USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 668 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 60 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.83) USER MOD Set 1.2: A 129 GLN : amide:sc= 0 X(o=-1.7,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ -118:sc= -0.192 (180deg=-1.5!) USER MOD Single : A 64 ASN : amide:sc= -1.63! C(o=-1.6!,f=-1.2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0046) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0142) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= -4.14! C(o=-4.1!,f=-4.6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= -3.12! USER MOD Single : A 101 THR OG1 : rot 101:sc= 0.0125 USER MOD Single : A 102 TYR OH : rot 3:sc= -0.927 USER MOD Single : A 103 CYS SG : rot 180:sc= -1.4 USER MOD Single : A 107 SER OG : rot 170:sc= -0.82 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -3.67! C(o=-3.7!,f=-2.7!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0.0877 K(o=0.088,f=-2.7!) USER MOD Single : A 118 GLN : amide:sc= -4.2! C(o=-4.2!,f=-4.7!) USER MOD Single : A 119 LYS NZ :NH3+ 138:sc= -3.19! (180deg=-4.93!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 172:sc= 0 (180deg=-0.0457) USER MOD Single : A 125 ASN : amide:sc= -0.185 K(o=-0.18,f=-5.8!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 156 N ILE A 54 1.857 10.984 -3.955 1.00 0.00 N ATOM 157 CA ILE A 54 2.949 10.094 -4.327 1.00 0.00 C ATOM 158 C ILE A 54 2.477 8.645 -4.398 1.00 0.00 C ATOM 159 O ILE A 54 1.730 8.181 -3.537 1.00 0.00 O ATOM 160 CB ILE A 54 4.121 10.192 -3.333 1.00 0.00 C ATOM 161 CG1 ILE A 54 4.777 11.571 -3.419 1.00 0.00 C ATOM 162 CG2 ILE A 54 5.141 9.096 -3.606 1.00 0.00 C ATOM 163 CD1 ILE A 54 5.847 11.798 -2.374 1.00 0.00 C ATOM 0 HA ILE A 54 3.292 10.411 -5.312 1.00 0.00 H new ATOM 0 HB ILE A 54 3.734 10.057 -2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.216 11.694 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.009 12.337 -3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.963 9.179 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.665 8.121 -3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.526 9.202 -4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.268 12.796 -2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.410 11.707 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.635 11.055 -2.493 1.00 0.00 H new ATOM 175 N LYS A 55 2.920 7.934 -5.430 1.00 0.00 N ATOM 176 CA LYS A 55 2.546 6.537 -5.613 1.00 0.00 C ATOM 177 C LYS A 55 3.678 5.610 -5.180 1.00 0.00 C ATOM 178 O LYS A 55 4.800 5.710 -5.677 1.00 0.00 O ATOM 179 CB LYS A 55 2.187 6.271 -7.077 1.00 0.00 C ATOM 180 CG LYS A 55 3.398 6.102 -7.979 1.00 0.00 C ATOM 181 CD LYS A 55 2.989 5.920 -9.431 1.00 0.00 C ATOM 182 CE LYS A 55 2.662 7.252 -10.089 1.00 0.00 C ATOM 183 NZ LYS A 55 1.219 7.595 -9.960 1.00 0.00 N ATOM 0 H LYS A 55 3.539 8.303 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 55 1.675 6.335 -4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.573 5.372 -7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.579 7.096 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.045 6.975 -7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.979 5.239 -7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.795 5.431 -9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.121 5.263 -9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.264 8.039 -9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.933 7.212 -11.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.791 7.658 -10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.735 6.857 -9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.122 8.509 -9.474 1.00 0.00 H new ATOM 197 N LEU A 56 3.375 4.708 -4.253 1.00 0.00 N ATOM 198 CA LEU A 56 4.367 3.762 -3.754 1.00 0.00 C ATOM 199 C LEU A 56 4.310 2.452 -4.533 1.00 0.00 C ATOM 200 O LEU A 56 3.273 1.789 -4.580 1.00 0.00 O ATOM 201 CB LEU A 56 4.140 3.493 -2.265 1.00 0.00 C ATOM 202 CG LEU A 56 4.562 4.609 -1.309 1.00 0.00 C ATOM 203 CD1 LEU A 56 4.118 4.292 0.110 1.00 0.00 C ATOM 204 CD2 LEU A 56 6.068 4.819 -1.365 1.00 0.00 C ATOM 0 H LEU A 56 2.451 4.612 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 56 5.355 4.203 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.080 3.291 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.680 2.586 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 56 4.075 5.533 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.427 5.097 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.033 4.194 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.575 3.357 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.350 5.617 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.575 3.898 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.360 5.093 -2.379 1.00 0.00 H new ATOM 216 N PHE A 57 5.432 2.083 -5.143 1.00 0.00 N ATOM 217 CA PHE A 57 5.510 0.852 -5.920 1.00 0.00 C ATOM 218 C PHE A 57 5.887 -0.330 -5.030 1.00 0.00 C ATOM 219 O PHE A 57 6.856 -0.266 -4.273 1.00 0.00 O ATOM 220 CB PHE A 57 6.532 1.000 -7.049 1.00 0.00 C ATOM 221 CG PHE A 57 7.169 -0.298 -7.456 1.00 0.00 C ATOM 222 CD1 PHE A 57 8.254 -0.801 -6.757 1.00 0.00 C ATOM 223 CD2 PHE A 57 6.682 -1.016 -8.536 1.00 0.00 C ATOM 224 CE1 PHE A 57 8.843 -1.995 -7.130 1.00 0.00 C ATOM 225 CE2 PHE A 57 7.266 -2.210 -8.913 1.00 0.00 C ATOM 226 CZ PHE A 57 8.347 -2.701 -8.208 1.00 0.00 C ATOM 0 H PHE A 57 6.299 2.619 -5.114 1.00 0.00 H new ATOM 0 HA PHE A 57 4.527 0.661 -6.351 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.042 1.442 -7.916 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.311 1.695 -6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.644 -0.254 -5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.836 -0.638 -9.090 1.00 0.00 H new ATOM 0 HE1 PHE A 57 9.690 -2.375 -6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.877 -2.759 -9.758 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.804 -3.635 -8.499 1.00 0.00 H new ATOM 236 N ILE A 58 5.113 -1.406 -5.127 1.00 0.00 N ATOM 237 CA ILE A 58 5.366 -2.601 -4.332 1.00 0.00 C ATOM 238 C ILE A 58 5.800 -3.767 -5.215 1.00 0.00 C ATOM 239 O ILE A 58 5.214 -4.013 -6.268 1.00 0.00 O ATOM 240 CB ILE A 58 4.119 -3.017 -3.529 1.00 0.00 C ATOM 241 CG1 ILE A 58 3.495 -1.798 -2.847 1.00 0.00 C ATOM 242 CG2 ILE A 58 4.480 -4.079 -2.502 1.00 0.00 C ATOM 243 CD1 ILE A 58 4.408 -1.136 -1.839 1.00 0.00 C ATOM 0 H ILE A 58 4.306 -1.474 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 58 6.170 -2.354 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 58 3.386 -3.440 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.218 -1.068 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.575 -2.103 -2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.588 -4.362 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.883 -4.955 -3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.228 -3.682 -1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.900 -0.280 -1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.665 -1.850 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.317 -0.800 -2.337 1.00 0.00 H new ATOM 255 N GLY A 59 6.831 -4.482 -4.775 1.00 0.00 N ATOM 256 CA GLY A 59 7.326 -5.615 -5.536 1.00 0.00 C ATOM 257 C GLY A 59 7.419 -6.877 -4.702 1.00 0.00 C ATOM 258 O GLY A 59 7.101 -6.867 -3.514 1.00 0.00 O ATOM 0 H GLY A 59 7.332 -4.297 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.668 -5.793 -6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.310 -5.376 -5.939 1.00 0.00 H new ATOM 262 N GLN A 60 7.854 -7.966 -5.327 1.00 0.00 N ATOM 263 CA GLN A 60 7.986 -9.243 -4.635 1.00 0.00 C ATOM 264 C GLN A 60 6.640 -9.706 -4.088 1.00 0.00 C ATOM 265 O GLN A 60 6.504 -9.978 -2.895 1.00 0.00 O ATOM 266 CB GLN A 60 9.000 -9.127 -3.495 1.00 0.00 C ATOM 267 CG GLN A 60 10.446 -9.196 -3.958 1.00 0.00 C ATOM 268 CD GLN A 60 10.819 -8.052 -4.880 1.00 0.00 C ATOM 269 OE1 GLN A 60 11.182 -8.265 -6.037 1.00 0.00 O ATOM 270 NE2 GLN A 60 10.732 -6.829 -4.371 1.00 0.00 N ATOM 0 H GLN A 60 8.121 -7.990 -6.311 1.00 0.00 H new ATOM 0 HA GLN A 60 8.340 -9.982 -5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.839 -8.185 -2.971 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.819 -9.926 -2.776 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.103 -9.185 -3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.614 -10.142 -4.473 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.426 -6.699 -3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.971 -6.020 -4.944 1.00 0.00 H new ATOM 279 N ILE A 61 5.648 -9.794 -4.968 1.00 0.00 N ATOM 280 CA ILE A 61 4.313 -10.225 -4.573 1.00 0.00 C ATOM 281 C ILE A 61 3.775 -11.290 -5.524 1.00 0.00 C ATOM 282 O ILE A 61 3.742 -11.110 -6.741 1.00 0.00 O ATOM 283 CB ILE A 61 3.327 -9.042 -4.535 1.00 0.00 C ATOM 284 CG1 ILE A 61 3.768 -8.017 -3.488 1.00 0.00 C ATOM 285 CG2 ILE A 61 1.919 -9.536 -4.241 1.00 0.00 C ATOM 286 CD1 ILE A 61 2.863 -6.807 -3.410 1.00 0.00 C ATOM 0 H ILE A 61 5.744 -9.573 -5.959 1.00 0.00 H new ATOM 0 HA ILE A 61 4.401 -10.646 -3.572 1.00 0.00 H new ATOM 0 HB ILE A 61 3.324 -8.558 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.802 -8.499 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.782 -7.689 -3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.234 -8.689 -4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.608 -10.233 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.905 -10.041 -3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.235 -6.123 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.848 -6.301 -4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.853 -7.124 -3.151 1.00 0.00 H new ATOM 298 N PRO A 62 3.342 -12.425 -4.957 1.00 0.00 N ATOM 299 CA PRO A 62 2.796 -13.541 -5.735 1.00 0.00 C ATOM 300 C PRO A 62 1.437 -13.212 -6.344 1.00 0.00 C ATOM 301 O PRO A 62 0.681 -12.407 -5.800 1.00 0.00 O ATOM 302 CB PRO A 62 2.662 -14.662 -4.702 1.00 0.00 C ATOM 303 CG PRO A 62 2.527 -13.959 -3.395 1.00 0.00 C ATOM 304 CD PRO A 62 3.353 -12.708 -3.511 1.00 0.00 C ATOM 0 HA PRO A 62 3.432 -13.798 -6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.793 -15.287 -4.907 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.534 -15.316 -4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.484 -13.720 -3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.881 -14.586 -2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.922 -11.887 -2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.366 -12.859 -3.139 1.00 0.00 H new ATOM 312 N ARG A 63 1.134 -13.839 -7.476 1.00 0.00 N ATOM 313 CA ARG A 63 -0.134 -13.612 -8.159 1.00 0.00 C ATOM 314 C ARG A 63 -1.258 -14.402 -7.496 1.00 0.00 C ATOM 315 O ARG A 63 -2.085 -15.011 -8.173 1.00 0.00 O ATOM 316 CB ARG A 63 -0.021 -14.004 -9.633 1.00 0.00 C ATOM 317 CG ARG A 63 0.325 -15.469 -9.849 1.00 0.00 C ATOM 318 CD ARG A 63 0.790 -15.728 -11.273 1.00 0.00 C ATOM 319 NE ARG A 63 2.081 -15.103 -11.549 1.00 0.00 N ATOM 320 CZ ARG A 63 3.244 -15.621 -11.169 1.00 0.00 C ATOM 321 NH1 ARG A 63 3.277 -16.765 -10.501 1.00 0.00 N ATOM 322 NH2 ARG A 63 4.377 -14.993 -11.458 1.00 0.00 N ATOM 0 H ARG A 63 1.749 -14.508 -7.939 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.370 -12.550 -8.090 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.965 -13.785 -10.132 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.741 -13.386 -10.107 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.107 -15.766 -9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.547 -16.086 -9.632 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.864 -16.803 -11.440 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.046 -15.347 -11.972 1.00 0.00 H new ATOM 0 HE ARG A 63 2.090 -14.221 -12.061 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.408 -17.250 -10.277 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.171 -17.160 -10.211 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.355 -14.112 -11.972 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.270 -15.391 -11.166 1.00 0.00 H new ATOM 336 N ASN A 64 -1.281 -14.388 -6.167 1.00 0.00 N ATOM 337 CA ASN A 64 -2.302 -15.104 -5.412 1.00 0.00 C ATOM 338 C ASN A 64 -3.011 -14.171 -4.435 1.00 0.00 C ATOM 339 O ASN A 64 -3.873 -14.599 -3.665 1.00 0.00 O ATOM 340 CB ASN A 64 -1.677 -16.277 -4.653 1.00 0.00 C ATOM 341 CG ASN A 64 -2.571 -16.787 -3.539 1.00 0.00 C ATOM 342 OD1 ASN A 64 -3.447 -17.621 -3.764 1.00 0.00 O ATOM 343 ND2 ASN A 64 -2.352 -16.285 -2.329 1.00 0.00 N ATOM 0 H ASN A 64 -0.604 -13.888 -5.591 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.038 -15.488 -6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.471 -17.089 -5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.720 -15.966 -4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.922 -16.590 -1.540 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.614 -15.595 -2.189 1.00 0.00 H new ATOM 350 N LEU A 65 -2.642 -12.896 -4.470 1.00 0.00 N ATOM 351 CA LEU A 65 -3.243 -11.901 -3.588 1.00 0.00 C ATOM 352 C LEU A 65 -4.302 -11.088 -4.326 1.00 0.00 C ATOM 353 O LEU A 65 -4.475 -11.228 -5.537 1.00 0.00 O ATOM 354 CB LEU A 65 -2.166 -10.969 -3.031 1.00 0.00 C ATOM 355 CG LEU A 65 -0.979 -11.648 -2.345 1.00 0.00 C ATOM 356 CD1 LEU A 65 0.030 -10.612 -1.876 1.00 0.00 C ATOM 357 CD2 LEU A 65 -1.455 -12.499 -1.177 1.00 0.00 C ATOM 0 H LEU A 65 -1.930 -12.526 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.724 -12.426 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.786 -10.357 