USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=19 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+ -145:sc= -0.088 (180deg=-0.174) USER MOD Set 1.2: A 94 GLN : amide:sc= 0 K(o=-0.088,f=-1.7!) USER MOD Set 2.1: A 82 GLN : amide:sc= -0.579! X(o=-0.79!,f=-0.66) USER MOD Set 2.2: A 84 TYR OH : rot 180:sc= -0.213 USER MOD Set 3.1: A 66 THR OG1 : rot -98:sc= 1.13 USER MOD Set 3.2: A 121 TYR OH : rot 163:sc= 0.726! 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 159:sc= -0.76 (180deg=-2.4) USER MOD Single : A 60 ASN : amide:sc= -3.91! C(o=-3.9!,f=-5.3!) USER MOD Single : A 62 ASN : amide:sc= -0.704! C(o=-0.7!,f=-7.9!) USER MOD Single : A 63 TYR OH : rot 165:sc= -0.298 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -1.72 F(o=-3.8!,f=-1.7) USER MOD Single : A 78 MET CE :methyl 153:sc= -3.86 (180deg=-7.11!) USER MOD Single : A 80 ASN : amide:sc= 0.44 K(o=0.44,f=-1.1) USER MOD Single : A 92 MET CE :methyl 156:sc= -1.44! (180deg=-2.32!) USER MOD Single : A 93 SER OG : rot 53:sc= 0.0897 USER MOD Single : A 97 ASN : amide:sc= -5.35! C(o=-5.3!,f=-10!) USER MOD Single : A 98 ASN : amide:sc= -0.041 K(o=-0.041,f=-2.4!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.33) USER MOD Single : A 108 SER OG : rot 11:sc= 0.456 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 89:sc= -1.71! USER MOD Single : A 120 LYS NZ :NH3+ -124:sc= -0.0482 (180deg=-1.79!) USER MOD Single : A 125 GLN :FLIP amide:sc= -3.88! C(o=-7.7!,f=-3.9!) USER MOD Single : A 126 TYR OH : rot -163:sc= 0.221 USER MOD ----------------------------------------------------------------- ATOM 106 N ARG A 36 1.405 -8.917 -2.722 1.00 0.00 N ATOM 107 CA ARG A 36 0.511 -8.266 -3.668 1.00 0.00 C ATOM 108 C ARG A 36 0.734 -8.841 -5.059 1.00 0.00 C ATOM 109 O ARG A 36 1.868 -9.116 -5.457 1.00 0.00 O ATOM 110 CB ARG A 36 0.731 -6.749 -3.661 1.00 0.00 C ATOM 111 CG ARG A 36 0.385 -6.216 -2.266 1.00 0.00 C ATOM 112 CD ARG A 36 0.827 -4.756 -2.123 1.00 0.00 C ATOM 113 NE ARG A 36 0.114 -4.117 -1.016 1.00 0.00 N ATOM 114 CZ ARG A 36 0.446 -4.338 0.256 1.00 0.00 C ATOM 115 NH1 ARG A 36 1.437 -5.134 0.554 1.00 0.00 N ATOM 116 NH2 ARG A 36 -0.224 -3.752 1.215 1.00 0.00 N ATOM 0 HA ARG A 36 -0.521 -8.454 -3.372 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.766 -6.515 -3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.105 -6.272 -4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.689 -6.295 -2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.873 -6.826 -1.506 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.902 -4.710 -1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.632 -4.217 -3.050 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.659 -3.485 -1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.964 -5.592 -0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.684 -5.297 1.530 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.998 -3.128 0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.028 -3.919 2.189 1.00 0.00 H new ATOM 130 N ARG A 37 -0.350 -9.032 -5.791 1.00 0.00 N ATOM 131 CA ARG A 37 -0.261 -9.585 -7.134 1.00 0.00 C ATOM 132 C ARG A 37 -1.413 -9.099 -7.992 1.00 0.00 C ATOM 133 O ARG A 37 -2.562 -9.048 -7.547 1.00 0.00 O ATOM 134 CB ARG A 37 -0.278 -11.118 -7.084 1.00 0.00 C ATOM 135 CG ARG A 37 -0.297 -11.685 -8.511 1.00 0.00 C ATOM 136 CD ARG A 37 -0.364 -13.217 -8.461 1.00 0.00 C ATOM 137 NE ARG A 37 -1.704 -13.662 -8.079 1.00 0.00 N ATOM 138 CZ ARG A 37 -2.691 -13.763 -8.972 1.00 0.00 C ATOM 139 NH1 ARG A 37 -2.479 -13.481 -10.229 1.00 0.00 N ATOM 140 NH2 ARG A 37 -3.873 -14.154 -8.583 1.00 0.00 N ATOM 0 H ARG A 37 -1.297 -8.814 -5.482 1.00 0.00 H new ATOM 0 HA ARG A 37 0.678 -9.248 -7.574 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.599 -11.483 -6.549 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.153 -11.463 -6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.155 -11.292 -9.057 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.596 -11.368 -9.050 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.102 -13.630 -9.435 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.368 -13.595 -7.747 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.889 -13.901 -7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.554 -13.181 -10.535 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.239 -13.561 -10.905 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.038 -14.380 -7.602 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.632 -14.234 -9.260 1.00 0.00 H new ATOM 154 N GLU A 38 -1.097 -8.763 -9.225 1.00 0.00 N ATOM 155 CA GLU A 38 -2.110 -8.306 -10.155 1.00 0.00 C ATOM 156 C GLU A 38 -1.994 -9.071 -11.459 1.00 0.00 C ATOM 157 O GLU A 38 -0.909 -9.506 -11.846 1.00 0.00 O ATOM 158 CB GLU A 38 -1.990 -6.805 -10.421 1.00 0.00 C ATOM 159 CG GLU A 38 -2.248 -6.027 -9.129 1.00 0.00 C ATOM 160 CD GLU A 38 -2.642 -4.594 -9.466 1.00 0.00 C ATOM 161 OE1 GLU A 38 -2.974 -4.352 -10.613 1.00 0.00 O ATOM 162 OE2 GLU A 38 -2.606 -3.763 -8.573 1.00 0.00 O ATOM 0 H GLU A 38 -0.151 -8.797 -9.606 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.086 -8.491 -9.707 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.996 -6.573 -10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.705 -6.504 -11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.040 -6.507 -8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.354 -6.032 -8.505 1.00 0.00 H new ATOM 169 N LEU A 39 -3.118 -9.244 -12.126 1.00 0.00 N ATOM 170 CA LEU A 39 -3.139 -9.969 -13.381 1.00 0.00 C ATOM 171 C LEU A 39 -4.034 -9.223 -14.358 1.00 0.00 C ATOM 172 O LEU A 39 -5.075 -8.690 -13.967 1.00 0.00 O ATOM 173 CB LEU A 39 -3.677 -11.384 -13.132 1.00 0.00 C ATOM 174 CG LEU A 39 -3.247 -12.334 -14.255 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.400 -13.777 -13.768 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.121 -12.124 -15.496 1.00 0.00 C ATOM 0 H LEU A 39 -4.026 -8.894 -11.821 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.135 -10.043 -13.799 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.310 -11.755 -12.175 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.765 -11.358 -13.067 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.209 -12.131 -14.518 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.097 -14.462 -14.560 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.771 -13.934 -12.892 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.441 -13.964 -13.506 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.803 -12.806 -16.285 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.163 -12.321 -15.245 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.019 -11.096 -15.843 1.00 0.00 H new ATOM 188 N ALA A 40 -3.635 -9.159 -15.617 1.00 0.00 N ATOM 189 CA ALA A 40 -4.440 -8.441 -16.589 1.00 0.00 C ATOM 190 C ALA A 40 -4.528 -9.200 -17.903 1.00 0.00 C ATOM 191 O ALA A 40 -3.545 -9.762 -18.384 1.00 0.00 O ATOM 192 CB ALA A 40 -3.835 -7.056 -16.826 1.00 0.00 C ATOM 0 H ALA A 40 -2.782 -9.583 -15.983 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.450 -8.341 -16.193 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.438 -6.515 -17.556 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.817 -6.501 -15.888 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.818 -7.163 -17.204 1.00 0.00 H new ATOM 198 N CYS A 41 -5.730 -9.214 -18.468 1.00 0.00 N ATOM 199 CA CYS A 41 -5.978 -9.907 -19.719 1.00 0.00 C ATOM 200 C CYS A 41 -5.227 -9.227 -20.852 1.00 0.00 C ATOM 201 O CYS A 41 -5.188 -8.001 -20.939 1.00 0.00 O ATOM 202 CB CYS A 41 -7.476 -9.894 -20.020 1.00 0.00 C ATOM 203 SG CYS A 41 -8.390 -10.533 -18.597 1.00 0.00 S ATOM 0 H CYS A 41 -6.549 -8.750 -18.075 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.630 -10.936 -19.630 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.802 -8.879 -20.248 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.685 -10.501 -20.901 1.00 0.00 H new ATOM 208 N GLU A 42 -4.617 -10.031 -21.706 1.00 0.00 N ATOM 209 CA GLU A 42 -3.853 -9.499 -22.824 1.00 0.00 C ATOM 210 C GLU A 42 -4.598 -8.382 -23.544 1.00 0.00 C ATOM 211 O GLU A 42 -5.759 -8.535 -23.923 1.00 0.00 O ATOM 212 CB GLU A 42 -3.552 -10.616 -23.822 1.00 0.00 C ATOM 213 CG GLU A 42 -2.792 -10.042 -25.019 1.00 0.00 C ATOM 214 CD GLU A 42 -2.582 -11.127 -26.066 1.00 0.00 C ATOM 215 OE1 GLU A 42 -3.015 -12.241 -25.827 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.997 -10.829 -27.094 1.00 0.00 O ATOM 0 H GLU A 42 -4.635 -11.049 -21.648 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.928 -9.088 -22.420 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.961 -11.396 -23.343 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.480 -11.079 -24.156 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.350 -9.211 -25.451 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.830 -9.646 -24.694 1.00 0.00 H new ATOM 223 N GLY A 43 -3.899 -7.273 -23.762 1.00 0.00 N ATOM 224 CA GLY A 43 -4.470 -6.148 -24.482 1.00 0.00 C ATOM 225 C GLY A 43 -5.007 -5.041 -23.579 1.00 0.00 C ATOM 226 O GLY A 43 -5.260 -3.935 -24.062 1.00 0.00 O ATOM 0 H GLY A 43 -2.938 -7.132 -23.450 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.710 -5.728 -25.141 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.279 -6.509 -25.117 1.00 0.00 H new ATOM 230 N TYR A 44 -5.185 -5.297 -22.282 1.00 0.00 N ATOM 231 CA TYR A 44 -5.692 -4.254 -21.392 1.00 0.00 C ATOM 232 C TYR A 44 -4.581 -3.780 -20.451 1.00 0.00 C ATOM 233 O TYR A 44 -3.668 -4.539 -20.127 1.00 0.00 O ATOM 234 CB TYR A 44 -6.863 -4.805 -20.572 1.00 0.00 C ATOM 235 CG TYR A 44 -8.044 -5.065 -21.482 1.00 0.00 C ATOM 236 CD1 TYR A 44 -7.964 -6.053 -22.473 1.00 0.00 C ATOM 237 CD2 TYR A 44 -9.217 -4.314 -21.334 1.00 0.00 C ATOM 238 CE1 TYR A 44 -9.059 -6.289 -23.315 1.00 0.00 C ATOM 239 CE2 TYR A 44 -10.310 -4.551 -22.176 1.00 0.00 C ATOM 240 CZ TYR A 44 -10.232 -5.537 -23.166 1.00 0.00 C ATOM 241 OH TYR A 44 -11.311 -5.767 -23.997 1.00 0.00 O ATOM 0 H TYR A 44 -4.991 -6.193 -21.834 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.033 -3.409 -21.991 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.567 -5.727 -20.071 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.141 -4.095 -19.793 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.059 -6.632 -22.588 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.278 -3.552 -20.571 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.999 -7.050 -24.079 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -11.215 -3.972 -22.061 1.00 0.00 H new ATOM 0 HH TYR A 44 -12.043 -5.161 -23.758 1.00 0.00 H new ATOM 251 N PRO A 45 -4.640 -2.549 -20.013 1.00 0.00 N ATOM 252 CA PRO A 45 -3.614 -1.970 -19.094 1.00 0.00 C ATOM 253 C PRO A 45 -3.692 -2.535 -17.682 1.00 0.00 C ATOM 254 O PRO A 45 -4.744 -2.999 -17.242 1.00 0.00 O ATOM 255 CB PRO A 45 -3.923 -0.475 -19.096 1.00 0.00 C ATOM 256 CG PRO A 45 -5.371 -0.377 -19.441 1.00 0.00 C ATOM 257 CD PRO A 45 -5.686 -1.571 -20.345 1.00 0.00 C ATOM 0 HA PRO A 45 -2.604 -2.207 -19.428 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.719 -0.029 -18.123 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.308 0.054 -19.824 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.986 -0.399 -18.541 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.585 0.562 -19.951 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.682 -1.969 -20.150 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.655 -1.294 -21.399 1.00 0.00 H new ATOM 265 N ILE A 46 -2.568 -2.479 -16.976 1.00 