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.298 -12.278 -25.616 1.00 0.00 H new ATOM 1298 N CYS A 115 3.774 -16.020 -27.631 1.00 0.00 N ATOM 1299 CA CYS A 115 2.835 -17.048 -28.067 1.00 0.00 C ATOM 1300 C CYS A 115 1.725 -16.466 -28.936 1.00 0.00 C ATOM 1301 O CYS A 115 0.548 -16.463 -28.564 1.00 0.00 O ATOM 1302 CB CYS A 115 2.238 -17.781 -26.860 1.00 0.00 C ATOM 1303 SG CYS A 115 1.931 -16.621 -25.505 1.00 0.00 S ATOM 0 H CYS A 115 3.455 -15.060 -27.764 1.00 0.00 H new ATOM 0 HA CYS A 115 3.391 -17.762 -28.674 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.307 -18.269 -27.147 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.920 -18.565 -26.529 1.00 0.00 H new ATOM 1308 N PRO A 116 2.081 -16.008 -30.102 1.00 0.00 N ATOM 1309 CA PRO A 116 1.097 -15.454 -31.062 1.00 0.00 C ATOM 1310 C PRO A 116 0.043 -16.503 -31.403 1.00 0.00 C ATOM 1311 O PRO A 116 0.360 -17.687 -31.520 1.00 0.00 O ATOM 1312 CB PRO A 116 1.914 -15.075 -32.303 1.00 0.00 C ATOM 1313 CG PRO A 116 3.356 -15.354 -32.003 1.00 0.00 C ATOM 1314 CD PRO A 116 3.456 -15.975 -30.611 1.00 0.00 C ATOM 0 HA PRO A 116 0.563 -14.595 -30.656 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.585 -15.651 -33.168 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.771 -14.023 -32.548 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.773 -16.030 -32.749 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.936 -14.432 -32.048 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.882 -16.977 -30.657 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.102 -15.383 -29.962 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.200 -16.077 -31.564 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.269 -17.012 -31.890 1.00 0.00 C ATOM 1324 C GLY A 117 -2.999 -17.460 -30.631 1.00 0.00 C ATOM 1325 O GLY A 117 -4.051 -18.096 -30.708 1.00 0.00 O ATOM 0 H GLY A 117 -1.493 -15.104 -31.476 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -2.973 -16.541 -32.576 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.855 -17.880 -32.404 1.00 0.00 H new ATOM 1329 N THR A 118 -2.442 -17.123 -29.473 1.00 0.00 N ATOM 1330 CA THR A 118 -3.054 -17.491 -28.206 1.00 0.00 C ATOM 1331 C THR A 118 -3.310 -16.225 -27.378 1.00 0.00 C ATOM 1332 O THR A 118 -2.540 -15.267 -27.458 1.00 0.00 O ATOM 1333 CB THR A 118 -2.123 -18.460 -27.463 1.00 0.00 C ATOM 1334 OG1 THR A 118 -1.887 -19.596 -28.286 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.765 -18.910 -26.154 1.00 0.00 C ATOM 0 H THR A 118 -1.572 -16.598 -29.388 1.00 0.00 H new ATOM 0 HA THR A 118 -4.009 -17.988 -28.375 1.00 0.00 H new ATOM 0 HB THR A 118 -1.183 -17.955 -27.240 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.292 -20.220 -27.820 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.095 -19.597 -25.637 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.952 -18.041 -25.523 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.708 -19.414 -26.366 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.382 -16.214 -26.581 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.688 -15.039 -25.757 1.00 0.00 C ATOM 1345 C TYR A 119 -3.831 -15.088 -24.504 1.00 0.00 C ATOM 1346 O TYR A 119 -3.883 -16.046 -23.741 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.170 -15.027 -25.377 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.588 -13.642 -24.937 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.608 -12.584 -25.855 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -6.976 -13.425 -23.610 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -7.019 -11.310 -25.444 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.382 -12.152 -23.199 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.404 -11.095 -24.115 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.812 -9.843 -23.711 1.00 0.00 O ATOM 0 H TYR A 119 -5.041 -16.987 -26.488 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.472 -14.131 -26.320 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.773 -15.343 -26.228 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.352 -15.741 -24.574 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.307 -12.751 -26.879 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.962 -14.241 -22.903 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -7.039 -10.494 -26.151 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.679 -11.985 -22.174 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.049 -9.228 -23.730 1.00 0.00 H new ATOM 1364 N LYS A 120 -2.990 -14.088 -24.337 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.068 -14.075 -23.218 1.00 0.00 C ATOM 1366 C LYS A 120 -2.605 -13.354 -21.983 1.00 0.00 C ATOM 1367 O LYS A 120 -3.794 -13.053 -21.842 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.769 -13.412 -23.672 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.318 -14.057 -24.983 1.00 0.00 C ATOM 1370 CD LYS A 120 0.971 -13.392 -25.470 1.00 0.00 C ATOM 1371 CE LYS A 120 1.207 -13.758 -26.940 1.00 0.00 C ATOM 1372 NZ LYS A 120 1.850 -12.615 -27.647 1.00 0.00 N ATOM 0 H LYS A 120 -2.925 -13.280 -24.956 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.910 -15.111 -22.917 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -0.920 -12.341 -23.811 1.00 0.00 H new ATOM 0 HB3 LYS A 120 0.001 -13.529 -22.909 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.155 -15.125 -24.837 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.098 -13.955 -25.737 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.899 -12.310 -25.360 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.815 -13.719 -24.862 1.00 0.00 H new ATOM 0 HE2 LYS A 120 1.841 -14.642 -27.007 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.260 -14.008 -27.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 1.157 -12.161 -28.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 2.191 -11.923 -26.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 2.652 -12.962 -28.211 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.654 -13.026 -21.138 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.920 -12.278 -19.926 1.00 0.00 C ATOM 1388 C TYR A 121 -0.633 -11.845 -19.268 1.00 0.00 C ATOM 1389 O TYR A 121 0.456 -12.246 -19.676 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.811 -13.067 -18.947 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.128 -14.308 -18.409 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -0.987 -14.214 -17.595 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.671 -15.562 -18.704 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.394 -15.378 -17.090 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.083 -16.722 -18.195 1.00 0.00 C ATOM 1396 CZ TYR A 121 -0.942 -16.631 -17.390 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.364 -17.776 -16.884 1.00 0.00 O ATOM 0 H TYR A 121 -0.672 -13.270 -21.270 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.473 -11.383 -20.210 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.091 -12.421 -18.115 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.733 -13.354 -19.452 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.568 -13.247 -17.359 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.549 -15.634 -19.328 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.487 -15.309 -16.469 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.508 -17.688 -18.422 1.00 0.00 H new ATOM 0 HH TYR A 121 0.447 -17.541 -16.386 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.767 -11.035 -18.238 1.00 0.00 N ATOM 1408 CA LEU A 122 0.389 -10.564 -17.515 1.00 0.00 C ATOM 1409 C LEU A 122 0.148 -10.718 -16.026 1.00 0.00 C ATOM 1410 O LEU A 122 -0.824 -10.197 -15.488 1.00 0.00 O ATOM 1411 CB LEU A 122 0.661 -9.100 -17.860 1.00 0.00 C ATOM 1412 CG LEU A 122 1.948 -8.641 -17.174 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.111 -9.519 -17.631 1.00 0.00 C ATOM 1414 CD2 LEU A 122 2.237 -7.189 -17.559 1.00 0.00 C ATOM 0 H LEU A 122 -1.661 -10.692 -17.887 1.00 0.00 H new ATOM 0 HA LEU A 122 