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.634 -10.292 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.489 -12.300 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.867 -11.113 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.394 -10.045 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.447 -9.934 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.598 -12.975 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.969 -11.867 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.140 -13.265 -1.540 1.00 0.00 H new ATOM 369 N ASP A 66 -5.008 -10.239 -3.588 1.00 0.00 N ATOM 370 CA ASP A 66 -6.049 -9.401 -4.172 1.00 0.00 C ATOM 371 C ASP A 66 -6.023 -8.001 -3.567 1.00 0.00 C ATOM 372 O ASP A 66 -5.580 -7.812 -2.434 1.00 0.00 O ATOM 373 CB ASP A 66 -7.424 -10.036 -3.959 1.00 0.00 C ATOM 374 CG ASP A 66 -7.630 -10.506 -2.532 1.00 0.00 C ATOM 375 OD1 ASP A 66 -6.909 -11.430 -2.101 1.00 0.00 O ATOM 376 OD2 ASP A 66 -8.512 -9.948 -1.846 1.00 0.00 O ATOM 0 H ASP A 66 -4.879 -10.113 -2.584 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.857 -9.319 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.198 -9.313 -4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.540 -10.881 -4.637 1.00 0.00 H new ATOM 381 N GLU A 67 -6.499 -7.022 -4.331 1.00 0.00 N ATOM 382 CA GLU A 67 -6.527 -5.639 -3.870 1.00 0.00 C ATOM 383 C GLU A 67 -7.191 -5.536 -2.500 1.00 0.00 C ATOM 384 O GLU A 67 -6.723 -4.809 -1.624 1.00 0.00 O ATOM 385 CB GLU A 67 -7.270 -4.758 -4.877 1.00 0.00 C ATOM 386 CG GLU A 67 -6.402 -4.291 -6.034 1.00 0.00 C ATOM 387 CD GLU A 67 -7.189 -3.532 -7.084 1.00 0.00 C ATOM 388 OE1 GLU A 67 -7.907 -4.183 -7.872 1.00 0.00 O ATOM 389 OE2 GLU A 67 -7.087 -2.288 -7.119 1.00 0.00 O ATOM 0 H GLU A 67 -6.870 -7.161 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.498 -5.290 -3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.121 -5.312 -5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.670 -3.886 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.605 -3.653 -5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.925 -5.155 -6.497 1.00 0.00 H new ATOM 396 N LYS A 68 -8.286 -6.267 -2.323 1.00 0.00 N ATOM 397 CA LYS A 68 -9.016 -6.260 -1.061 1.00 0.00 C ATOM 398 C LYS A 68 -8.161 -6.831 0.065 1.00 0.00 C ATOM 399 O LYS A 68 -8.353 -6.496 1.234 1.00 0.00 O ATOM 400 CB LYS A 68 -10.310 -7.066 -1.192 1.00 0.00 C ATOM 401 CG LYS A 68 -11.111 -7.144 0.096 1.00 0.00 C ATOM 402 CD LYS A 68 -12.415 -7.899 -0.103 1.00 0.00 C ATOM 403 CE LYS A 68 -12.857 -8.594 1.176 1.00 0.00 C ATOM 404 NZ LYS A 68 -13.393 -7.629 2.175 1.00 0.00 N ATOM 0 H LYS A 68 -8.688 -6.873 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.262 -5.226 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.930 -6.618 -1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.067 -8.076 -1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.517 -7.638 0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.324 -6.137 0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.191 -7.207 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.292 -8.637 -0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.621 -9.335 0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.013 -9.132 1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.683 -8.142 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.656 -6.936 2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.214 -7.134 1.773 1.00 0.00 H new ATOM 418 N ASP A 69 -7.216 -7.694 -0.294 1.00 0.00 N ATOM 419 CA ASP A 69 -6.329 -8.309 0.686 1.00 0.00 C ATOM 420 C ASP A 69 -4.987 -7.587 0.734 1.00 0.00 C ATOM 421 O ASP A 69 -4.051 -8.036 1.398 1.00 0.00 O ATOM 422 CB ASP A 69 -6.116 -9.787 0.355 1.00 0.00 C ATOM 423 CG ASP A 69 -7.189 -10.675 0.954 1.00 0.00 C ATOM 424 OD1 ASP A 69 -7.399 -10.605 2.183 1.00 0.00 O ATOM 425 OD2 ASP A 69 -7.818 -11.442 0.194 1.00 0.00 O ATOM 0 H ASP A 69 -7.045 -7.983 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.799 -8.228 1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.104 -9.916 -0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.140 -10.102 0.724 1.00 0.00 H new ATOM 430 N LEU A 70 -4.898 -6.467 0.025 1.00 0.00 N ATOM 431 CA LEU A 70 -3.669 -5.682 -0.014 1.00 0.00 C ATOM 432 C LEU A 70 -3.896 -4.285 0.556 1.00 0.00 C ATOM 433 O LEU A 70 -3.030 -3.730 1.231 1.00 0.00 O ATOM 434 CB LEU A 70 -3.151 -5.581 -1.450 1.00 0.00 C ATOM 435 CG LEU A 70 -2.466 -6.830 -2.006 1.00 0.00 C ATOM 436 CD1 LEU A 70 -2.084 -6.625 -3.464 1.00 0.00 C ATOM 437 CD2 LEU A 70 -1.240 -7.180 -1.176 1.00 0.00 C ATOM 0 H LEU A 70 -5.662 -6.082 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.924 -6.188 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.989 -5.331 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.447 -4.751 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.168 -7.662 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.598 -7.524 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.981 -6.423 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.400 -5.781 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.765 -8.071 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.535 -6.349 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.540 -7.370 -0.146 1.00 0.00 H new ATOM 449 N LYS A 71 -5.068 -3.723 0.281 1.00 0.00 N ATOM 450 CA LYS A 71 -5.413 -2.393 0.768 1.00 0.00 C ATOM 451 C LYS A 71 -5.441 -2.363 2.293 1.00 0.00 C ATOM 452 O LYS A 71 -4.944 -1.433 2.929 1.00 0.00 O ATOM 453 CB LYS A 71 -6.771 -1.959 0.213 1.00 0.00 C ATOM 454 CG LYS A 71 -6.987 -0.456 0.237 1.00 0.00 C ATOM 455 CD LYS A 71 -8.203 -0.054 -0.580 1.00 0.00 C ATOM 456 CE LYS A 71 -9.464 -0.032 0.271 1.00 0.00 C ATOM 457 NZ LYS A 71 -9.636 1.269 0.975 1.00 0.00 N ATOM 0 H LYS A 71 -5.796 -4.169 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.648 -1.697 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.865 -2.315 -0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.560 -2.440 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.113 -0.122 1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.102 0.046 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.040 0.932 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.333 -0.751 -1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.332 -0.220 -0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.422 -0.838 1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.506 1.243 1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.820 1.437 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.702 2.036 0.276 1.00 0.00 H new ATOM 471 N PRO A 72 -6.036 -3.404 2.895 1.00 0.00 N ATOM 472 CA PRO A 72 -6.141 -3.521 4.353 1.00 0.00 C ATOM 473 C PRO A 72 -4.814 -3.252 5.053 1.00 0.00 C