0.00 N ATOM 266 CA ILE A 46 -2.508 -2.975 -15.609 1.00 0.00 C ATOM 267 C ILE A 46 -2.039 -1.867 -14.674 1.00 0.00 C ATOM 268 O ILE A 46 -1.278 -0.982 -15.069 1.00 0.00 O ATOM 269 CB ILE A 46 -1.561 -4.170 -15.521 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.739 -4.868 -14.170 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.118 -3.690 -15.652 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.792 -6.070 -14.083 1.00 0.00 C ATOM 0 H ILE A 46 -1.690 -2.096 -17.327 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.505 -3.296 -15.308 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.789 -4.868 -16.326 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.532 -4.170 -13.359 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.772 -5.197 -14.052 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.557 -4.544 -15.589 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.014 -3.193 -16.613 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.107 -2.990 -14.848 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.920 -6.565 -13.121 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.020 -6.772 -14.885 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.239 -5.729 -14.181 1.00 0.00 H new ATOM 284 N GLU A 47 -2.530 -1.903 -13.444 1.00 0.00 N ATOM 285 CA GLU A 47 -2.191 -0.877 -12.473 1.00 0.00 C ATOM 286 C GLU A 47 -1.704 -1.483 -11.161 1.00 0.00 C ATOM 287 O GLU A 47 -2.411 -2.262 -10.529 1.00 0.00 O ATOM 288 CB GLU A 47 -3.437 -0.042 -12.208 1.00 0.00 C ATOM 289 CG GLU A 47 -3.083 1.169 -11.357 1.00 0.00 C ATOM 290 CD GLU A 47 -4.365 1.881 -10.944 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.424 1.413 -11.330 1.00 0.00 O ATOM 292 OE2 GLU A 47 -4.272 2.876 -10.249 1.00 0.00 O ATOM 0 H GLU A 47 -3.160 -2.627 -13.098 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.384 -0.265 -12.876 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.874 0.282 -13.152 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.188 -0.647 -11.700 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.525 0.858 -10.474 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.440 1.848 -11.918 1.00 0.00 H new ATOM 299 N LEU A 48 -0.509 -1.088 -10.741 1.00 0.00 N ATOM 300 CA LEU A 48 0.050 -1.567 -9.485 1.00 0.00 C ATOM 301 C LEU A 48 0.148 -0.402 -8.509 1.00 0.00 C ATOM 302 O LEU A 48 0.475 0.714 -8.912 1.00 0.00 O ATOM 303 CB LEU A 48 1.434 -2.167 -9.729 1.00 0.00 C ATOM 304 CG LEU A 48 1.334 -3.225 -10.830 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.731 -3.752 -11.165 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.461 -4.389 -10.356 1.00 0.00 C ATOM 0 H LEU A 48 0.090 -0.439 -11.251 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.595 -2.339 -9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.136 -1.386 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.817 -2.614 -8.812 1.00 0.00 H new ATOM 0 HG LEU A 48 0.888 -2.773 -11.716 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.657 -4.505 -11.949 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.357 -2.929 -11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.175 -4.197 -10.275 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.394 -5.138 -11.145 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.904 -4.837 -9.466 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.538 -4.022 -10.119 1.00 0.00 H new ATOM 318 N ARG A 49 -0.126 -0.643 -7.230 1.00 0.00 N ATOM 319 CA ARG A 49 -0.043 0.438 -6.254 1.00 0.00 C ATOM 320 C ARG A 49 0.388 -0.065 -4.885 1.00 0.00 C ATOM 321 O ARG A 49 -0.066 -1.109 -4.411 1.00 0.00 O ATOM 322 CB ARG A 49 -1.395 1.143 -6.115 1.00 0.00 C ATOM 323 CG ARG A 49 -1.799 1.738 -7.463 1.00 0.00 C ATOM 324 CD ARG A 49 -2.866 2.818 -7.262 1.00 0.00 C ATOM 325 NE ARG A 49 -2.272 4.041 -6.724 1.00 0.00 N ATOM 326 CZ ARG A 49 -2.339 4.321 -5.427 1.00 0.00 C ATOM 327 NH1 ARG A 49 -2.911 3.478 -4.612 1.00 0.00 N ATOM 328 NH2 ARG A 49 -1.836 5.435 -4.961 1.00 0.00 N ATOM 0 H ARG A 49 -0.400 -1.550 -6.853 1.00 0.00 H new ATOM 0 HA ARG A 49 0.708 1.137 -6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.152 0.437 -5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.332 1.929 -5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.926 2.165 -7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.183 0.954 -8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.355 3.033 -8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.636 2.453 -6.582 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.799 4.689 -7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.304 2.608 -4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.965 3.689 -3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.388 6.097 -5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.892 5.642 -3.964 1.00 0.00 H new ATOM 342 N CYS A 50 1.253 0.714 -4.257 1.00 0.00 N ATOM 343 CA CYS A 50 1.739 0.396 -2.928 1.00 0.00 C ATOM 344 C CYS A 50 1.100 1.341 -1.917 1.00 0.00 C ATOM 345 O CYS A 50 0.880 2.519 -2.210 1.00 0.00 O ATOM 346 CB CYS A 50 3.263 0.501 -2.873 1.00 0.00 C ATOM 347 SG CYS A 50 3.987 -1.085 -3.359 1.00 0.00 S ATOM 0 H CYS A 50 1.634 1.575 -4.650 1.00 0.00 H new ATOM 0 HA CYS A 50 1.465 -0.630 -2.683 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.609 1.292 -3.539 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.585 0.768 -1.866 1.00 0.00 H new ATOM 352 N PRO A 51 0.781 0.851 -0.753 1.00 0.00 N ATOM 353 CA PRO A 51 0.129 1.668 0.309 1.00 0.00 C ATOM 354 C PRO A 51 1.054 2.735 0.890 1.00 0.00 C ATOM 355 O PRO A 51 2.276 2.642 0.779 1.00 0.00 O ATOM 356 CB PRO A 51 -0.258 0.648 1.380 1.00 0.00 C ATOM 357 CG PRO A 51 0.624 -0.536 1.157 1.00 0.00 C ATOM 358 CD PRO A 51 1.015 -0.533 -0.319 1.00 0.00 C ATOM 0 HA PRO A 51 -0.721 2.224 -0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.115 1.058 2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.309 0.373 1.295 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.510 -0.481 1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.104 -1.458 1.416 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.057 -0.822 -0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.412 -1.237 -0.892 1.00 0.00 H new ATOM 366 N GLY A 52 0.453 3.730 1.528 1.00 0.00 N ATOM 367 CA GLY A 52 1.212 4.802 2.164 1.00 0.00 C ATOM 368 C GLY A 52 2.323 5.343 1.262 1.00 0.00 C ATOM 369 O GLY A 52 2.107 5.636 0.087 1.00 0.00 O ATOM 0 H GLY A 52 -0.559 3.819 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.536 5.614 2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.648 4.434 3.092 1.00 0.00 H new ATOM 373 N SER A 53 3.515 5.470 1.844 1.00 0.00 N ATOM 374 CA SER A 53 4.683 5.976 1.122 1.00 0.00 C ATOM 375 C SER A 53 5.609 4.842 0.705 1.00 0.00 C ATOM 376 O SER A 53 6.791 5.061 0.443 1.00 0.00 O ATOM 377 CB SER A 53 5.456 6.963 1.990 1.00 0.00 C ATOM 378 OG SER A 53 6.085 6.259 3.056 1.00 0.00 O ATOM 0 H SER A 53 3.698 5.228 2.818 1.00 0.00 H new ATOM 0 HA SER A 53 4.322 6.480 0.225 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.204 7.484 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.781 7.721 2.388 1.00 0.00 H new ATOM 0 HG SER A 53 6.584 6.890 3.615 1.00 0.00 H new ATOM 384 N ASP A 54 5.065 3.638 0.620 1.00 0.00 N ATOM 385 CA ASP A 54 5.847 2.485 0.205 1.00 0.00 C ATOM 386 C ASP A 54 6.042 2.496 -1.306 1.00 0.00 C ATOM 387 O ASP A 54 5.349 3.222 -2.021 1.00 0.00 O ATOM 388 CB ASP A 54 5.129 1.205 0.622 1.00 0.00 C ATOM 389 CG ASP A 54 5.173 1.051 2.138 1.00 0.00 C ATOM 390 OD1 ASP A 54 6.065 1.617 2.746 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.309 0.374 2.670 1.00 0.00 O ATOM 0 H ASP A 54 4.088 3.435 0.832 1.00 0.00 H new ATOM 0 HA ASP A 54 6.824 2.528 0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.094 1.232 0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.599 0.344 0.147 1.00 0.00 H new ATOM 396 N VAL A 55 6.972 1.683 -1.788 1.00 0.00 N ATOM 397 CA VAL A 55 7.228 1.607 -3.222 1.00 0.00 C ATOM 398 C VAL A 55 7.159 0.153 -3.688 1.00 0.00 C ATOM 399 O VAL A 55 7.591 -0.757 -2.978 1.00 0.00 O ATOM 400 CB VAL A 55 8.611 2.176 -3.539 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.681 3.639 -3.097 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.670 1.364 -2.793 1.00 0.00 C ATOM 0 H VAL A 55 7.556 1.073 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 55 6.470 2.191 -3.744 1.00 0.00 H new ATOM 0 HB VAL A 55 8.792 2.118 -4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.668 4.041 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.923 4.216 -3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.501 3.704 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.659 1.765 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.486 1.425 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.621 0.323 -3.111 1.00 0.00 H new ATOM 412 N ILE A 56 6.612 -0.053 -4.882 1.00 0.00 N ATOM 413 CA ILE A 56 6.483 -1.394 -5.441 1.00 0.00 C ATOM 414 C ILE A 56 7.844 -1.989 -5.800 1.00 0.00 C ATOM 415 O ILE A 56 8.708 -1.306 -6.354 1.00 0.00 O ATOM 416 CB ILE A 56 5.606 -1.351 -6.696 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.200 -0.880 -6.322 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.526 -2.748 -7.314 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.414 -0.570 -7.595 1.00 0.00 C ATOM 0 H ILE A 56 6.252 0.690 -5.480 1.00 0.00 H new ATOM 0 HA ILE A 56 6.023 -2.026 -4.681 1.00 0.00 H new ATOM 0 HB ILE A 56 6.042 -0.659 -7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.688 -1.649 -5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.257 0.007 -5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.902 -2.716 -8.207 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.527 -3.085 -7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.092 -3.441 -6.593 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.411 -0.234 -7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.923 0.214 -8.155 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.346 -1.468 -8.208 1.00 0.00 H new ATOM 431 N MET A 57 8.002 -3.279 -5.515 1.00 0.00 N ATOM 432 CA MET A 57 9.231 -3.995 -5.843 1.00 0.00 C ATOM 433 C MET A 57 8.866 -5.312 -6.523 1.00 0.00 C ATOM 434 O MET A 57 8.476 -6.281 -5.869 1.00 0.00 O ATOM 435 CB MET A 57 10.070 -4.260 -4.585 1.00 0.00 C ATOM 436 CG MET A 57 9.178 -4.777 -3.454 1.00 0.00 C ATOM 437 SD MET A 57 10.153 -5.807 -2.318 1.00 0.00 S ATOM 438 CE MET A 57 11.664 -4.807 -2.249 1.00 0.00 C ATOM 0 H MET A 57 7.292 -3.851 -5.057 1.00 0.00 H new ATOM 0 HA MET A 57 9.832 -3.383 -6.516 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.849 -4.989 -4.806 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.571 -3.343 -4.273 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.740 -3.939 -2.913 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.352 -5.357 -3.867 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.224 -5.055 -1.347 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.278 -5.014 -3.126 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.400 -3.750 -2.233 1.00 0.00 H new ATOM 448 N VAL A 58 8.976 -5.314 -7.850 1.00 0.00 N ATOM 449 CA VAL A 58 8.636 -6.498 -8.632 1.00 0.00 C ATOM 450 C VAL A 58 9.563 -7.660 -8.285 1.00 0.00 C ATOM 451 O VAL A 58 10.787 -7.534 -8.355 1.00 0.00 O ATOM 452 CB VAL A 58 8.733 -6.206 -10.131 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.065 -7.348 -10.900 1.00 0.00 C ATOM 454 CG2 VAL A 58 8.021 -4.887 -10.447 1.00 0.00 C ATOM 0 H VAL A 58 9.295 -4.517 -8.401 1.00 0.00 H new