1.260 -11.154 -17.799 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.750 -8.981 -18.940 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.175 -8.479 -17.539 1.00 0.00 H new ATOM 0 HG LEU A 122 1.830 -8.721 -16.093 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.028 -9.191 -17.142 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.909 -10.557 -17.366 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.227 -9.436 -18.712 1.00 0.00 H new ATOM 0 HD21 LEU A 122 3.154 -6.859 -17.071 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.354 -7.116 -18.640 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.409 -6.556 -17.240 1.00 0.00 H new ATOM 1426 N GLU A 123 1.047 -11.433 -15.374 1.00 0.00 N ATOM 1427 CA GLU A 123 0.942 -11.658 -13.945 1.00 0.00 C ATOM 1428 C GLU A 123 2.190 -11.116 -13.270 1.00 0.00 C ATOM 1429 O GLU A 123 3.306 -11.453 -13.663 1.00 0.00 O ATOM 1430 CB GLU A 123 0.799 -13.158 -13.677 1.00 0.00 C ATOM 1431 CG GLU A 123 0.567 -13.407 -12.186 1.00 0.00 C ATOM 1432 CD GLU A 123 0.582 -14.905 -11.904 1.00 0.00 C ATOM 1433 OE1 GLU A 123 0.917 -15.655 -12.807 1.00 0.00 O ATOM 1434 OE2 GLU A 123 0.255 -15.282 -10.791 1.00 0.00 O ATOM 0 H GLU A 123 1.859 -11.868 -15.813 1.00 0.00 H new ATOM 0 HA GLU A 123 0.067 -11.146 -13.545 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.033 -13.561 -14.254 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.697 -13.681 -14.005 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.340 -12.910 -11.600 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.388 -12.980 -11.881 1.00 0.00 H new ATOM 1441 N VAL A 124 2.005 -10.254 -12.279 1.00 0.00 N ATOM 1442 CA VAL A 124 3.150 -9.659 -11.605 1.00 0.00 C ATOM 1443 C VAL A 124 3.081 -9.827 -10.096 1.00 0.00 C ATOM 1444 O VAL A 124 2.139 -9.371 -9.448 1.00 0.00 O ATOM 1445 CB VAL A 124 3.207 -8.164 -11.928 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.412 -7.527 -11.232 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.333 -7.972 -13.441 1.00 0.00 C ATOM 0 H VAL A 124 1.094 -9.956 -11.930 1.00 0.00 H new ATOM 0 HA VAL A 124 4.042 -10.173 -11.963 1.00 0.00 H new ATOM 0 HB VAL A 124 2.293 -7.687 -11.574 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.447 -6.463 -11.466 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.321 -7.659 -10.154 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.328 -8.005 -11.580 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.374 -6.907 -13.671 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.244 -8.454 -13.794 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.471 -8.418 -13.937 1.00 0.00 H new ATOM 1457 N GLN A 125 4.102 -10.466 -9.542 1.00 0.00 N ATOM 1458 CA GLN A 125 4.176 -10.670 -8.107 1.00 0.00 C ATOM 1459 C GLN A 125 5.193 -9.696 -7.534 1.00 0.00 C ATOM 1460 O GLN A 125 6.336 -9.644 -7.992 1.00 0.00 O ATOM 1461 CB GLN A 125 4.608 -12.104 -7.801 1.00 0.00 C ATOM 1462 CG GLN A 125 3.530 -13.075 -8.283 1.00 0.00 C ATOM 1463 CD GLN A 125 4.059 -13.899 -9.450 1.00 0.00 C ATOM 1464 OE1 GLN A 125 5.232 -14.274 -9.469 1.00 0.00 O ATOM 1465 NE2 GLN A 125 3.255 -14.203 -10.429 1.00 0.00 N ATOM 0 H GLN A 125 4.888 -10.851 -10.066 1.00 0.00 H new ATOM 0 HA GLN A 125 3.197 -10.499 -7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.556 -12.322 -8.293 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.770 -12.226 -6.730 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.231 -13.734 -7.468 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.642 -12.523 -8.589 1.00 0.00 H new ATOM 0 HE21 GLN A 125 2.285 -13.890 -10.408 1.00 0.00 H new ATOM 0 HE22 GLN A 125 3.596 -14.754 -11.217 1.00 0.00 H new ATOM 1474 N TYR A 126 4.778 -8.908 -6.551 1.00 0.00 N ATOM 1475 CA TYR A 126 5.690 -7.932 -5.971 1.00 0.00 C ATOM 1476 C TYR A 126 5.321 -7.590 -4.535 1.00 0.00 C ATOM 1477 O TYR A 126 4.246 -7.946 -4.047 1.00 0.00 O ATOM 1478 CB TYR A 126 5.686 -6.655 -6.814 1.00 0.00 C ATOM 1479 CG TYR A 126 4.394 -5.901 -6.607 1.00 0.00 C ATOM 1480 