ATOM 474 O PRO A 72 -4.734 -2.420 5.958 1.00 0.00 O ATOM 475 CB PRO A 72 -6.572 -4.974 4.562 1.00 0.00 C ATOM 476 CG PRO A 72 -7.274 -5.346 3.302 1.00 0.00 C ATOM 477 CD PRO A 72 -6.649 -4.547 2.199 1.00 0.00 C ATOM 0 HA PRO A 72 -6.835 -2.792 4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.713 -5.620 4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.230 -5.071 5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.177 -6.414 3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.340 -5.132 3.377 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.905 -5.130 1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.392 -4.220 1.472 1.00 0.00 H new ATOM 485 N LEU A 73 -3.773 -3.961 4.630 1.00 0.00 N ATOM 486 CA LEU A 73 -2.447 -3.799 5.217 1.00 0.00 C ATOM 487 C LEU A 73 -2.026 -2.333 5.215 1.00 0.00 C ATOM 488 O LEU A 73 -2.000 -1.682 6.260 1.00 0.00 O ATOM 489 CB LEU A 73 -1.423 -4.637 4.451 1.00 0.00 C ATOM 490 CG LEU A 73 -1.535 -6.153 4.619 1.00 0.00 C ATOM 491 CD1 LEU A 73 -0.699 -6.870 3.570 1.00 0.00 C ATOM 492 CD2 LEU A 73 -1.106 -6.567 6.019 1.00 0.00 C ATOM 0 H LEU A 73 -3.821 -4.654 3.883 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.489 -4.144 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.511 -4.402 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.425 -4.330 4.764 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.578 -6.439 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.791 -7.948 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.052 -6.598 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.346 -6.579 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.192 -7.649 6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.071 -6.268 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.747 -6.081 6.755 1.00 0.00 H new ATOM 504 N PHE A 74 -1.699 -1.819 4.034 1.00 0.00 N ATOM 505 CA PHE A 74 -1.280 -0.429 3.895 1.00 0.00 C ATOM 506 C PHE A 74 -2.294 0.511 4.539 1.00 0.00 C ATOM 507 O PHE A 74 -1.948 1.319 5.400 1.00 0.00 O ATOM 508 CB PHE A 74 -1.103 -0.073 2.418 1.00 0.00 C ATOM 509 CG PHE A 74 -0.129 -0.962 1.699 1.00 0.00 C ATOM 510 CD1 PHE A 74 1.236 -0.796 1.868 1.00 0.00 C ATOM 511 CD2 PHE A 74 -0.579 -1.964 0.854 1.00 0.00 C ATOM 512 CE1 PHE A 74 2.135 -1.613 1.208 1.00 0.00 C ATOM 513 CE2 PHE A 74 0.315 -2.784 0.192 1.00 0.00 C ATOM 514 CZ PHE A 74 1.674 -2.608 0.369 1.00 0.00 C ATOM 0 H PHE A 74 -1.716 -2.344 3.160 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.325 -0.310 4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.071 -0.131 1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.765 0.960 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.602 -0.019 2.523 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.640 -2.106 0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.197 -1.473 1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.048 -3.562 -0.463 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.374 -3.247 -0.148 1.00 0.00 H new ATOM 524 N GLU A 75 -3.549 0.400 4.114 1.00 0.00 N ATOM 525 CA GLU A 75 -4.614 1.241 4.647 1.00 0.00 C ATOM 526 C GLU A 75 -4.430 1.465 6.146 1.00 0.00 C ATOM 527 O GLU A 75 -4.544 2.589 6.634 1.00 0.00 O ATOM 528 CB GLU A 75 -5.979 0.606 4.379 1.00 0.00 C ATOM 529 CG GLU A 75 -7.122 1.285 5.115 1.00 0.00 C ATOM 530 CD GLU A 75 -8.285 0.349 5.377 1.00 0.00 C ATOM 531 OE1 GLU A 75 -8.060 -0.721 5.981 1.00 0.00 O ATOM 532 OE2 GLU A 75 -9.420 0.685 4.979 1.00 0.00 O ATOM 0 H GLU A 75 -3.853 -0.264 3.402 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.566 2.207 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.180 0.635 3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.945 -0.444 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.756 1.678 6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.470 2.137 4.531 1.00 0.00 H new ATOM 539 N GLU A 76 -4.147 0.387 6.869 1.00 0.00 N ATOM 540 CA GLU A 76 -3.949 0.465 8.312 1.00 0.00 C ATOM 541 C GLU A 76 -2.817 1.429 8.654 1.00 0.00 C ATOM 542 O GLU A 76 -2.901 2.185 9.623 1.00 0.00 O ATOM 543 CB GLU A 76 -3.644 -0.921 8.883 1.00 0.00 C ATOM 544 CG GLU A 76 -4.886 -1.745 9.178 1.00 0.00 C ATOM 545 CD GLU A 76 -5.930 -0.968 9.958 1.00 0.00 C ATOM 546 OE1 GLU A 76 -5.741 -0.785 11.179 1.00 0.00 O ATOM 547 OE2 GLU A 76 -6.934 -0.545 9.349 1.00 0.00 O ATOM 0 H GLU A 76 -4.050 -0.551 6.480 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.870 0.839 8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.016 -1.465 8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.067 -0.808 9.801 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.321 -2.089 8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.603 -2.633 9.743 1.00 0.00 H new ATOM 554 N PHE A 77 -1.758 1.397 7.853 1.00 0.00 N ATOM 555 CA PHE A 77 -0.607 2.266 8.071 1.00 0.00 C ATOM 556 C PHE A 77 -0.907 3.691 7.613 1.00 0.00 C ATOM 557 O PHE A 77 -0.602 4.656 8.312 1.00 0.00 O ATOM 558 CB PHE A 77 0.615 1.726 7.326 1.00 0.00 C ATOM 559 CG PHE A 77 1.335 0.635 8.066 1.00 0.00 C ATOM 560 CD1 PHE A 77 2.290 0.942 9.022 1.00 0.00 C ATOM 561 CD2 PHE A 77 1.056 -0.697 7.806 1.00 0.00 C ATOM 562 CE1 PHE A 77 2.954 -0.060 9.705 1.00 0.00 C ATOM 563 CE2 PHE A 77 1.716 -1.703 8.487 1.00 0.00 C ATOM 564 CZ PHE A 77 2.667 -1.384 9.436 1.00 0.00 C ATOM 0 H PHE A 77 -1.672 0.779 7.046 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.394 2.283 9.140 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.300 1.348 6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.308 2.546 7.139 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.518 1.976 9.236 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.315 -0.952 7.063 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.696 0.192 10.448 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.488 -2.738 8.277 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.186 -2.169 9.967 1.00 0.00 H new ATOM 574 N GLY A 78 -1.507 3.813 6.433 1.00 0.00 N ATOM 575 CA GLY A 78 -1.838 5.122 5.901 1.00 0.00 C ATOM 576 C GLY A 78 -3.172 5.135 5.181 1.00 0.00 C ATOM 577 O GLY A 78 -3.738 4.082 4.886 1.00 0.00 O ATOM 0 H GLY A 78 -1.770 3.029 5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.861 5.846 6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.054 5.440 5.213 1.00 0.00 H new ATOM 581 N LYS A 79 -3.679 6.331 4.899 1.00 0.00 N ATOM 582 CA LYS A 79 -4.955 6.478 4.210 1.00 0.00 C ATOM 583 C LYS A 79 -4.786 6.289 2.706 1.00 0.00 C ATOM 584 O LYS A 79 -4.063 7.043 2.054 1.00 0.00 O ATOM 585 CB LYS A 79 -5.557 7.856 4.498 1.00 0.00 C ATOM 586 CG LYS A 79 -6.248 7.948 5.847 1.00 0.00 C ATOM 587 CD LYS A 79 -6.909 9.302 6.044 1.00 0.00 C ATOM 588 CE LYS A 79 -7.934 9.264 7.166 1.00 0.00 C ATOM 589 NZ LYS A 79 -9.213 8.639 6.728 1.00 