ATOM 0 HA VAL A 58 7.610 -6.772 -8.386 1.00 0.00 H new ATOM 0 HB VAL A 58 9.779 -6.124 -10.425 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.128 -7.151 -11.970 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.573 -8.285 -10.673 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.018 -7.422 -10.605 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.092 -4.682 -11.515 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.972 -4.962 -10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.492 -4.077 -9.890 1.00 0.00 H new ATOM 464 N GLU A 59 8.975 -8.796 -7.907 1.00 0.00 N ATOM 465 CA GLU A 59 9.764 -9.973 -7.553 1.00 0.00 C ATOM 466 C GLU A 59 9.773 -10.971 -8.699 1.00 0.00 C ATOM 467 O GLU A 59 10.828 -11.478 -9.087 1.00 0.00 O ATOM 468 CB GLU A 59 9.192 -10.637 -6.300 1.00 0.00 C ATOM 469 CG GLU A 59 9.243 -9.644 -5.140 1.00 0.00 C ATOM 470 CD GLU A 59 8.822 -10.327 -3.844 1.00 0.00 C ATOM 471 OE1 GLU A 59 8.331 -11.441 -3.915 1.00 0.00 O ATOM 472 OE2 GLU A 59 8.995 -9.723 -2.799 1.00 0.00 O ATOM 0 H GLU A 59 7.965 -8.924 -7.839 1.00 0.00 H new ATOM 0 HA GLU A 59 10.786 -9.652 -7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.165 -10.954 -6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.764 -11.532 -6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.252 -9.244 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.585 -8.800 -5.345 1.00 0.00 H new ATOM 479 N ASN A 60 8.596 -11.263 -9.228 1.00 0.00 N ATOM 480 CA ASN A 60 8.491 -12.221 -10.321 1.00 0.00 C ATOM 481 C ASN A 60 7.313 -11.874 -11.210 1.00 0.00 C ATOM 482 O ASN A 60 6.335 -11.283 -10.755 1.00 0.00 O ATOM 483 CB ASN A 60 8.292 -13.622 -9.752 1.00 0.00 C ATOM 484 CG ASN A 60 9.373 -13.928 -8.726 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.558 -13.693 -8.974 1.00 0.00 O ATOM 486 ND2 ASN A 60 9.031 -14.434 -7.575 1.00 0.00 N ATOM 0 H ASN A 60 7.710 -10.858 -8.925 1.00 0.00 H new ATOM 0 HA ASN A 60 9.408 -12.186 -10.910 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.308 -13.699 -9.289 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.324 -14.357 -10.556 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.745 -14.637 -6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.050 -14.627 -7.374 1.00 0.00 H new ATOM 493 N ALA A 61 7.417 -12.216 -12.482 1.00 0.00 N ATOM 494 CA ALA A 61 6.349 -11.907 -13.411 1.00 0.00 C ATOM 495 C ALA A 61 6.582 -12.591 -14.754 1.00 0.00 C ATOM 496 O ALA A 61 7.711 -12.943 -15.097 1.00 0.00 O ATOM 497 CB ALA A 61 6.274 -10.393 -13.599 1.00 0.00 C ATOM 0 H ALA A 61 8.217 -12.700 -12.889 1.00 0.00 H new ATOM 0 HA ALA A 61 5.407 -12.276 -13.005 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.472 -10.152 -14.297 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.075 -9.917 -12.639 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.222 -10.028 -13.995 1.00 0.00 H new ATOM 503 N ASN A 62 5.503 -12.779 -15.506 1.00 0.00 N ATOM 504 CA ASN A 62 5.598 -13.425 -16.809 1.00 0.00 C ATOM 505 C ASN A 62 4.515 -12.910 -17.755 1.00 0.00 C ATOM 506 O ASN A 62 3.402 -12.599 -17.329 1.00 0.00 O ATOM 507 CB ASN A 62 5.443 -14.937 -16.646 1.00 0.00 C ATOM 508 CG ASN A 62 5.507 -15.619 -18.007 1.00 0.00 C ATOM 509 OD1 ASN A 62 6.590 -15.849 -18.539 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.397 -15.950 -18.610 1.00 0.00 N ATOM 0 H ASN A 62 4.560 -12.496 -15.238 1.00 0.00 H new ATOM 0 HA ASN A 62 6.574 -13.192 -17.234 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.231 -15.324 -15.999 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.493 -15.163 -16.161 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.428 -16.400 -19.525 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.499 -15.758 -18.166 1.00 0.00 H new ATOM 517 N TYR A 63 4.841 -12.845 -19.043 1.00 0.00 N ATOM 518 CA TYR A 63 3.879 -12.396 -20.044 1.00 0.00 C ATOM 519 C TYR A 63 3.611 -13.525 -21.024 1.00 0.00 C ATOM 520 O TYR A 63 4.530 -14.037 -21.660 1.00 0.00 O ATOM 521 CB TYR A 63 4.429 -11.190 -20.804 1.00 0.00 C ATOM 522 CG TYR A 63 3.455 -10.759 -21.881 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.390 -9.908 -21.572 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.631 -11.199 -23.198 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.506 -9.498 -22.574 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.743 -10.789 -24.202 1.00 0.00 C ATOM 527 CZ TYR A 63 1.680 -9.938 -23.889 1.00 0.00 C ATOM 528 OH TYR A 63 0.807 -9.528 -24.878 1.00 0.00 O ATOM 0 H TYR A 63 5.757 -13.096 -19.416 1.00 0.00 H new ATOM 0 HA TYR A 63 2.954 -12.109 -19.543 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.606 -10.366 -20.113 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.390 -11.442 -21.253 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.250 -9.567 -20.557 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.453 -11.856 -23.441 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.686 -8.839 -22.331 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.880 -11.131 -25.217 1.00 0.00 H new ATOM 0 HH TYR A 63 1.196 -9.719 -25.757 1.00 0.00 H new ATOM 538 N GLY A 64 2.359 -13.938 -21.119 1.00 0.00 N ATOM 539 CA GLY A 64 2.024 -15.037 -22.005 1.00 0.00 C ATOM 540 C GLY A 64 0.745 -15.724 -21.553 1.00 0.00 C ATOM 541 O GLY A 64 -0.263 -15.076 -21.271 1.00 0.00 O ATOM 0 H GLY A 64 1.573 -13.539 -20.605 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.903 -14.666 -23.023 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.842 -15.757 -22.024 1.00 0.00 H new ATOM 545 N ARG A 65 0.819 -17.050 -21.479 1.00 0.00 N ATOM 546 CA ARG A 65 -0.313 -17.862 -21.049 1.00 0.00 C ATOM 547 C ARG A 65 0.167 -19.209 -20.520 1.00 0.00 C ATOM 548 O ARG A 65 0.699 -20.028 -21.268 1.00 0.00 O ATOM 549 CB ARG A 65 -1.287 -18.105 -22.204 1.00 0.00 C ATOM 550 CG ARG A 65 -2.376 -19.074 -21.743 1.00 0.00 C ATOM 551 CD ARG A 65 -3.736 -18.613 -22.268 1.00 0.00 C ATOM 552 NE ARG A 65 -4.178 -17.420 -21.548 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.062 -17.498 -20.558 1.00 0.00 C ATOM 554 NH1 ARG A 65 -5.537 -18.656 -20.188 1.00 0.00 N ATOM 555 NH2 ARG A 65 -5.451 -16.410 -19.947 1.00 0.00 N ATOM 0 H ARG A 65 1.655 -17.586 -21.712 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.825 -17.315 -20.257 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.733 -17.163 -22.525 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.757 -18.516 -23.063 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.158 -20.079 -22.104 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.394 -19.124 -20.654 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.668 -18.399 -23.335 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.469 -19.411 -22.149 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.801 -16.509 -21.810 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.230 -19.507 -20.659 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.215 -18.710 -19.428 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.077 -15.504 -20.230 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.129 -16.466 -19.187 1.00 0.00 H new ATOM 569 N THR A 66 -0.050 -19.437 -19.231 1.00 0.00 N ATOM 570 CA THR A 66 0.334 -20.700 -18.606 1.00 0.00 C ATOM 571 C THR A 66 -0.914 -21.391 -18.073 1.00 0.00 C ATOM 572 O THR A 66 -0.833 -22.360 -17.316 1.00 0.00 O ATOM 573 CB THR A 66 1.313 -20.462 -17.445 1.00 0.00 C ATOM 574 OG1 THR A 66 0.623 -19.859 -16.359 1.00 0.00 O ATOM 575 CG2 THR A 66 2.453 -19.545 -17.891 1.00 0.00 C ATOM 0 H THR A 66 -0.488 -18.768 -18.598 1.00 0.00 H new ATOM 0 HA THR A 66 0.825 -21.324 -19.353 1.00 0.00 H new ATOM 0 HB THR A 66 1.729 -21.420 -17.133 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.772 -18.890 -16.374 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.138 -19.385 -17.059 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.990 -20.008 -18.719 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.045 -18.587 -18.214 1.00 0.00 H new ATOM 583 N ASP A 67 -2.074 -20.870 -18.464 1.00 0.00 N ATOM 584 CA ASP A 67 -3.342 -21.421 -18.009 1.00 0.00 C ATOM 585 C ASP A 67 -4.418 -21.263 -19.082 1.00 0.00 C ATOM 586 O ASP A 67 -4.131 -20.867 -20.211 1.00 0.00 O ATOM 587 CB ASP A 67 -3.768 -20.704 -16.724 1.00 0.00 C ATOM 588 CG ASP A 67 -4.918 -21.444 -16.051 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.179 -22.572 -16.435 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.518 -20.868 -15.155 1.00 0.00 O ATOM 0 H ASP A 67 -2.160 -20.071 -19.092 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.217 -22.486 -17.812 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.922 -20.638 -16.040 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.071 -19.683 -16.955 1.00 0.00 H new ATOM 595 N ASP A 68 -5.656 -21.573 -18.717 1.00 0.00 N ATOM 596 CA ASP A 68 -6.774 -21.461 -19.648 1.00 0.00 C ATOM 597 C ASP A 68 -8.028 -21.037 -18.898 1.00 0.00 C ATOM 598 O ASP A 68 -9.087 -20.833 -19.494 1.00 0.00 O ATOM 599 CB ASP A 68 -7.024 -22.800 -20.344 1.00 0.00 C ATOM 600 CG ASP A 68 -7.554 -23.815 -19.340 1.00 0.00 C ATOM 601 OD1 ASP A 68 -7.319 -23.624 -18.162 1.00 0.00 O ATOM 602 OD2 ASP A 68 -8.180 -24.772 -19.764 1.00 0.00 O ATOM 0 H ASP A 68 -5.912 -21.903 -17.786 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.528 -20.712 -20.400 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.740 -22.670 -21.155 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.099 -23.166 -20.791 1.00 0.00 H new ATOM 607 N LYS A 69 -7.893 -20.903 -17.585 1.00 0.00 N ATOM 608 CA LYS A 69 -9.012 -20.500 -16.744 1.00 0.00 C ATOM 609 C LYS A 69 -8.927 -19.027 -16.388 1.00 0.00 C ATOM 610 O LYS A 69 -9.714 -18.530 -15.582 1.00 0.00 O ATOM 611 CB LYS A 69 -9.016 -21.328 -15.464 1.00 0.00 C ATOM 612 CG LYS A 69 -9.335 -22.772 -15.815 1.00 0.00 C ATOM 613 CD LYS A 69 -9.353 -23.620 -14.546 1.00 0.00 C ATOM 614 CE LYS A 69 -9.428 -25.090 -14.940 1.00 0.00 C ATOM 615 NZ LYS A 69 -8.048 -25.644 -15.010 1.00 0.00 N ATOM 0 H LYS A 69 -7.022 -21.067 -17.080 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.933 -20.669 -17.301 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.046 -21.265 -14.971 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.755 -20.938 -14.764 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.302 -22.829 -16.316 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.592 -23.159 -16.512 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.457 -23.433 -13.954 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.207 -23.352 -13.925 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.020 -25.645 -14.212 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.926 -25.197 -15.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.090 -26.648 -15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.499 -25.119 -15.