CD1 TYR A 126 4.254 -5.045 -5.510 1.00 0.00 C ATOM 1481 CD2 TYR A 126 3.339 -6.051 -7.515 1.00 0.00 C ATOM 1482 CE1 TYR A 126 3.062 -4.340 -5.320 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.147 -5.343 -7.326 1.00 0.00 C ATOM 1484 CZ TYR A 126 2.007 -4.488 -6.228 1.00 0.00 C ATOM 1485 OH TYR A 126 0.834 -3.785 -6.037 1.00 0.00 O ATOM 0 H TYR A 126 3.841 -8.923 -6.147 1.00 0.00 H new ATOM 0 HA TYR A 126 6.685 -8.376 -5.965 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.532 -6.025 -6.538 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.805 -6.905 -7.868 1.00 0.00 H new ATOM 0 HD1 TYR A 126 5.067 -4.929 -4.809 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.445 -6.713 -8.361 1.00 0.00 H new ATOM 0 HE1 TYR A 126 2.955 -3.680 -4.472 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.335 -5.457 -8.028 1.00 0.00 H new ATOM 0 HH TYR A 126 0.070 -4.360 -6.251 1.00 0.00 H new ATOM 1495 N ASP A 127 6.230 -6.886 -3.867 1.00 0.00 N ATOM 1496 CA ASP A 127 6.012 -6.480 -2.483 1.00 0.00 C ATOM 1497 C ASP A 127 6.148 -4.969 -2.349 1.00 0.00 C ATOM 1498 O ASP A 127 6.763 -4.312 -3.190 1.00 0.00 O ATOM 1499 CB ASP A 127 7.032 -7.164 -1.567 1.00 0.00 C ATOM 1500 CG ASP A 127 6.773 -8.664 -1.523 1.00 0.00 C ATOM 1501 OD1 ASP A 127 5.711 -9.075 -1.961 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.640 -9.380 -1.048 1.00 0.00 O ATOM 0 H ASP A 127 7.122 -6.586 -4.260 1.00 0.00 H new ATOM 0 HA ASP A 127 5.005 -6.778 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 127 8.042 -6.972 -1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.968 -6.746 -0.562 1.00 0.00 H new ATOM 1507 N CYS A 128 5.576 -4.426 -1.284 1.00 0.00 N ATOM 1508 CA CYS A 128 5.646 -2.992 -1.044 1.00 0.00 C ATOM 1509 C CYS A 128 6.560 -2.701 0.144 1.00 0.00 C ATOM 1510 O CYS A 128 6.344 -3.210 1.244 1.00 0.00 O ATOM 1511 CB CYS A 128 4.243 -2.444 -0.769 1.00 0.00 C ATOM 1512 SG CYS A 128 3.224 -2.578 -2.262 1.00 0.00 S ATOM 0 H CYS A 128 5.062 -4.952 -0.577 1.00 0.00 H new ATOM 0 HA CYS A 128 6.054 -2.504 -1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.781 -2.998 0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.305 -1.403 -0.453 1.00 0.00 H new ATOM 1517 N VAL A 129 7.581 -1.880 -0.083 1.00 0.00 N ATOM 1518 CA VAL A 129 8.516 -1.531 0.983 1.00 0.00 C ATOM 1519 C VAL A 129 8.584 -0.013 1.146 1.00 0.00 C ATOM 1520 O VAL A 129 8.329 0.721 0.192 1.00 0.00 O ATOM 1521 CB VAL A 129 9.911 -2.083 0.661 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.873 -3.612 0.682 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.352 -1.615 -0.729 1.00 0.00 C ATOM 0 H VAL A 129 7.781 -1.448 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 129 8.165 -1.973 1.916 1.00 0.00 H new ATOM 0 HB VAL A 129 10.616 -1.718 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.864 -4.004 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.567 -3.955 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.161 -3.969 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.343 -2.012 -0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.644 -1.974 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.384 -0.526 -0.753 1.00 0.00 H new ATOM 1533 N PRO A 130 8.917 0.474 2.319 1.00 0.00 N ATOM 1534 CA PRO A 130 9.009 1.940 2.558 1.00 0.00 C ATOM 1535 C PRO A 130 9.976 2.602 1.581 1.00 0.00 C ATOM 1536 O PRO A 130 10.993 2.016 1.212 1.00 0.00 O ATOM 1537 CB PRO A 130 9.524 2.079 3.994 1.00 0.00 C ATOM 1538 CG PRO A 130 9.403 0.732 4.633 1.00 0.00 C ATOM 1539 CD PRO A 130 9.237 -0.308 3.522 1.00 0.00 C ATOM 0 HA PRO A 130 8.045 2.429 2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.560 2.418 4.001 1.00 0.00 H new ATOM 0 HB3 PRO A 130 8.942 2.820 4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.288 0.513 5.230 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.548 0.707 5.309 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.149 -0.889 3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.441 -1.015 3.758 1.00 0.00 H new