0.00 N ATOM 0 H LYS A 79 -3.225 7.213 5.137 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.631 5.708 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.767 8.605 4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.274 8.101 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.998 7.161 5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.521 7.778 6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.149 10.050 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.394 9.610 5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.528 8.707 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.127 10.278 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.903 8.678 7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.588 9.155 5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.043 7.647 6.466 1.00 0.00 H new ATOM 603 N ILE A 80 -5.459 5.281 2.162 1.00 0.00 N ATOM 604 CA ILE A 80 -5.385 4.996 0.734 1.00 0.00 C ATOM 605 C ILE A 80 -6.497 5.709 -0.027 1.00 0.00 C ATOM 606 O ILE A 80 -7.648 5.731 0.410 1.00 0.00 O ATOM 607 CB ILE A 80 -5.477 3.484 0.457 1.00 0.00 C ATOM 608 CG1 ILE A 80 -4.330 2.745 1.151 1.00 0.00 C ATOM 609 CG2 ILE A 80 -5.455 3.218 -1.041 1.00 0.00 C ATOM 610 CD1 ILE A 80 -4.502 1.242 1.168 1.00 0.00 C ATOM 0 H ILE A 80 -6.062 4.648 2.688 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.418 5.363 0.388 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.420 3.113 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.394 2.990 0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.245 3.104 2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.521 2.145 -1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.302 3.717 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.527 3.601 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.653 0.784 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.421 0.987 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.557 0.870 0.145 1.00 0.00 H new ATOM 622 N TYR A 81 -6.145 6.291 -1.169 1.00 0.00 N ATOM 623 CA TYR A 81 -7.113 7.006 -1.992 1.00 0.00 C ATOM 624 C TYR A 81 -7.551 6.156 -3.180 1.00 0.00 C ATOM 625 O TYR A 81 -8.729 6.128 -3.536 1.00 0.00 O ATOM 626 CB TYR A 81 -6.518 8.326 -2.486 1.00 0.00 C ATOM 627 CG TYR A 81 -7.292 8.951 -3.624 1.00 0.00 C ATOM 628 CD1 TYR A 81 -6.991 8.644 -4.946 1.00 0.00 C ATOM 629 CD2 TYR A 81 -8.325 9.847 -3.378 1.00 0.00 C ATOM 630 CE1 TYR A 81 -7.695 9.214 -5.989 1.00 0.00 C ATOM 631 CE2 TYR A 81 -9.035 10.420 -4.416 1.00 0.00 C ATOM 632 CZ TYR A 81 -8.716 10.101 -5.719 1.00 0.00 C ATOM 633 OH TYR A 81 -9.421 10.669 -6.755 1.00 0.00 O ATOM 0 H TYR A 81 -5.197 6.281 -1.545 1.00 0.00 H new ATOM 0 HA TYR A 81 -7.988 7.217 -1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -6.478 9.030 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -5.491 8.154 -2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.193 7.948 -5.161 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.577 10.100 -2.359 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.447 8.966 -7.011 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.836 11.114 -4.208 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.106 11.269 -6.394 1.00 0.00 H new ATOM 643 N GLU A 82 -6.593 5.464 -3.790 1.00 0.00 N ATOM 644 CA GLU A 82 -6.880 4.613 -4.939 1.00 0.00 C ATOM 645 C GLU A 82 -5.770 3.587 -5.145 1.00 0.00 C ATOM 646 O GLU A 82 -4.606 3.943 -5.336 1.00 0.00 O ATOM 647 CB GLU A 82 -7.046 5.462 -6.201 1.00 0.00 C ATOM 648 CG GLU A 82 -7.908 4.806 -7.266 1.00 0.00 C ATOM 649 CD GLU A 82 -8.150 5.710 -8.460 1.00 0.00 C ATOM 650 OE1 GLU A 82 -7.191 5.951 -9.223 1.00 0.00 O ATOM 651 OE2 GLU A 82 -9.296 6.176 -8.630 1.00 0.00 O ATOM 0 H GLU A 82 -5.613 5.476 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.811 4.081 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.487 6.421 -5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.062 5.671 -6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.427 3.887 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.866 4.523 -6.829 1.00 0.00 H new ATOM 658 N LEU A 83 -6.138 2.311 -5.106 1.00 0.00 N ATOM 659 CA LEU A 83 -5.174 1.231 -5.288 1.00 0.00 C ATOM 660 C LEU A 83 -5.291 0.627 -6.684 1.00 0.00 C ATOM 661 O LEU A 83 -6.386 0.517 -7.236 1.00 0.00 O ATOM 662 CB LEU A 83 -5.388 0.146 -4.231 1.00 0.00 C ATOM 663 CG LEU A 83 -4.502 -1.094 -4.352 1.00 0.00 C ATOM 664 CD1 LEU A 83 -3.063 -0.760 -3.988 1.00 0.00 C ATOM 665 CD2 LEU A 83 -5.030 -2.216 -3.470 1.00 0.00 C ATOM 0 H LEU A 83 -7.096 1.999 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.173 1.647 -5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.227 0.588 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.430 -0.171 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.524 -1.432 -5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.447 -1.655 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.687 0.010 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.023 -0.396 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.387 -3.090 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.039 -1.888 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.043 -2.474 -3.778 1.00 0.00 H new ATOM 677 N THR A 84 -4.154 0.232 -7.249 1.00 0.00 N ATOM 678 CA THR A 84 -4.128 -0.362 -8.580 1.00 0.00 C ATOM 679 C THR A 84 -3.061 -1.446 -8.677 1.00 0.00 C ATOM 680 O THR A 84 -1.872 -1.178 -8.502 1.00 0.00 O ATOM 681 CB THR A 84 -3.867 0.700 -9.665 1.00 0.00 C ATOM 682 OG1 THR A 84 -4.905 1.686 -9.645 1.00 0.00 O ATOM 683 CG2 THR A 84 -3.795 0.059 -11.043 1.00 0.00 C ATOM 0 H THR A 84 -3.239 0.313 -6.805 1.00 0.00 H new ATOM 0 HA THR A 84 -5.109 -0.806 -8.747 1.00 0.00 H new ATOM 0 HB THR A 84 -2.910 1.177 -9.453 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.731 2.358 -10.336 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.610 0.828 -11.793 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.985 -0.670 -11.063 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.739 -0.441 -11.261 1.00 0.00 H new ATOM 691 N VAL A 85 -3.492 -2.671 -8.959 1.00 0.00 N ATOM 692 CA VAL A 85 -2.572 -3.796 -9.082 1.00 0.00 C ATOM 693 C VAL A 85 -2.126 -3.986 -10.527 1.00 0.00 C ATOM 694 O VAL A 85 -2.833 -4.594 -11.332 1.00 0.00 O ATOM 695 CB VAL A 85 -3.213 -5.102 -8.578 1.00 0.00 C ATOM 696 CG1 VAL A 85 -2.282 -6.281 -8.819 1.00 0.00 C ATOM 697 CG2 VAL A 85 -3.568 -4.987 -7.103 1.00 0.00 C ATOM 0 H VAL A 85 -4.473 -2.910 -9.107 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.704 -3.564 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.132 -5.274 -9.137 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.752 -7.195 -8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.082 -6.374 -9.886 