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.590 -25.553 -14.081 1.00 0.00 H new ATOM 629 N ILE A 70 -7.967 -18.326 -16.977 1.00 0.00 N ATOM 630 CA ILE A 70 -7.802 -16.909 -16.689 1.00 0.00 C ATOM 631 C ILE A 70 -8.157 -16.080 -17.915 1.00 0.00 C ATOM 632 O ILE A 70 -7.767 -16.407 -19.033 1.00 0.00 O ATOM 633 CB ILE A 70 -6.356 -16.632 -16.284 1.00 0.00 C ATOM 634 CG1 ILE A 70 -5.928 -17.641 -15.216 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.229 -15.210 -15.731 1.00 0.00 C ATOM 636 CD1 ILE A 70 -6.899 -17.608 -14.031 1.00 0.00 C ATOM 0 H ILE A 70 -7.300 -18.709 -17.647 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.468 -16.635 -15.871 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.712 -16.729 -17.158 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.900 -18.643 -15.644 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.919 -17.412 -14.874 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.194 -15.022 -15.445 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.530 -14.494 -16.496 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.872 -15.100 -14.858 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.581 -18.331 -13.280 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.906 -16.610 -13.594 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.902 -17.860 -14.375 1.00 0.00 H new ATOM 648 N CYS A 71 -8.904 -15.009 -17.697 1.00 0.00 N ATOM 649 CA CYS A 71 -9.308 -14.148 -18.801 1.00 0.00 C ATOM 650 C CYS A 71 -9.985 -14.976 -19.882 1.00 0.00 C ATOM 651 O CYS A 71 -9.405 -15.256 -20.928 1.00 0.00 O ATOM 652 CB CYS A 71 -8.084 -13.443 -19.375 1.00 0.00 C ATOM 653 SG CYS A 71 -7.447 -12.262 -18.156 1.00 0.00 S ATOM 0 H CYS A 71 -9.240 -14.716 -16.779 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.013 -13.401 -18.435 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.315 -14.173 -19.628 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.347 -12.925 -20.297 1.00 0.00 H new ATOM 658 N ASP A 72 -11.216 -15.365 -19.603 1.00 0.00 N ATOM 659 CA ASP A 72 -11.984 -16.173 -20.531 1.00 0.00 C ATOM 660 C ASP A 72 -12.109 -15.497 -21.891 1.00 0.00 C ATOM 661 O ASP A 72 -12.666 -14.405 -22.015 1.00 0.00 O ATOM 662 CB ASP A 72 -13.376 -16.432 -19.962 1.00 0.00 C ATOM 663 CG ASP A 72 -14.114 -17.447 -20.830 1.00 0.00 C ATOM 664 OD1 ASP A 72 -14.729 -17.032 -21.798 1.00 0.00 O ATOM 665 OD2 ASP A 72 -14.054 -18.621 -20.510 1.00 0.00 O ATOM 0 H ASP A 72 -11.706 -15.133 -18.739 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.456 -17.117 -20.668 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.297 -16.804 -18.941 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.940 -15.500 -19.919 1.00 0.00 H new ATOM 670 N ALA A 73 -11.607 -16.182 -22.908 1.00 0.00 N ATOM 671 CA ALA A 73 -11.673 -15.697 -24.279 1.00 0.00 C ATOM 672 C ALA A 73 -12.036 -16.870 -25.175 1.00 0.00 C ATOM 673 O ALA A 73 -12.483 -17.902 -24.682 1.00 0.00 O ATOM 674 CB ALA A 73 -10.326 -15.107 -24.707 1.00 0.00 C ATOM 0 H ALA A 73 -11.144 -17.086 -22.807 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.423 -14.910 -24.359 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.395 -14.750 -25.735 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.068 -14.276 -24.051 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.555 -15.875 -24.641 1.00 0.00 H new ATOM 680 N ASP A 74 -11.840 -16.739 -26.482 1.00 0.00 N ATOM 681 CA ASP A 74 -12.166 -17.848 -27.361 1.00 0.00 C ATOM 682 C ASP A 74 -11.323 -19.062 -26.955 1.00 0.00 C ATOM 683 O ASP A 74 -10.129 -18.928 -26.689 1.00 0.00 O ATOM 684 CB ASP A 74 -11.907 -17.480 -28.827 1.00 0.00 C ATOM 685 CG ASP A 74 -10.659 -16.611 -28.953 1.00 0.00 C ATOM 686 OD1 ASP A 74 -10.068 -16.304 -27.935 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.315 -16.270 -30.072 1.00 0.00 O ATOM 0 H ASP A 74 -11.470 -15.907 -26.941 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.225 -18.086 -27.265 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.786 -18.387 -29.419 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.769 -16.949 -29.231 1.00 0.00 H new ATOM 692 N PRO A 75 -11.921 -20.224 -26.863 1.00 0.00 N ATOM 693 CA PRO A 75 -11.206 -21.465 -26.432 1.00 0.00 C ATOM 694 C PRO A 75 -9.945 -21.756 -27.249 1.00 0.00 C ATOM 695 O PRO A 75 -8.966 -22.278 -26.718 1.00 0.00 O ATOM 696 CB PRO A 75 -12.238 -22.589 -26.613 1.00 0.00 C ATOM 697 CG PRO A 75 -13.381 -22.000 -27.371 1.00 0.00 C ATOM 698 CD PRO A 75 -13.334 -20.492 -27.161 1.00 0.00 C ATOM 0 HA PRO A 75 -10.851 -21.365 -25.406 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.805 -23.429 -27.156 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.569 -22.970 -25.647 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.305 -22.243 -28.431 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.328 -22.408 -27.017 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.665 -19.954 -28.049 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.982 -20.182 -26.341 1.00 0.00 H new ATOM 706 N PHE A 76 -9.971 -21.403 -28.529 1.00 0.00 N ATOM 707 CA PHE A 76 -8.821 -21.639 -29.405 1.00 0.00 C ATOM 708 C PHE A 76 -7.610 -20.828 -28.954 1.00 0.00 C ATOM 709 O PHE A 76 -6.477 -21.303 -29.018 1.00 0.00 O ATOM 710 CB PHE A 76 -9.184 -21.262 -30.846 1.00 0.00 C ATOM 711 CG PHE A 76 -10.122 -22.299 -31.423 1.00 0.00 C ATOM 712 CD1 PHE A 76 -11.481 -22.269 -31.093 1.00 0.00 C ATOM 713 CD2 PHE A 76 -9.634 -23.294 -32.282 1.00 0.00 C ATOM 714 CE1 PHE A 76 -12.353 -23.230 -31.619 1.00 0.00 C ATOM 715 CE2 PHE A 76 -10.508 -24.256 -32.809 1.00 0.00 C ATOM 716 CZ PHE A 76 -11.868 -24.225 -32.477 1.00 0.00 C ATOM 0 H PHE A 76 -10.767 -20.956 -28.984 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.564 -22.697 -29.353 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.655 -20.279 -30.867 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.281 -21.196 -31.453 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.858 -21.503 -30.431 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.585 -23.320 -32.538 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.402 -23.204 -31.363 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.132 -25.021 -33.472 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.541 -24.966 -32.882 1.00 0.00 H new ATOM 726 N GLN A 77 -7.853 -19.607 -28.493 1.00 0.00 N ATOM 727 CA GLN A 77 -6.770 -18.747 -28.030 1.00 0.00 C ATOM 728 C GLN A 77 -6.466 -19.027 -26.561 1.00 0.00 C ATOM 729 O GLN A 77 -5.625 -18.367 -25.958 1.00 0.00 O ATOM 730 CB GLN A 77 -7.166 -17.276 -28.189 1.00 0.00 C ATOM 731 CG GLN A 77 -7.536 -16.984 -29.646 1.00 0.00 C ATOM 732 CD GLN A 77 -7.710 -15.483 -29.840 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.511 -14.679 -28.832 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -8.029 -15.027 -30.939 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.783 -19.192 -28.430 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.883 -18.954 -28.629 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.010 -17.046 -27.539 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.341 -16.634 -27.880 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.758 -17.359 -30.311 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.457 -17.504 -29.909 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.184 -15.656 -31.727 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.138 -14.020 -31.061 1.00 0.00 H new ATOM 743 N MET A 78 -7.168 -20.000 -25.987 1.00 0.00 N ATOM 744 CA MET A 78 -6.973 -20.344 -24.582 1.00 0.00 C ATOM 745 C MET A 78 -6.572 -21.807 -24.417 1.00 0.00 C ATOM 746 O MET A 78 -6.376 -22.274 -23.296 1.00 0.00 O ATOM 747 CB MET A 78 -8.256 -20.061 -23.794 1.00 0.00 C ATOM 748 CG MET A 78 -8.389 -18.550 -23.578 1.00 0.00 C ATOM 749 SD MET A 78 -7.438 -18.052 -22.113 1.00 0.00 S ATOM 750 CE MET A 78 -8.717 -18.345 -20.858 1.00 0.00 C ATOM 0 H MET A 78 -7.871 -20.560 -26.468 1.00 0.00 H new ATOM 0 HA MET A 78 -6.162 -19.728 -24.193 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.122 -20.441 -24.336 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.229 -20.577 -22.834 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.028 -18.015 -24.456 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.438 -18.283 -23.450 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.244 -18.567 -19.901 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.339 -17.455 -20.758 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.337 -19.189 -21.161 1.00 0.00 H new ATOM 760 N GLU A 79 -6.463 -22.539 -25.526 1.00 0.00 N ATOM 761 CA GLU A 79 -6.097 -23.952 -25.445 1.00 0.00 C ATOM 762 C GLU A 79 -4.684 -24.154 -24.904 1.00 0.00 C ATOM 763 O GLU A 79 -4.477 -24.987 -24.020 1.00 0.00 O ATOM 764 CB GLU A 79 -6.172 -24.624 -26.823 1.00 0.00 C ATOM 765 CG GLU A 79 -7.611 -25.009 -27.159 1.00 0.00 C ATOM 766 CD GLU A 79 -7.626 -25.903 -28.395 1.00 0.00 C ATOM 767 OE1 GLU A 79 -6.554 -26.208 -28.894 1.00 0.00 O ATOM 768 OE2 GLU A 79 -8.709 -26.273 -28.822 1.00 0.00 O ATOM 0 H GLU A 79 -6.619 -22.187 -26.471 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.814 -24.405 -24.760 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.784 -23.947 -27.585 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.541 -25.512 -26.835 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.065 -25.529 -26.316 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.205 -24.113 -27.338 1.00 0.00 H new ATOM 775 N ASN A 80 -3.710 -23.429 -25.439 1.00 0.00 N ATOM 776 CA ASN A 80 -2.327 -23.598 -25.000 1.00 0.00 C ATOM 777 C ASN A 80 -2.040 -22.902 -23.677 1.00 0.00 C ATOM 778 O ASN A 80 -2.100 -21.681 -23.573 1.00 0.00 O ATOM 779 CB ASN A 80 -1.385 -23.040 -26.063 1.00 0.00 C ATOM 780 CG ASN A 80 0.057 -23.324 -25.667 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.397 -24.456 -25.319 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.930 -22.356 -25.696 1.00 0.00 N ATOM 0 H ASN A 80 -3.846 -22.728 -26.167 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.167 -24.666 -24.854 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.603 -23.493 -27.030 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.538 -21.966 -26.172 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.898 -22.534 -25.430 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.645 -21.420 -25.985 1.00 0.00 H new ATOM 789 N VAL A 81 -1.696 -23.709 -22.680 1.00 0.00 N ATOM 790 CA VAL A 81 -1.362 -23.190 -21.361 1.00 0.00 C ATOM 791 C VAL A 81 0.144 -23.258 -21.146 1.00 0.00 C ATOM 792 O VAL A 81 0.613 -23.527 -20.040 1.00 0.00 O ATOM 793 CB VAL A 81 -2.071 -23.987 -20.268 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.587 -23.930 -20.489 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.592 -25.443 -20.306 1.00 0.00 C ATOM 0 H VAL A 81 -1.641 -24.724 -22.761 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.694 -22.153 -21.306 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.837 -23.557 -19.294 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.090 -24.500 -19.708 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.921 -22.893 -20.454 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.829 -24.357 -21.462 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.097 -26.013 -19.526 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.822 -25.876 -21.279 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.515 -25.476 -20.140 1.00 0.00 H new ATOM 805 N GLN A 82 0.900 -23.007 -22.212 1.00 0.00 N ATOM 806 CA GLN A 82 2.354 -23.040 -22.131 1.00 0.00 C ATOM 807 C GLN A 82 2.959 -21.927 -22.965 1.00 0.00 C ATOM 808 O GLN A 82 3.369 -22.141 -24.105 1.00 0.00 O ATOM 809 CB GLN A 82 2.878 -24.384 -22.620 1.00 0.00 C ATOM 810 CG GLN A 82 2.477 -25.465 -21.622 1.00 0.00 C ATOM 811 CD GLN A 82 3.186 -25.232 -20.294 1.00 0.00 C ATOM 812 OE1 GLN A 82 4.393 -25.447 -20.185 1.00 0.00 O ATOM 813 NE2 GLN A 82 2.506 -24.785 -19.275 1.00 0.00 N ATOM 0 H GLN A 82 0.531 -22.780 -23.135 1.00 0.00 H new ATOM 0 HA GLN A 82 2.641 -22.898 -21.089 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.471 -24.611 -23.605 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.963 -24.350 -22.723 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.397 -25.454 -21.475 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.735 -26.449 -22.015 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.506 -24.608 -19.368 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.974 -24.613 -18.385 1.00 0.00 H new ATOM 822 N CYS A 83 3.027 -20.742 -22.379 1.00 0.00 N ATOM 823 CA CYS A 83 3.591 -19.592 -23.056 1.00 0.00 C ATOM 824 C CYS A 83 4.274 -18.699 -22.022 1.00 0.00 C ATOM 825 O CYS A 83 3.611 -18.180 -21.123 1.00 0.00 O ATOM 826 CB CYS A 83 2.473 -18.819 -23.748 1.00 0.00 C ATOM 827 SG CYS A 83 3.131 -17.281 -24.419 1.00 0.00 S ATOM 0 H CYS A 83 2.696 -20.554 -21.432 1.00 0.00 H new ATOM 0 HA CYS A 83 4.319 -19.913 -23.801 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.041 -19.421 -24.547 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.672 -18.606 -23.040 1.00 0.00 H new ATOM 832 N TYR A 84 5.590 -18.522 -22.131 1.00 0.00 N ATOM 833 CA TYR A 84 6.307 -17.691 -21.166 1.00 0.00 C ATOM 834 C TYR A 84 7.202 -16.662 -21.863 1.00 0.00 C ATOM 835 O TYR A 84 7.613 -16.854 -23.006 1.00 0.00 O ATOM 836 CB TYR A 84 7.180 -18.574 -20.266 1.00 0.00 C ATOM 837 CG TYR A 84 6.360 -19.715 -19.720 1.00 0.00 C ATOM 838 CD1 TYR A 84 5.987 -20.768 -20.561 1.00 0.00 C ATOM 839 CD2 TYR A 84 5.971 -19.724 -18.375 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.226 -21.830 -20.062 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.208 -20.788 -17.875 1.00 0.00 C ATOM 842 CZ TYR A 84 4.836 -21.841 -18.719 1.00 0.00 C ATOM 843 OH TYR A 84 4.084 -22.885 -18.229 1.00 0.00 O ATOM 0 H TYR A 84 6.171 -18.933 -22.862 1.00 0.00 H new ATOM 0 HA TYR A 84 5.562 -17.160 -20.573 1.00 0.00 H new ATOM 0 HB2 TYR A 84 8.027 -18.961 -20.832 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.588 -17.983 -19.446 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.287 -20.761 -21.598 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.259 -18.912 -17.724 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.939 -22.642 -20.714 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.907 -20.796 -16.838 1.00 0.00 H new ATOM 0 HH TYR A 84 3.900 -22.737 -17.278 1.00 0.00 H new ATOM 853 N LEU A 85 7.522 -15.587 -21.139 1.00 0.00 N ATOM 854 CA LEU A 85 8.401 -14.535 -21.655 1.00 0.00 C ATOM 855 C LEU A 85 9.222 -13.967 -20.492 1.00 0.00 C ATOM 856 O LEU A 85 8.782 -13.051 -19.797 1.00 0.00 O ATOM 857 CB LEU A 85 7.593 -13.407 -22.314 1.00 0.00 C ATOM 858 CG LEU A 85 8.565 -12.361 -22.893 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.040 -12.791 -24.285 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.861 -11.010 -23.028 1.00 0.00 C ATOM 0 H LEU A 85 7.184 -15.422 -20.191 1.00 0.00 H new ATOM 0 HA LEU A 85 9.057 -14.964 -22.412 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.960 -13.810 -23.105 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.932 -12.942 -21.583 1.00 0.00 H new ATOM 0 HG LEU A 85 9.416 -12.278 -22.217 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.726 -12.043 -24.682 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.551 -13.751 -24.215 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.181 -12.885 -24.950 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.556 -10.277 -23.438 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.005 -11.111 -23.695 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.520 -10.678 -22.047 1.00 0.00 H new ATOM 872 N PRO A 86 10.378 -14.527 -20.248 1.00 0.00 N ATOM 873 CA PRO A 86 11.266 -14.112 -19.114 1.00 0.00 C ATOM 874 C PRO A 86 11.486 -12.600 -19.023 1.00 0.00 C ATOM 875 O PRO A 86 11.416 -12.024 -17.940 1.00 0.00 O ATOM 876 CB PRO A 86 12.588 -14.832 -19.402 1.00 0.00 C ATOM 877 CG PRO A 86 12.242 -15.990 -20.283 1.00 0.00 C ATOM 878 CD PRO A 86 10.968 -15.618 -21.035 1.00 0.00 C ATOM 0 HA PRO A 86 10.818 -14.373 -18.155 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.296 -14.165 -19.894 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.057 -15.171 -18.478 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.053 -16.199 -20.980 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.090 -16.892 -19.691 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.188 -15.298 -22.053 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.288 -16.467 -21.107 1.00 0.00 H new ATOM 886 N ASP A 87 11.788 -11.972 -20.152 1.00 0.00 N ATOM 887 CA ASP A 87 12.059 -10.535 -20.180 1.00 0.00 C ATOM 888 C ASP A 87 10.891 -9.713 -19.640 1.00 0.00 C ATOM 889 O ASP A 87 11.063 -8.547 -19.290 1.00 0.00 O ATOM 890 CB ASP A 87 12.359 -10.111 -21.614 1.00 0.00 C ATOM 891 CG ASP A 87 13.636 -10.791 -22.092 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.424 -11.182 -21.247 1.00 0.00 O ATOM 893 OD2 ASP A 87 13.807 -10.911 -23.295 1.00 0.00 O ATOM 0 H ASP A 87 11.852 -12.431 -21.060 1.00 0.00 H new ATOM 0 HA ASP A 87 12.917 -10.346 -19.534 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.527 -10.379 -22.265 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.470 -9.028 -21.668 1.00 0.00 H new ATOM 898 N ALA A 88 9.707 -10.305 -19.580 1.00 0.00 N ATOM 899 CA ALA A 88 8.545 -9.582 -19.076 1.00 0.00 C ATOM 900 C ALA A 88 8.815 -9.040 -17.677 1.00 0.00 C ATOM 901 O ALA A 88 8.344 -7.961 -17.318 1.00 0.00 O ATOM 902 CB ALA A 88 7.327 -10.502 -19.030 1.00 0.00 C ATOM 0 H ALA A 88 9.525 -11.266 -19.868 1.00 0.00 H new ATOM 0 HA ALA A 88 8.347 -8.749 -19.751 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.467 -9.949 -18.652 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.110 -10.869 -20.033 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.533 -11.346 -18.372 1.00 0.00 H new ATOM 908 N PHE A 89 9.581 -9.793 -16.894 1.00 0.00 N ATOM 909 CA PHE A 89 9.919 -9.385 -15.537 1.00 0.00 C ATOM 910 C PHE A 89 10.784 -8.129 -15.523 1.00 0.00 C ATOM 911 O PHE A 89 10.546 -7.205 -14.748 1.00 0.00 O ATOM 912 CB PHE A 89 10.669 -10.516 -14.835 1.00 0.00 C ATOM 913 CG PHE A 89 11.275 -9.987 -13.563 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.488 -9.836 -12.416 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.630 -9.637 -13.532 1.00 0.00 C ATOM 916 CE1 PHE A 89 11.057 -9.336 -11.239 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.198 -9.137 -12.357 1.00 0.00 C ATOM 918 CZ PHE A 89 12.413 -8.987 -11.208 1.00 0.00 C ATOM 0 H PHE A 89 9.979 -10.689 -17.177 1.00 0.00 H new ATOM 0 HA PHE A 89 8.988 -9.163 -15.015 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.989 -11.339 -14.614 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.448 -10.913 -15.486 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.442 -10.105 -12.439 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.237 -9.754 -14.417 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.450 -9.219 -10.354 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.243 -8.866 -12.336 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.852 -8.603 -10.299 1.00 0.00 H new ATOM 928 N LYS A 90 11.805 -8.120 -16.371 1.00 0.00 N ATOM 929 CA LYS A 90 12.729 -6.995 -16.436 1.00 0.00 C ATOM 930 C LYS A 90 12.033 -5.720 -16.909 1.00 0.00 C ATOM 931 O LYS A 90 12.286 -4.641 -16.371 1.00 0.00 O ATOM 932 CB LYS A 90 13.925 -7.361 -17.334 1.00 0.00 C ATOM 933 CG LYS A 90 13.667 -6.976 -18.795 1.00 0.00 C ATOM 934 CD LYS A 90 14.198 -5.567 -19.074 1.00 0.00 C ATOM 935 CE LYS A 90 14.013 -5.251 -20.558 1.00 0.00 C ATOM 936 NZ LYS A 90 13.489 -3.866 -20.715 1.00 0.00 N ATOM 0 H LYS A 90 12.014 -8.877 -17.022 1.00 0.00 H new ATOM 0 HA LYS A 90 13.099 -6.788 -15.432 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.820 -6.853 -16.975 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.118 -8.432 -17.267 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.151 -7.693 -19.458 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.598 -7.018 -19.006 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.666 -4.837 -18.464 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.252 -5.501 -18.803 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.963 -5.352 -21.082 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.323 -5.964 -21.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.838 -3.831 -21.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.981 -3.587 -19.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.281 -3.212 -20.878 1.00 0.00 H new ATOM 950 N ILE A 91 11.156 -5.839 -17.899 1.00 0.00 N ATOM 951 CA ILE A 91 10.444 -4.669 -18.407 1.00 0.00 C ATOM 952 C ILE A 91 9.610 -4.019 -17.300 1.00 0.00 C ATOM 953 O ILE A 91 9.673 -2.807 -17.092 1.00 0.00 O ATOM 954 CB ILE A 91 9.535 -5.059 -19.579 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.374 -5.593 -20.745 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.763 -3.829 -20.050 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.446 -6.190 -21.807 1.00 0.00 C ATOM 0 H ILE A 91 10.922 -6.718 -18.361 1.00 0.00 H new ATOM 0 HA ILE A 91 11.185 -3.950 -18.757 1.00 0.00 H new ATOM 0 HB ILE A 91 8.844 -5.834 -19.247 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.970 -4.789 -21.177 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.072 -6.351 -20.388 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.116 -4.103 -20.883 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.156 -3.444 -19.230 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.465 -3.060 -20.373 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.041 -6.570 -22.637 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.870 -7.005 -21.370 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.766 -5.420 -22.171 1.00 0.00 H new ATOM 969 N MET A 92 8.827 -4.826 -16.587 1.00 0.00 N ATOM 970 CA MET A 92 7.992 -4.299 -15.516 1.00 0.00 C ATOM 971 C MET A 92 8.828 -3.885 -14.312 1.00 0.00 C ATOM 972 O MET A 92 8.518 -2.896 -13.646 1.00 0.00 O ATOM 973 CB MET A 92 6.966 -5.340 -15.077 1.00 0.00 C ATOM 974 CG MET A 92 5.976 -5.603 -16.213 1.00 0.00 C ATOM 975 SD MET A 92 4.571 -6.542 -15.571 1.00 0.00 S ATOM 976 CE MET A 92 3.743 -5.137 -14.786 1.00 0.00 C ATOM 0 H MET A 92 8.755 -5.833 -16.730 1.00 0.00 H new ATOM 0 HA MET A 92 7.480 -3.420 -15.907 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.470 -6.266 -14.800 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.434 -4.989 -14.193 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.634 -4.660 -16.639 1.00 0.00 H new ATOM 0 HG3 MET A 92 6.463 -6.157 -17.015 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.678 -5.349 -14.690 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.170 -4.969 -13.797 1.00 0.00 H new ATOM 0 HE3 MET A 92 3.881 -4.245 -15.397 1.00 0.00 H new ATOM 986 N SER A 93 9.882 -4.641 -14.032 1.00 0.00 N ATOM 987 CA SER A 93 10.738 -4.333 -12.899 1.00 0.00 C ATOM 988 C SER A 93 11.254 -2.901 -13.016 1.00 0.00 C ATOM 989 O SER A 93 11.238 -2.141 -12.050 1.00 0.00 O ATOM 990 CB SER A 93 11.909 -5.319 -12.872 1.00 0.00 C ATOM 991 OG SER A 93 11.413 -6.631 -12.625 1.00 0.00 O ATOM 0 H SER A 93 10.161 -5.463 -14.568 1.00 0.00 H new ATOM 0 HA SER A 93 10.171 -4.424 -11.973 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.444 -5.293 -13.821 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.621 -5.035 -12.097 1.00 0.00 H new ATOM 0 HG SER A 93 10.708 -6.842 -13.272 1.00 0.00 H new ATOM 997 N GLN A 94 11.674 -2.536 -14.216 1.00 0.00 N ATOM 998 CA GLN A 94 12.165 -1.190 -14.482 1.00 0.00 C ATOM 999 C GLN A 94 11.037 -0.158 -14.384 1.00 0.00 C ATOM 1000 O GLN A 94 11.239 0.973 -13.937 1.00 0.00 O ATOM 1001 CB GLN A 94 12.765 -1.141 -15.888 1.00 0.00 C ATOM 1002 CG GLN A 94 14.038 -1.990 -15.950 1.00 0.00 C ATOM 1003 CD GLN A 94 14.602 -1.952 -17.370 1.00 0.00 C ATOM 1004 OE1 GLN A 94 13.917 -1.521 -18.293 1.00 0.00 O ATOM 1005 NE2 GLN A 94 15.816 -2.374 -17.601 1.00 0.00 N ATOM 0 H GLN A 94 11.685 -3.155 -15.027 1.00 0.00 H new ATOM 0 HA GLN A 94 12.921 -0.948 -13.735 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.039 -1.507 -16.614 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.993 -0.110 -16.158 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.776 -1.611 -15.243 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.818 -3.018 -15.661 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.386 -2.732 -16.835 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.194 -2.345 -18.548 1.00 0.00 H new ATOM 1014 N ARG A 95 9.865 -0.555 -14.856 1.00 0.00 N ATOM 1015 CA ARG A 95 8.698 0.327 -14.886 1.00 0.00 C ATOM 1016 C ARG A 95 8.026 0.536 -13.528 1.00 0.00 C ATOM 1017 O ARG A 95 7.483 1.608 -13.276 1.00 0.00 O ATOM 1018 CB ARG A 95 7.687 -0.232 -15.878 1.00 0.00 C ATOM 1019 CG ARG A 95 8.274 -0.114 -17.283 1.00 0.00 C ATOM 1020 CD ARG A 95 7.289 -0.677 -18.305 1.00 0.00 C ATOM 1021 NE ARG A 95 6.218 0.284 -18.552 1.00 0.00 N ATOM 1022 CZ ARG A 95 5.679 0.428 -19.759 1.00 0.00 C ATOM 1023 NH1 ARG A 95 6.107 -0.288 -20.764 1.00 0.00 N ATOM 1024 NH2 ARG A 95 4.720 1.295 -19.946 1.00 0.00 N ATOM 0 H ARG A 95 9.692 -1.489 -15.227 1.00 0.00 H new ATOM 0 HA ARG A 95 9.059 1.310 -15.189 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.464 -1.274 -15.646 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.748 0.317 -15.812 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.490 0.930 -17.510 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.219 -0.655 -17.339 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.808 -0.902 -19.237 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.870 -1.614 -17.939 1.00 0.00 H new ATOM 0 HE ARG A 95 5.876 0.858 -17.781 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.859 -0.963 -20.626 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.689 -0.172 -21.687 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.385 1.861 -19.166 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.306 1.406 -20.872 1.00 0.00 H new ATOM 1038 N CYS A 96 8.011 -0.481 -12.667 1.00 0.00 N ATOM 1039 CA CYS A 96 7.332 -0.334 -11.377 1.00 0.00 C ATOM 1040 C CYS A 96 8.282 -0.290 -10.169 1.00 0.00 C ATOM 1041 O CYS A 96 7.883 0.160 -9.096 1.00 0.00 O ATOM 1042 CB CYS A 96 6.327 -1.474 -11.186 1.00 0.00 C ATOM 1043 SG CYS A 96 5.474 -1.813 -12.754 1.00 0.00 S ATOM 0 H CYS A 96 8.446 -1.389 -12.829 1.00 0.00 H new ATOM 0 HA CYS A 96 6.829 0.632 -11.413 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.842 -2.371 -10.840 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.602 -1.207 -10.417 1.00 0.00 H new ATOM 1048 N ASN A 97 9.513 -0.772 -10.312 1.00 0.00 N ATOM 1049 CA ASN A 97 10.439 -0.779 -9.173 1.00 0.00 C ATOM 1050 C ASN A 97 10.679 0.615 -8.604 1.00 0.00 C ATOM 1051 O ASN A 97 10.884 1.580 -9.342 1.00 0.00 O ATOM 1052 CB ASN A 97 11.793 -1.372 -9.569 1.00 0.00 C ATOM 1053 CG ASN A 97 11.680 -2.879 -9.759 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.625 -3.455 -9.515 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.719 -3.561 -10.158 1.00 0.00 N ATOM 0 H ASN A 97 9.890 -1.154 -11.179 1.00 0.00 H new ATOM 0 HA ASN A 97 9.964 -1.393 -8.408 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.144 -0.909 -10.491 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.533 -1.151 -8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.654 -4.573 -10.267 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.596 -3.082 -10.361 1.00 0.00 H new ATOM 1062 N ASN A 98 10.679 0.695 -7.273 1.00 0.00 N ATOM 1063 CA ASN A 98 10.931 1.947 -6.566 1.00 0.00 C ATOM 1064 C ASN A 98 9.845 2.991 -6.814 1.00 0.00 C ATOM 1065 O ASN A 98 10.022 4.161 -6.481 1.00 0.00 O ATOM 1066 CB ASN A 98 12.305 2.501 -6.946 1.00 0.00 C ATOM 1067 CG ASN A 98 13.376 1.675 -6.241 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.064 0.673 -5.596 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.626 2.107 -6.332 1.00 0.00 N ATOM 0 H ASN A 98 10.505 -0.101 -6.660 1.00 0.00 H new ATOM 0 HA ASN A 98 10.914 1.723 -5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.444 2.458 -8.026 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.384 3.549 -6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.375 1.604 -5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.839 2.942 -6.878 1.00 0.00 H new ATOM 1075 N ARG A 99 8.719 2.570 -7.374 1.00 0.00 N ATOM 1076 CA ARG A 99 7.624 3.497 -7.622 1.00 0.00 C ATOM 1077 C ARG A 99 6.423 3.133 -6.763 1.00 0.00 C ATOM 1078 O ARG A 99 6.166 1.958 -6.499 1.00 0.00 O ATOM 1079 CB ARG A 99 7.211 3.472 -9.095 1.00 0.00 C ATOM 1080 CG ARG A 99 8.323 4.077 -9.948 1.00 0.00 C ATOM 1081 CD ARG A 99 7.897 4.080 -11.420 1.00 0.00 C ATOM 1082 NE ARG A 99 9.020 4.435 -12.277 1.00 0.00 N ATOM 1083 CZ ARG A 99 9.313 5.706 -12.536 1.00 0.00 C ATOM 1084 NH1 ARG A 99 8.582 6.659 -12.026 1.00 0.00 N ATOM 1085 NH2 ARG A 99 10.329 5.996 -13.303 1.00 0.00 N ATOM 0 H ARG A 99 8.541 1.608 -7.661 1.00 0.00 H new ATOM 0 HA ARG A 99 7.969 4.499 -7.367 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.013 2.448 -9.410 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.286 4.032 -9.234 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.536 5.094 -9.618 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.242 3.504 -9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.518 3.096 -11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.082 4.789 -11.567 1.00 0.00 H new ATOM 0 HE ARG A 99 9.592 3.696 -12.686 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.787 6.429 -11.430 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.805 7.634 -12.224 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.896 5.248 -13.702 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.555 6.970 -13.503 1.00 0.00 H new ATOM 1099 N THR A 100 5.683 4.146 -6.338 1.00 0.00 N ATOM 1100 CA THR A 100 4.504 3.912 -5.523 1.00 0.00 C ATOM 1101 C THR A 100 3.426 3.249 -6.378 1.00 0.00 C ATOM 1102 O THR A 100 2.628 2.453 -5.889 1.00 0.00 O ATOM 1103 CB THR A 100 3.995 5.242 -4.959 1.00 0.00 C ATOM 1104 OG1 THR A 100 5.067 5.922 -4.321 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.882 4.981 -3.939 1.00 0.00 C ATOM 0 H THR A 100 5.876 5.127 -6.542 1.00 0.00 H new ATOM 0 HA THR A 100 4.754 3.254 -4.691 1.00 0.00 H new ATOM 0 HB THR A 100 3.602 5.852 -5.772 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.745 6.775 -3.960 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.523 5.930 -3.541 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.059 4.457 -4.425 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.271 4.370 -3.125 1.00 0.00 H new ATOM 1113 N GLN A 101 3.433 3.577 -7.669 1.00 0.00 N ATOM 1114 CA GLN A 101 2.475 3.003 -8.608 1.00 0.00 C ATOM 1115 C GLN A 101 3.080 2.917 -10.008 1.00 0.00 C ATOM 1116 O GLN A 101 4.006 3.656 -10.344 1.00 0.00 O ATOM 1117 CB GLN A 101 1.200 3.845 -8.655 1.00 0.00 C ATOM 1118 CG GLN A 101 1.504 5.214 -9.262 1.00 0.00 C ATOM 1119 CD GLN A 101 0.991 5.286 -10.699 1.00 0.00 C ATOM 1120 OE1 GLN A 101 1.704 5.750 -11.592 1.00 0.00 O ATOM 1121 NE2 GLN A 101 -0.207 4.855 -10.979 1.00 0.00 N ATOM 0 H GLN A 101 4.090 4.236 -8.086 1.00 0.00 H new ATOM 0 HA GLN A 101 2.228 1.999 -8.264 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.439 3.336 -9.247 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.795 3.965 -7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.037 5.996 -8.663 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.578 5.397 -9.243 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -0.797 4.471 -10.240 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.555 4.901 -11.937 1.00 0.00 H new ATOM 1130 N CYS A 102 2.552 2.008 -10.819 1.00 0.00 N ATOM 1131 CA CYS A 102 3.054 1.837 -12.177 1.00 0.00 C ATOM 1132 C CYS A 102 1.968 1.302 -13.102 1.00 0.00 C ATOM 1133 O CYS A 102 1.299 0.316 -12.793 1.00 0.00 O ATOM 1134 CB CYS A 102 4.255 0.891 -12.167 1.00 0.00 C ATOM 1135 SG CYS A 102 3.739 -0.780 -12.631 1.00 0.00 S ATOM 0 H CYS A 102 1.786 1.385 -10.564 1.00 0.00 H new ATOM 0 HA CYS A 102 3.364 2.811 -12.555 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.016 1.250 -12.860 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.708 0.877 -11.176 1.00 0.00 H new ATOM 1140 N VAL A 103 1.803 1.963 -14.244 1.00 0.00 N ATOM 1141 CA VAL A 103 0.800 1.550 -15.219 1.00 0.00 C ATOM 1142 C VAL A 103 1.488 1.092 -16.498 1.00 0.00 C ATOM 1143 O VAL A 103 2.383 1.769 -17.010 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.148 2.716 -15.515 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.301 2.238 -16.402 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -0.708 3.249 -14.195 1.00 0.00 C ATOM 0 H VAL A 103 2.347 2.782 -14.516 1.00 0.00 H new ATOM 0 HA VAL A 103 0.220 0.721 -14.813 1.00 0.00 H new ATOM 0 HB VAL A 103 0.396 3.505 -16.034 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.971 3.072 -16.608 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.902 1.852 -17.340 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.851 1.449 -15.890 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.384 4.080 -14.396 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.251 2.455 -13.683 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.112 3.593 -13.564 1.00 0.00 H new ATOM 1156 N VAL A 104 1.083 -0.070 -16.999 1.00 0.00 N ATOM 1157 CA VAL A 104 1.684 -0.616 -18.210 1.00 0.00 C ATOM 1158 C VAL A 104 0.654 -1.382 -19.048 1.00 0.00 C ATOM 1159 O VAL A 104 -0.282 -1.979 -18.511 1.00 0.00 O ATOM 1160 CB VAL A 104 2.837 -1.550 -17.837 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.444 -2.130 -19.110 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.915 -0.768 -17.077 1.00 0.00 C ATOM 0 H VAL A 104 0.348 -0.647 -16.590 1.00 0.00 H new ATOM 0 HA VAL A 104 2.058 0.216 -18.807 1.00 0.00 H new ATOM 0 HB VAL A 104 2.460 -2.353 -17.204 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.266 -2.797 -18.850 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.683 -2.688 -19.654 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.818 -1.320 -19.737 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.733 -1.438 -16.814 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.293 0.037 -17.707 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.486 -0.346 -16.168 1.00 0.00 H new ATOM 1172 N VAL A 105 0.845 -1.363 -20.366 1.00 0.00 N ATOM 1173 CA VAL A 105 -0.062 -2.064 -21.277 1.00 0.00 C ATOM 1174 C VAL A 105 0.287 -3.548 -21.347 1.00 0.00 C ATOM 1175 O VAL A 105 1.393 -3.917 -21.732 1.00 0.00 O ATOM 1176 CB VAL A 105 0.019 -1.455 -22.677 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -0.909 -2.220 -23.624 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.416 0.008 -22.607 1.00 0.00 C ATOM 0 H VAL A 105 1.613 -0.874 -20.826 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.077 -1.957 -20.895 1.00 0.00 H new ATOM 0 HB VAL A 105 1.042 -1.519 -23.048 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.850 -1.785 -24.622 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.604 -3.266 -23.666 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.934 -2.155 -23.260 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.362 0.452 -23.601 