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.345 -6.119 -8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.020 -5.919 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.665 -4.791 -6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.274 -4.169 -6.961 1.00 0.00 H new ATOM 707 N LEU A 86 -0.949 -3.462 -10.851 1.00 0.00 N ATOM 708 CA LEU A 86 -0.407 -3.574 -12.201 1.00 0.00 C ATOM 709 C LEU A 86 -0.738 -4.933 -12.810 1.00 0.00 C ATOM 710 O LEU A 86 -0.198 -5.959 -12.397 1.00 0.00 O ATOM 711 CB LEU A 86 1.108 -3.367 -12.182 1.00 0.00 C ATOM 712 CG LEU A 86 1.588 -1.947 -11.880 1.00 0.00 C ATOM 713 CD1 LEU A 86 3.079 -1.938 -11.585 1.00 0.00 C ATOM 714 CD2 LEU A 86 1.266 -1.017 -13.040 1.00 0.00 C ATOM 0 H LEU A 86 -0.352 -2.955 -10.198 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.866 -2.800 -12.815 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.537 -4.040 -11.439 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.507 -3.666 -13.151 1.00 0.00 H new ATOM 0 HG LEU A 86 1.062 -1.587 -10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.402 -0.919 -11.373 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.283 -2.571 -10.721 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.623 -2.318 -12.450 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.615 -0.011 -12.807 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.764 -1.374 -13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.188 -0.999 -13.203 1.00 0.00 H new ATOM 726 N LYS A 87 -1.629 -4.933 -13.796 1.00 0.00 N ATOM 727 CA LYS A 87 -2.031 -6.164 -14.465 1.00 0.00 C ATOM 728 C LYS A 87 -1.867 -6.040 -15.976 1.00 0.00 C ATOM 729 O LYS A 87 -2.209 -5.015 -16.565 1.00 0.00 O ATOM 730 CB LYS A 87 -3.484 -6.503 -14.125 1.00 0.00 C ATOM 731 CG LYS A 87 -3.641 -7.273 -12.825 1.00 0.00 C ATOM 732 CD LYS A 87 -5.101 -7.394 -12.421 1.00 0.00 C ATOM 733 CE LYS A 87 -5.247 -7.641 -10.928 1.00 0.00 C ATOM 734 NZ LYS A 87 -4.643 -8.940 -10.518 1.00 0.00 N ATOM 0 H LYS A 87 -2.087 -4.093 -14.150 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.385 -6.968 -14.112 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.059 -5.579 -14.062 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.911 -7.089 -14.939 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.210 -8.268 -12.936 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.084 -6.771 -12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.632 -6.482 -12.694 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.566 -8.211 -12.973 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.771 -6.830 -10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.303 -7.631 -10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.808 -9.095 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.079 -9.712 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.620 -8.921 -10.703 1.00 0.00 H new ATOM 748 N ASP A 88 -1.344 -7.091 -16.598 1.00 0.00 N ATOM 749 CA ASP A 88 -1.137 -7.101 -18.042 1.00 0.00 C ATOM 750 C ASP A 88 -2.464 -7.251 -18.779 1.00 0.00 C ATOM 751 O ASP A 88 -2.607 -6.802 -19.917 1.00 0.00 O ATOM 752 CB ASP A 88 -0.190 -8.235 -18.435 1.00 0.00 C ATOM 753 CG ASP A 88 0.489 -7.986 -19.768 1.00 0.00 C ATOM 754 OD1 ASP A 88 0.653 -6.805 -20.139 1.00 0.00 O ATOM 755 OD2 ASP A 88 0.858 -8.973 -20.438 1.00 0.00 O ATOM 0 H ASP A 88 -1.056 -7.947 -16.125 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.689 -6.149 -18.327 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.568 -8.356 -17.661 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.748 -9.170 -18.484 1.00 0.00 H new ATOM 760 N ARG A 89 -3.431 -7.885 -18.125 1.00 0.00 N ATOM 761 CA ARG A 89 -4.745 -8.096 -18.720 1.00 0.00 C ATOM 762 C ARG A 89 -4.628 -8.831 -20.052 1.00 0.00 C ATOM 763 O ARG A 89 -5.498 -8.715 -20.915 1.00 0.00 O ATOM 764 CB ARG A 89 -5.457 -6.758 -18.924 1.00 0.00 C ATOM 765 CG ARG A 89 -6.903 -6.899 -19.371 1.00 0.00 C ATOM 766 CD ARG A 89 -7.680 -5.609 -19.160 1.00 0.00 C ATOM 767 NE ARG A 89 -9.066 -5.725 -19.604 1.00 0.00 N ATOM 768 CZ ARG A 89 -9.456 -5.512 -20.856 1.00 0.00 C ATOM 769 NH1 ARG A 89 -8.570 -5.173 -21.782 1.00 0.00 N ATOM 770 NH2 ARG A 89 -10.736 -5.637 -21.184 1.00 0.00 N ATOM 0 H ARG A 89 -3.329 -8.262 -17.183 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.331 -8.711 -18.036 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.427 -6.194 -17.991 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.911 -6.175 -19.666 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.934 -7.175 -20.425 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.379 -7.707 -18.816 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.659 -5.342 -18.103 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.192 -4.799 -19.703 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.773 -5.984 -18.916 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.585 -5.075 -21.534 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.873 -5.010 -22.742 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.421 -5.897 -20.475 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.034 -5.473 -22.146 1.00 0.00 H new ATOM 784 N PHE A 90 -3.545 -9.585 -20.212 1.00 0.00 N ATOM 785 CA PHE A 90 -3.313 -10.337 -21.440 1.00 0.00 C ATOM 786 C PHE A 90 -2.853 -11.759 -21.128 1.00 0.00 C ATOM 787 O PHE A 90 -3.611 -12.717 -21.282 1.00 0.00 O ATOM 788 CB PHE A 90 -2.268 -9.630 -22.306 1.00 0.00 C ATOM 789 CG PHE A 90 -2.857 -8.622 -23.252 1.00 0.00 C ATOM 790 CD1 PHE A 90 -3.586 -7.546 -22.772 1.00 0.00 C ATOM 791 CD2 PHE A 90 -2.680 -8.751 -24.620 1.00 0.00 C ATOM 792 CE1 PHE A 90 -4.129 -6.618 -23.640 1.00 0.00 C ATOM 793 CE2 PHE A 90 -3.220 -7.825 -25.493 1.00 0.00 C ATOM 794 CZ PHE A 90 -3.945 -6.757 -25.002 1.00 0.00 C ATOM 0 H PHE A 90 -2.815 -9.691 -19.508 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.254 -10.390 -21.988 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.548 -9.131 -21.658 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.717 -10.376 -22.879 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.731 -7.431 -21.708 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.114 -9.584 -25.009 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.697 -5.785 -23.254 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.075 -7.937 -26.557 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.367 -6.032 -25.682 1.00 0.00 H new ATOM 804 N THR A 91 -1.605 -11.888 -20.688 1.00 0.00 N ATOM 805 CA THR A 91 -1.043 -13.191 -20.356 1.00 0.00 C ATOM 806 C THR A 91 -0.284 -13.142 -19.035 1.00 0.00 C ATOM 807 O THR A 91 -0.352 -14.073 -18.234 1.00 0.00 O ATOM 808 CB THR A 91 -0.094 -13.691 -21.462 1.00 0.00 C ATOM 809 OG1 THR A 91 0.526 -14.917 -21.057 1.00 0.00 O ATOM 810 CG2 THR A 91 0.975 -12.653 -21.769 1.00 0.00 C ATOM 0 H THR A 91 -0.964 -11.106 -20.553 1.00 0.00 H new ATOM 0 HA THR A 91 -1.880 -13.883 -20.265 1.00 0.00 H new ATOM 0 HB THR A 91 -0.681 -13.861 -22.364 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.127 -15.230 -21.766 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.633 -13.029 -22.553 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.501 -11.731 -22.105 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.558 -12.455 -20.870 1.00 0.00 H new ATOM 818 N GLY A 92 0.439 -12.048 -18.813 1.00 0.00 N ATOM 819 CA GLY A 92 1.199 -11.898 -17.587 1.00 0.00 C ATOM 820 C GLY A 92 0.338 -11.455 -16.420 1.00 0.00 C ATOM 821 O GLY A 92 0.812 -10.768 -15.516 1.00 0.00 O ATOM 0 H GLY A 92 0.511 -11.263 -19.461 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.678 -12.846 -17.342 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.995 -11.170 -17.744 1.00 0.00 H new ATOM 825 N MET A 93 -0.931 -11.848 -16.442 1.00 0.00 N ATOM 826 CA MET A 93 -1.861 -11.487 -15.378 1.00 0.00 C ATOM 827 C MET A 93 -1.163 -11.490 -14.022 1.00 0.00 C ATOM 828 O MET A 93 -0.646 -12.518 -13.581 1.00 0.00 O ATOM 829 CB MET A 93 -3.046 -12.454 -15.357 1.00 0.00 C ATOM 830 CG MET A 93 -2.668 -13.870 -14.953 1.00 0.00 C ATOM 831 SD MET A 93 -3.887 -15.090 -15.479 1.00 0.00 S ATOM 832 CE MET A 93 -2.910 -16.591 -15.419 1.00 0.00 C ATOM 0 H MET A 93 -1.339 -12.416 -17.184 1.00 0.00 H new ATOM 0 HA MET A 93 -2.227 -10.480 -15.576 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.800 -12.077 -14.666 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.503 -12.477 -16.346 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.699 -14.121 -15.385 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.556 -13.917 -13.870 1.00 0.00 H new ATOM 0 HE1 MET A 93 -3.526 -17.439 -15.719 1.00 0.00 H new ATOM 0 HE2 MET A 93 -2.062 -16.501 -16.098 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.546 -16.748 -14.404 1.00 0.00 H new ATOM 842 N HIS A 94 -1.150 -10.335 -13.364 1.00 0.00 N ATOM 843 CA HIS A 94 -0.515 -10.206 -12.058 1.00 0.00 C ATOM 844 C HIS A 94 1.004 -10.285 -12.181 1.00 0.00 C ATOM 845 O HIS A 94 1.648 -11.108 -11.530 1.00 0.00 O ATOM 846 CB HIS A 94 -1.019 -11.296 -11.112 1.00 0.00 C ATOM 847 CG HIS A 94 -1.030 -10.882 -9.672 1.00 0.00 C ATOM 848 ND1 HIS A 94 0.097 -10.457 -9.003 1.00 0.00 N ATOM 849 CD2 HIS A 94 -2.042 -10.829 -8.775 1.00 0.00 C ATOM 850 CE1 HIS A 94 -0.220 -10.161 -7.755 1.00 0.00 C ATOM 851 NE2 HIS A 94 -1.512 -10.378 -7.591 1.00 0.00 N ATOM 0 H HIS A 94 -1.572 -9.475 -13.714 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.778 -9.230 -11.649 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.028 -11.583 -11.407 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.391 -12.180 -11.222 1.00 0.00 H new ATOM 0 HD1 HIS A 94 1.030 -10.383 -9.408 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.074 -11.092 -8.956 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.462 -9.803 -6.998 1.00 0.00 H new ATOM 859 N LYS A 95 1.570 -9.426 -13.022 1.00 0.00 N ATOM 860 CA LYS A 95 3.013 -9.398 -13.231 1.00 0.00 C ATOM 861 C LYS A 95 3.756 -9.772 -11.953 1.00 0.00 C ATOM 862 O LYS A 95 4.442 -10.792 -11.898 1.00 0.00 O ATOM 863 CB LYS A 95 3.453 -8.010 -13.702 1.00 0.00 C ATOM 864 CG LYS A 95 2.757 -7.549 -14.971 1.00 0.00 C ATOM 865 CD LYS A 95 3.350 -6.250 -15.491 1.00 0.00 C ATOM 866 CE LYS A 95 2.311 -5.419 -16.229 1.00 0.00 C ATOM 867 NZ LYS A 95 2.941 -4.390 -17.101 1.00 0.00 N ATOM 0 H LYS A 95 1.051 -8.740 -13.570 1.00 0.00 H new ATOM 0 HA LYS A 95 3.258 -10.131 -14.000 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.259 -7.288 -12.909 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.530 -8.017 -13.870 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.843 -8.321 -15.735 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.694 -7.412 -14.775 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.754 -5.674 -14.658 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.183 -6.471 -16.159 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.685 -6.075 -16.835 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.656 -4.931 -15.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.200 -3.845 -17.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.518 -3.749 -16.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.546 -4.856 -17.807 1.00 0.00 H new ATOM 881 N GLY A 96 3.613 -8.941 -10.925 1.00 0.00 N ATOM 882 CA GLY A 96 4.275 -9.203 -9.661 1.00 0.00 C ATOM 883 C GLY A 96 4.529 -7.938 -8.866 1.00 0.00 C ATOM 884 O GLY A 96 5.546 -7.819 -8.182 1.00 0.00 O ATOM 0 H GLY A 96 3.050 -8.091 -10.945 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.664 -9.884 -9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.223 -9.707 -9.849 1.00 0.00 H new ATOM 888 N CYS A 97 3.603 -6.989 -8.955 1.00 0.00 N ATOM 889 CA CYS A 97 3.732 -5.725 -8.240 1.00 0.00 C ATOM 890 C CYS A 97 2.400 -4.982 -8.203 1.00 0.00 C ATOM 891 O CYS A 97 1.418 -5.420 -8.800 1.00 0.00 O ATOM 892 CB CYS A 97 4.799 -4.849 -8.898 1.00 0.00 C ATOM 893 SG CYS A 97 4.568 -4.614 -10.676 1.00 0.00 S ATOM 0 H CYS A 97 2.755 -7.072 -9.516 1.00 0.00 H new ATOM 0 HA CYS A 97 4.033 -5.945 -7.216 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.804 -3.874 -8.411 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.778 -5.296 -8.726 1.00 0.00 H new ATOM 0 HG CYS A 97 5.518 -3.858 -11.141 1.00 0.00 H new ATOM 899 N ALA A 98 2.375 -3.857 -7.496 1.00 0.00 N ATOM 900 CA ALA A 98 1.164 -3.054 -7.381 1.00 0.00 C ATOM 901 C ALA A 98 1.496 -1.607 -7.035 1.00 0.00 C ATOM 902 O ALA A 98 2.453 -1.335 -6.309 1.00 0.00 O ATOM 903 CB ALA A 98 0.234 -3.649 -6.334 1.00 0.00 C ATOM 0 H ALA A 98 3.180 -3.481 -6.994 1.00 0.00 H new ATOM 0 HA ALA A 98 0.659 -3.062 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.666 -3.039 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.038 -4.664 -6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.739 -3.671 -5.369 1.00 0.00 H new ATOM 909 N PHE A 99 0.700 -0.680 -7.558 1.00 0.00 N ATOM 910 CA PHE A 99 0.911 0.740 -7.306 1.00 0.00 C ATOM 911 C PHE A 99 -0.071 1.258 -6.258 1.00 0.00 C ATOM 912 O PHE A 99 -1.287 1.163 -6.430 1.00 0.00 O ATOM 913 CB PHE A 99 0.759 1.538 -8.602 1.00 0.00 C ATOM 914 CG PHE A 99 2.043 1.690 -9.367 1.00 0.00 C ATOM 915 CD1 PHE A 99 3.154 2.269 -8.774 1.00 0.00 C ATOM 916 CD2 PHE A 99 2.139 1.254 -10.678 1.00 0.00 C ATOM 917 CE1 PHE A 99 4.337 2.409 -9.475 1.00 0.00 C ATOM 918 CE2 PHE A 99 3.319 1.391 -11.384 1.00 0.00 C ATOM 919 CZ PHE A 99 4.419 1.970 -10.782 1.00 0.00 C ATOM 0 H PHE A 99 -0.097 -0.887 -8.159 1.00 0.00 H new ATOM 0 HA PHE A 99 1.924 0.869 -6.925 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.023 1.046 -9.238 