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.440 0.066 -22.239 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.243 0.552 -21.931 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.662 -4.393 -20.949 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.438 -5.832 -20.951 1.00 0.00 C ATOM 1190 C ALA A 106 -0.411 -6.405 -22.361 1.00 0.00 C ATOM 1191 O ALA A 106 -0.926 -7.497 -22.595 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.538 -6.537 -20.156 1.00 0.00 C ATOM 0 H ALA A 106 -1.585 -4.107 -20.624 1.00 0.00 H new ATOM 0 HA ALA A 106 0.535 -6.003 -20.490 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.361 -7.612 -20.164 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.532 -6.176 -19.128 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.507 -6.326 -20.609 1.00 0.00 H new ATOM 1198 N GLY A 107 0.167 -5.680 -23.307 1.00 0.00 N ATOM 1199 CA GLY A 107 0.226 -6.175 -24.673 1.00 0.00 C ATOM 1200 C GLY A 107 0.946 -5.191 -25.583 1.00 0.00 C ATOM 1201 O GLY A 107 2.120 -4.887 -25.378 1.00 0.00 O ATOM 0 H GLY A 107 0.594 -4.765 -23.159 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.740 -7.136 -24.693 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.784 -6.346 -25.045 1.00 0.00 H new ATOM 1205 N SER A 108 0.218 -4.703 -26.581 1.00 0.00 N ATOM 1206 CA SER A 108 0.758 -3.748 -27.542 1.00 0.00 C ATOM 1207 C SER A 108 2.278 -3.851 -27.652 1.00 0.00 C ATOM 1208 O SER A 108 2.869 -4.896 -27.376 1.00 0.00 O ATOM 1209 CB SER A 108 0.362 -2.328 -27.138 1.00 0.00 C ATOM 1210 OG SER A 108 0.515 -1.461 -28.254 1.00 0.00 O ATOM 0 H SER A 108 -0.756 -4.956 -26.746 1.00 0.00 H new ATOM 0 HA SER A 108 0.338 -3.985 -28.519 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.671 -2.312 -26.789 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.983 -1.987 -26.310 1.00 0.00 H new ATOM 0 HG SER A 108 0.669 -1.993 -29.063 1.00 0.00 H new ATOM 1216 N ASP A 109 2.906 -2.771 -28.100 1.00 0.00 N ATOM 1217 CA ASP A 109 4.350 -2.759 -28.280 1.00 0.00 C ATOM 1218 C ASP A 109 5.070 -2.795 -26.939 1.00 0.00 C ATOM 1219 O ASP A 109 6.299 -2.734 -26.887 1.00 0.00 O ATOM 1220 CB ASP A 109 4.768 -1.513 -29.059 1.00 0.00 C ATOM 1221 CG ASP A 109 4.084 -1.516 -30.420 1.00 0.00 C ATOM 1222 OD1 ASP A 109 4.087 -2.554 -31.061 1.00 0.00 O ATOM 1223 OD2 ASP A 109 3.566 -0.481 -30.802 1.00 0.00 O ATOM 0 H ASP A 109 2.440 -1.897 -28.344 1.00 0.00 H new ATOM 0 HA ASP A 109 4.629 -3.650 -28.842 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.495 -0.615 -28.504 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.851 -1.494 -29.184 1.00 0.00 H new ATOM 1228 N ALA A 110 4.310 -2.886 -25.857 1.00 0.00 N ATOM 1229 CA ALA A 110 4.916 -2.921 -24.535 1.00 0.00 C ATOM 1230 C ALA A 110 5.350 -4.344 -24.181 1.00 0.00 C ATOM 1231 O ALA A 110 6.120 -4.547 -23.243 1.00 0.00 O ATOM 1232 CB ALA A 110 3.917 -2.413 -23.494 1.00 0.00 C ATOM 0 H ALA A 110 3.291 -2.936 -25.867 1.00 0.00 H new ATOM 0 HA ALA A 110 5.796 -2.278 -24.539 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.376 -2.441 -22.506 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.632 -1.388 -23.733 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.030 -3.047 -23.501 1.00 0.00 H new ATOM 1238 N PHE A 111 4.864 -5.326 -24.942 1.00 0.00 N ATOM 1239 CA PHE A 111 5.226 -6.722 -24.693 1.00 0.00 C ATOM 1240 C PHE A 111 5.338 -7.514 -26.003 1.00 0.00 C ATOM 1241 O PHE A 111 4.424 -7.487 -26.824 1.00 0.00 O ATOM 1242 CB PHE A 111 4.164 -7.385 -23.820 1.00 0.00 C ATOM 1243 CG PHE A 111 4.313 -6.914 -22.395 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.359 -7.401 -21.601 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.399 -5.997 -21.869 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.489 -6.964 -20.277 1.00 0.00 C ATOM 1247 CE2 PHE A 111 3.527 -5.561 -20.547 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.573 -6.045 -19.750 1.00 0.00 C ATOM 0 H PHE A 111 4.227 -5.184 -25.726 1.00 0.00 H new ATOM 0 HA PHE A 111 6.193 -6.726 -24.191 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.169 -7.141 -24.192 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.265 -8.469 -23.868 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.063 -8.111 -22.009 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.593 -5.625 -22.484 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.296 -7.336 -19.662 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.821 -4.852 -20.141 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.673 -5.709 -18.728 1.00 0.00 H new ATOM 1258 N PRO A 112 6.419 -8.236 -26.200 1.00 0.00 N ATOM 1259 CA PRO A 112 6.605 -9.060 -27.428 1.00 0.00 C ATOM 1260 C PRO A 112 5.412 -9.974 -27.691 1.00 0.00 C ATOM 1261 O PRO A 112 4.263 -9.621 -27.417 1.00 0.00 O ATOM 1262 CB PRO A 112 7.856 -9.898 -27.153 1.00 0.00 C ATOM 1263 CG PRO A 112 8.563 -9.254 -26.006 1.00 0.00 C ATOM 1264 CD PRO A 112 7.569 -8.338 -25.289 1.00 0.00 C ATOM 0 HA PRO A 112 6.700 -8.429 -28.312 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.587 -10.927 -26.913 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.499 -9.933 -28.033 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.945 -10.011 -25.321 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.421 -8.682 -26.360 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.274 -8.754 -24.326 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.005 -7.359 -25.093 1.00 0.00 H new ATOM 1272 N ASP A 113 5.708 -11.147 -28.231 1.00 0.00 N ATOM 1273 CA ASP A 113 4.681 -12.129 -28.548 1.00 0.00 C ATOM 1274 C ASP A 113 5.227 -13.533 -28.311 1.00 0.00 C ATOM 1275 O ASP A 113 5.762 -14.160 -29.227 1.00 0.00 O ATOM 1276 CB ASP A 113 4.280 -11.992 -30.014 1.00 0.00 C ATOM 1277 CG ASP A 113 2.959 -12.707 -30.263 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.527 -13.434 -29.384 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.399 -12.521 -31.331 1.00 0.00 O ATOM 0 H ASP A 113 6.657 -11.443 -28.460 1.00 0.00 H new ATOM 0 HA ASP A 113 3.813 -11.959 -27.911 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.188 -10.938 -30.277 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.057 -12.413 -30.653 1.00 0.00 H new ATOM 1284 N PRO A 114 5.129 -14.026 -27.103 1.00 0.00 N ATOM 1285 CA PRO A 114 5.654 -15.377 -26.746 1.00 0.00 C ATOM 1286 C PRO A 114 4.769 -16.503 -27.256 1.00 0.00 C ATOM 1287 O PRO A 114 5.102 -17.681 -27.112 1.00 0.00 O ATOM 1288 CB PRO A 114 5.673 -15.366 -25.223 1.00 0.00 C ATOM 1289 CG PRO A 114 4.625 -14.381 -24.818 1.00 0.00 C ATOM 1290 CD PRO A 114 4.508 -13.357 -25.949 1.00 0.00 C ATOM 0 HA PRO A 114 6.630 -15.559 -27.196 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.458 -16.356 -24.821 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.653 -15.074 -24.845 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.671 -14.881 -24.651 1.00 0.00 H new ATOM 0 HG3 PRO A 114 4.897 -13.892 -23.883 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.468 -13.101 -26.149 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.023 -12.429 -25.701 1.00 0.00 H new ATOM 1298 N CYS A 115 3.635 -16.139 -27.836 1.00 0.00 N ATOM 1299 CA CYS A 115 2.706 -17.142 -28.344 1.00 0.00 C ATOM 1300 C CYS A 115 1.597 -16.508 -29.189 1.00 0.00 C ATOM 1301 O CYS A 115 0.439 -16.423 -28.767 1.00 0.00 O ATOM 1302 CB CYS A 115 2.096 -17.904 -27.170 1.00 0.00 C ATOM 1303 SG CYS A 115 1.776 -16.751 -25.817 1.00 0.00 S ATOM 0 H CYS A 115 3.337 -15.172 -27.966 1.00 0.00 H new ATOM 0 HA CYS A 115 3.259 -17.827 -28.987 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.169 -18.389 -27.477 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.774 -18.691 -26.840 1.00 0.00 H new ATOM 1308 N PRO A 116 1.929 -16.088 -30.378 1.00 0.00 N ATOM 1309 CA PRO A 116 0.948 -15.476 -31.318 1.00 0.00 C ATOM 1310 C PRO A 116 -0.266 -16.372 -31.523 1.00 0.00 C ATOM 1311 O PRO A 116 -0.153 -17.597 -31.501 1.00 0.00 O ATOM 1312 CB PRO A 116 1.722 -15.341 -32.631 1.00 0.00 C ATOM 1313 CG PRO A 116 3.165 -15.350 -32.256 1.00 0.00 C ATOM 1314 CD PRO A 116 3.281 -16.148 -30.957 1.00 0.00 C ATOM 0 HA PRO A 116 0.566 -14.527 -30.941 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.489 -16.163 -33.308 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.458 -14.418 -33.147 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.766 -15.805 -33.044 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.535 -14.334 -32.119 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.588 -17.176 -31.147 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.022 -15.713 -30.286 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.420 -15.762 -31.750 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.636 -16.525 -31.985 1.00 0.00 C ATOM 1324 C GLY A 117 -3.210 -17.102 -30.694 1.00 0.00 C ATOM 1325 O GLY A 117 -4.225 -17.799 -30.724 1.00 0.00 O ATOM 0 H GLY A 117 -1.540 -14.749 -31.776 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.380 -15.884 -32.457 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.426 -17.336 -32.682 1.00 0.00 H new ATOM 1329 N THR A 118 -2.584 -16.802 -29.558 1.00 0.00 N ATOM 1330 CA THR A 118 -3.096 -17.293 -28.282 1.00 0.00 C ATOM 1331 C THR A 118 -3.453 -16.095 -27.401 1.00 0.00 C ATOM 1332 O THR A 118 -2.787 -15.061 -27.469 1.00 0.00 O ATOM 1333 CB THR A 118 -2.051 -18.186 -27.594 1.00 0.00 C ATOM 1334 OG1 THR A 118 -1.610 -19.180 -28.510 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.681 -18.867 -26.376 1.00 0.00 C ATOM 0 H THR A 118 -1.739 -16.234 -29.494 1.00 0.00 H new ATOM 0 HA THR A 118 -3.988 -17.896 -28.450 1.00 0.00 H new ATOM 0 HB THR A 118 -1.206 -17.577 -27.273 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.942 -19.751 -28.076 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.939 -19.500 -25.889 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.028 -18.109 -25.674 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.525 -19.478 -26.697 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.486 -16.231 -26.569 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.872 -15.130 -25.689 1.00 0.00 C ATOM 1345 C TYR A 119 -3.985 -15.166 -24.454 1.00 0.00 C ATOM 1346 O TYR A 119 -4.068 -16.088 -23.643 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.348 -15.256 -25.285 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.817 -13.965 -24.647 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.408 -13.619 -23.351 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -7.662 -13.106 -25.363 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -6.844 -12.415 -22.778 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -8.095 -11.907 -24.791 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.690 -11.559 -23.502 1.00 0.00 C ATOM 1354 OH TYR A 119 -8.119 -10.371 -22.949 1.00 0.00 O ATOM 0 H TYR A 119 -5.058 -17.072 -26.486 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.746 -14.181 -26.211 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.956 -15.482 -26.161 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.474 -16.084 -24.587 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -5.758 -14.278 -22.795 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.980 -13.372 -26.360 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.529 -12.146 -21.780 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -8.745 -11.248 -25.348 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.477 -9.661 -23.160 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.093 -14.193 -24.359 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.132 -14.150 -23.268 1.00 0.00 C ATOM 1366 C LYS A 120 -2.644 -13.425 -22.023 1.00 0.00 C ATOM 1367 O LYS A 120 -3.827 -13.122 -21.874 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.849 -13.477 -23.766 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.340 -14.213 -25.010 1.00 0.00 C ATOM 1370 CD LYS A 120 0.916 -13.520 -25.547 1.00 0.00 C ATOM 1371 CE LYS A 120 0.509 -12.375 -26.476 1.00 0.00 C ATOM 1372 NZ LYS A 120 -0.296 -12.911 -27.611 1.00 0.00 N ATOM 0 H LYS A 120 -3.014 -13.423 -25.023 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.948 -15.180 -22.964 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.042 -12.431 -24.002 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.090 -13.493 -22.984 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.116 -15.251 -24.763 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.114 -14.228 -25.777 1.00 0.00 H new ATOM 0 HD2 LYS A 120 1.514 -13.137 -24.720 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.537 -14.236 -26.085 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -0.070 -11.635 -25.924 1.00 0.00 H new ATOM 0 HE3 LYS A 120 1.397 -11.868 -26.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 0.148 -12.638 -28.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -0.339 -13.948 -27.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -1.259 -12.521 -27.568 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.680 -13.119 -21.168 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.930 -12.387 -19.938 1.00 0.00 C ATOM 1388 C TYR A 121 -0.627 -11.977 -19.273 1.00 0.00 C ATOM 1389 O TYR A 121 0.455 -12.391 -19.685 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.824 -13.186 -18.972 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.107 -14.376 -18.364 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.082 -14.187 -17.424 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.506 -15.675 -18.708 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.453 -15.297 -16.841 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -1.884 -16.784 -18.120 1.00 0.00 C ATOM 1396 CZ TYR A 121 -0.855 -16.595 -17.187 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.240 -17.686 -16.599 1.00 0.00 O ATOM 0 H TYR A 121 -0.702 -13.372 -21.309 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.472 -11.479 -20.202 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.170 -12.528 -18.174 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.709 -13.533 -19.505 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.778 -13.188 -17.150 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.296 -15.821 -19.429 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.342 -15.152 -16.125 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.197 -17.783 -18.385 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.795 -18.483 -16.727 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.745 -11.151 -18.243 1.00 0.00 N ATOM 1408 CA LEU A 122 0.426 -10.684 -17.519 1.00 0.00 C ATOM 1409 C LEU A 122 0.233 -10.889 -16.024 1.00 0.00 C ATOM 1410 O LEU A 122 -0.700 -10.351 -15.428 1.00 0.00 O ATOM 1411 CB LEU A 122 0.656 -9.198 -17.812 1.00 0.00 C ATOM 1412 CG LEU A 122 1.863 -8.693 -17.016 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.155 -9.231 -17.634 1.00 0.00 C ATOM 1414 CD2 LEU A 122 1.882 -7.162 -17.040 1.00 0.00 C ATOM 0 H LEU A 122 -1.634 -10.793 -17.893 1.00 0.00 H new ATOM 0 HA LEU A 122 1.295 -11.255 -17.845 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.825 -9.050 -18.879 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.232 -8.624 -17.547 1.00 0.00 H new ATOM 0 HG LEU A 122 1.788 -9.042 -15.986 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.010 -8.868 -17.063 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.142 -10.321 -17.614 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.235 -8.888 -18.665 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.740 -6.800 -16.474 1.00 0.00 H new ATOM 0 HD22 LEU A 122 1.955 -6.815 -18.071 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.965 -6.780 -16.592 1.00 0.00 H new ATOM 1426 N GLU A 123 1.131 -11.664 -15.425 1.00 0.00 N ATOM 1427 CA GLU A 123 1.069 -11.939 -13.996 1.00 0.00 C ATOM 1428 C GLU A 123 2.271 -11.325 -13.302 1.00 0.00 C ATOM 1429 O GLU A 123 3.411 -11.572 -13.696 1.00 0.00 O ATOM 1430 CB GLU A 123 1.083 -13.446 -13.751 1.00 0.00 C ATOM 1431 CG GLU A 123 1.513 -13.720 -12.310 1.00 0.00 C ATOM 1432 CD GLU A 123 3.010 -14.014 -12.260 1.00 0.00 C ATOM 1433 OE1 GLU A 123 3.404 -15.065 -12.737 1.00 0.00 O ATOM 1434 OE2 GLU A 123 3.741 -13.184 -11.746 1.00 0.00 O ATOM 0 H GLU A 123 1.910 -12.112 -15.908 1.00 0.00 H new ATOM 0 HA GLU A 123 0.149 -11.510 -13.600 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.093 -13.865 -13.933 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.768 -13.933 -14.446 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.282 -12.859 -11.683 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.954 -14.566 -11.909 1.00 0.00 H new ATOM 1441 N VAL A 124 2.026 -10.504 -12.285 1.00 0.00 N ATOM 1442 CA VAL A 124 3.141 -9.861 -11.594 1.00 0.00 C ATOM 1443 C VAL A 124 3.011 -9.923 -10.072 1.00 0.00 C ATOM 1444 O VAL A 124 2.037 -9.437 -9.495 1.00 0.00 O ATOM 1445 CB VAL A 124 3.231 -8.397 -12.029 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.473 -7.745 -11.415 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.328 -8.322 -13.553 1.00 0.00 C ATOM 0 H VAL A 124 1.098 -10.273 -11.929 1.00 0.00 H new ATOM 0 HA VAL A 124 4.045 -10.406 -11.867 1.00 0.00 H new ATOM 0 HB VAL A 124 2.340 -7.870 -11.689 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.530 -6.703 -11.729 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.409 -7.793 -10.328 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.365 -8.274 -11.750 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.392 -7.279 -13.863 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.218 -8.855 -13.888 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.443 -8.778 -13.997 1.00 0.00 H new ATOM 1457 N GLN A 125 4.023 -10.507 -9.427 1.00 0.00 N ATOM 1458 CA GLN A 125 4.043 -10.610 -7.971 1.00 0.00 C ATOM 1459 C GLN A 125 5.055 -9.612 -7.406 1.00 0.00 C ATOM 1460 O GLN A 125 6.210 -9.586 -7.837 1.00 0.00 O ATOM 1461 CB GLN A 125 4.420 -12.043 -7.564 1.00 0.00 C ATOM 1462 CG GLN A 125 3.245 -12.978 -7.867 1.00 0.00 C ATOM 1463 CD GLN A 125 3.717 -14.215 -8.626 1.00 0.00 C ATOM 1464 OE1 GLN A 125 3.161 -14.510 -9.772 1.00 0.00 O flip ATOM 1465 NE2 GLN A 125 4.609 -14.929 -8.166 1.00 0.00 N flip ATOM 0 H GLN A 125 4.836 -10.914 -9.890 1.00 0.00 H new ATOM 0 HA GLN A 125 3.056 -10.379 -7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.308 -12.367 -8.108 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.665 -12.080 -6.503 1.00 0.00 H new ATOM 0 HG2 GLN A 125 2.765 -13.279 -6.936 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.496 -12.449 -8.456 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.040 -14.695 -7.272 1.00 0.00 H new ATOM 0 HE22 GLN A 125 4.917 -15.755 -8.680 1.00 0.00 H new ATOM 1474 N TYR A 126 4.621 -8.776 -6.456 1.00 0.00 N ATOM 1475 CA TYR A 126 5.517 -7.773 -5.876 1.00 0.00 C ATOM 1476 C TYR A 126 5.156 -7.459 -4.431 1.00 0.00 C ATOM 1477 O TYR A 126 4.092 -7.846 -3.940 1.00 0.00 O ATOM 1478 CB TYR A 126 5.467 -6.481 -6.698 1.00 0.00 C ATOM 1479 CG TYR A 126 4.169 -5.753 -6.440 1.00 0.00 C ATOM 1480 CD1 TYR A 126 3.025 -6.091 -7.174 1.00 0.00 C ATOM 1481 CD2 TYR A 126 4.111 -4.737 -5.480 1.00 0.00 C ATOM 1482 CE1 TYR A 126 1.823 -5.411 -6.948 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.908 -4.060 -5.251 1.00 0.00 C ATOM 1484 CZ TYR A 126 1.764 -4.397 -5.985 1.00 0.00 C ATOM 1485 OH TYR A 126 0.579 -3.722 -5.764 1.00 0.00 O ATOM 0 H TYR A 126 3.673 -8.773 -6.079 1.00 0.00 H new ATOM 0 HA TYR A 126 6.524 -8.190 -5.895 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.310 -5.841 -6.437 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.559 -6.712 -7.759 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.071 -6.876 -7.914 1.00 0.00 H new ATOM 0 HD2 TYR A 126 4.994 -4.475 -4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 126 0.941 -5.668 -7.516 1.00 0.00 H new ATOM 0 HE2 TYR A 126 2.862 -3.277 -4.508 1.00 0.00 H new ATOM 0 HH TYR A 126 0.762 -2.888 -5.282 1.00 0.00 H new ATOM 1495 N ASP A 127 6.059 -6.748 -3.760 1.00 0.00 N ATOM 1496 CA ASP A 127 5.857 -6.367 -2.364 1.00 0.00 C ATOM 1497 C ASP A 127 5.987 -4.853 -2.209 1.00 0.00 C ATOM 1498 O ASP A 127 6.580 -4.186 -3.056 1.00 0.00 O ATOM 1499 CB ASP A 127 6.913 -7.042 -1.481 1.00 0.00 C ATOM 1500 CG ASP A 127 7.062 -8.516 -1.844 1.00 0.00 C ATOM 1501 OD1 ASP A 127 6.669 -8.882 -2.941 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.583 -9.256 -1.025 1.00 0.00 O ATOM 0 H ASP A 127 6.939 -6.424 -4.161 1.00 0.00 H new ATOM 0 HA ASP A 127 4.860 -6.684 -2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 127 7.871 -6.535 -1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.631 -6.948 -0.432 1.00 0.00 H new ATOM 1507 N CYS A 128 5.442 -4.314 -1.122 1.00 0.00 N ATOM 1508 CA CYS A 128 5.529 -2.882 -0.872 1.00 0.00 C ATOM 1509 C CYS A 128 6.447 -2.616 0.318 1.00 0.00 C ATOM 1510 O CYS A 128 6.210 -3.118 1.419 1.00 0.00 O ATOM 1511 CB CYS A 128 4.136 -2.312 -0.596 1.00 0.00 C ATOM 1512 SG CYS A 128 3.137 -2.420 -2.102 1.00 0.00 S ATOM 0 H CYS A 128 4.941 -4.842 -0.408 1.00 0.00 H new ATOM 0 HA CYS A 128 5.942 -2.393 -1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.658 -2.865 0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.213 -1.275 -0.270 1.00 0.00 H new ATOM 1517 N VAL A 129 7.495 -1.830 0.091 1.00 0.00 N ATOM 1518 CA VAL A 129 8.437 -1.523 1.163 1.00 0.00 C ATOM 1519 C VAL A 129 8.556 -0.011 1.378 1.00 0.00 C ATOM 1520 O VAL A 129 8.290 0.771 0.467 1.00 0.00 O ATOM 1521 CB VAL A 129 9.814 -2.108 0.842 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.645 -3.492 0.213 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.554 -1.194 -0.137 1.00 0.00 C ATOM 0 H VAL A 129 7.712 -1.401 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 129 8.058 -1.973 2.080 1.00 0.00 H new ATOM 0 HB VAL A 129 10.391 -2.190 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.625 -3.910 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.125 -4.148 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.064 -3.406 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.533 -1.617 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.978 -1.105 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.678 -0.207 0.309 1.00 0.00 H new ATOM 1533 N PRO A 130 8.961 0.412 2.556 1.00 0.00 N ATOM 1534 CA PRO A 130 9.127 1.862 2.866 1.00 0.00 C ATOM 1535 C PRO A 130 10.195 2.513 1.987 1.00 0.00 C ATOM 1536 O PRO A 130 11.204 1.888 1.663 1.00 0.00 O ATOM 1537 CB PRO A 130 9.561 1.906 4.338 1.00 0.00 C ATOM 1538 CG PRO A 130 9.390 0.527 4.888 1.00 0.00 C ATOM 1539 CD PRO A 130 9.304 -0.439 3.709 1.00 0.00 C ATOM 0 HA PRO A 130 8.204 2.411 2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.598 2.229 4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 130 8.957 2.621 4.896 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.228 0.267 5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.488 0.468 5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.250 -0.958 3.552 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.545 -1.203 3.877 1.00 0.00 H new