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.367 2.527 -8.366 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.095 2.615 -7.753 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.282 0.802 -11.154 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.196 2.861 -9.001 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.381 1.046 -12.405 1.00 0.00 H new ATOM 0 HZ PHE A 99 5.342 2.079 -11.332 1.00 0.00 H new ATOM 929 N LEU A 100 0.466 1.806 -5.173 1.00 0.00 N ATOM 930 CA LEU A 100 -0.362 2.339 -4.097 1.00 0.00 C ATOM 931 C LEU A 100 -0.325 3.864 -4.086 1.00 0.00 C ATOM 932 O LEU A 100 0.709 4.473 -4.361 1.00 0.00 O ATOM 933 CB LEU A 100 0.111 1.796 -2.747 1.00 0.00 C ATOM 934 CG LEU A 100 -0.787 2.103 -1.548 1.00 0.00 C ATOM 935 CD1 LEU A 100 -2.132 1.408 -1.697 1.00 0.00 C ATOM 936 CD2 LEU A 100 -0.109 1.684 -0.252 1.00 0.00 C ATOM 0 H LEU A 100 1.470 1.893 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.390 2.020 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.216 0.714 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.104 2.198 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.959 3.179 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.758 1.638 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.623 1.757 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.980 0.330 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.763 1.910 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.093 0.613 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.829 2.228 -0.140 1.00 0.00 H new ATOM 948 N THR A 101 -1.460 4.476 -3.763 1.00 0.00 N ATOM 949 CA THR A 101 -1.558 5.929 -3.715 1.00 0.00 C ATOM 950 C THR A 101 -1.938 6.408 -2.319 1.00 0.00 C ATOM 951 O THR A 101 -3.050 6.163 -1.849 1.00 0.00 O ATOM 952 CB THR A 101 -2.593 6.457 -4.726 1.00 0.00 C ATOM 953 OG1 THR A 101 -2.284 5.976 -6.039 1.00 0.00 O ATOM 954 CG2 THR A 101 -2.619 7.978 -4.731 1.00 0.00 C ATOM 0 H THR A 101 -2.325 3.987 -3.531 1.00 0.00 H new ATOM 0 HA THR A 101 -0.575 6.320 -3.976 1.00 0.00 H new ATOM 0 HB THR A 101 -3.577 6.094 -4.428 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.868 5.219 -6.256 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.358 8.327 -5.453 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.883 8.341 -3.738 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.635 8.358 -5.006 1.00 0.00 H new ATOM 962 N TYR A 102 -1.010 7.094 -1.660 1.00 0.00 N ATOM 963 CA TYR A 102 -1.249 7.606 -0.316 1.00 0.00 C ATOM 964 C TYR A 102 -1.691 9.066 -0.360 1.00 0.00 C ATOM 965 O TYR A 102 -1.058 9.899 -1.009 1.00 0.00 O ATOM 966 CB TYR A 102 0.015 7.470 0.535 1.00 0.00 C ATOM 967 CG TYR A 102 0.086 6.174 1.310 1.00 0.00 C ATOM 968 CD1 TYR A 102 -0.937 5.800 2.173 1.00 0.00 C ATOM 969 CD2 TYR A 102 1.176 5.322 1.179 1.00 0.00 C ATOM 970 CE1 TYR A 102 -0.875 4.617 2.884 1.00 0.00 C ATOM 971 CE2 TYR A 102 1.245 4.136 1.884 1.00 0.00 C ATOM 972 CZ TYR A 102 0.217 3.788 2.735 1.00 0.00 C ATOM 973 OH TYR A 102 0.282 2.608 3.440 1.00 0.00 O ATOM 0 H TYR A 102 -0.086 7.308 -2.035 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.048 7.017 0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.889 7.545 -0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.064 8.305 1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.795 6.445 2.290 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.983 5.592 0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.677 4.343 3.553 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.099 3.485 1.769 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.540 2.492 3.960 1.00 0.00 H new ATOM 983 N CYS A 103 -2.782 9.367 0.336 1.00 0.00 N ATOM 984 CA CYS A 103 -3.311 10.726 0.377 1.00 0.00 C ATOM 985 C CYS A 103 -2.242 11.712 0.835 1.00 0.00 C ATOM 986 O CYS A 103 -1.813 12.575 0.070 1.00 0.00 O ATOM 987 CB CYS A 103 -4.520 10.796 1.312 1.00 0.00 C ATOM 988 SG CYS A 103 -5.955 9.860 0.734 1.00 0.00 S ATOM 0 H CYS A 103 -3.317 8.689 0.879 1.00 0.00 H new ATOM 0 HA CYS A 103 -3.623 10.999 -0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.228 10.424 2.294 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -4.808 11.840 1.439 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.925 9.978 1.592 1.00 0.00 H new ATOM 994 N GLU A 104 -1.817 11.578 2.087 1.00 0.00 N ATOM 995 CA GLU A 104 -0.799 12.459 2.646 1.00 0.00 C ATOM 996 C GLU A 104 0.580 12.122 2.087 1.00 0.00 C ATOM 997 O GLU A 104 0.767 11.086 1.449 1.00 0.00 O ATOM 998 CB GLU A 104 -0.782 12.352 4.173 1.00 0.00 C ATOM 999 CG GLU A 104 -2.095 12.750 4.825 1.00 0.00 C ATOM 1000 CD GLU A 104 -2.280 12.123 6.194 1.00 0.00 C ATOM 1001 OE1 GLU A 104 -2.601 10.918 6.256 1.00 0.00 O ATOM 1002 OE2 GLU A 104 -2.103 12.838 7.202 1.00 0.00 O ATOM 0 H GLU A 104 -2.162 10.868 2.733 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.047 13.482 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.542 11.327 4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.015 12.984 4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.136 13.835 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.922 12.454 4.179 1.00 0.00 H new ATOM 1009 N ARG A 105 1.543 13.006 2.329 1.00 0.00 N ATOM 1010 CA ARG A 105 2.904 12.804 1.848 1.00 0.00 C ATOM 1011 C ARG A 105 3.690 11.908 2.801 1.00 0.00 C ATOM 1012 O ARG A 105 4.221 10.874 2.399 1.00 0.00 O ATOM 1013 CB ARG A 105 3.617 14.149 1.690 1.00 0.00 C ATOM 1014 CG ARG A 105 5.091 14.019 1.342 1.00 0.00 C ATOM 1015 CD ARG A 105 5.306 13.987 -0.163 1.00 0.00 C ATOM 1016 NE ARG A 105 5.283 15.325 -0.748 1.00 0.00 N ATOM 1017 CZ ARG A 105 6.318 16.157 -0.722 1.00 0.00 C ATOM 1018 NH1 ARG A 105 7.452 15.791 -0.142 1.00 0.00 N ATOM 1019 NH2 ARG A 105 6.219 17.359 -1.276 1.00 0.00 N ATOM 0 H ARG A 105 1.405 13.869 2.855 1.00 0.00 H new ATOM 0 HA ARG A 105 2.850 12.313 0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.118 14.726 0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.520 14.714 2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.643 14.855 1.772 1.00 0.00 H new ATOM 0 HG3 ARG A 105 5.493 13.109 1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.262 13.512 -0.383 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.532 13.375 -0.627 1.00 0.00 H new ATOM 0 HE ARG A 105 4.425 15.638 -1.202 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.531 14.868 0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.245 16.432 -0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.347 17.645 -1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.014 17.997 -1.255 1.00 0.00 H new ATOM 1033 N GLU A 106 3.759 12.314 4.065 1.00 0.00 N ATOM 1034 CA GLU A 106 4.482 11.548 5.074 1.00 0.00 C ATOM 1035 C GLU A 106 3.860 10.167 5.256 1.00 0.00 C ATOM 1036 O GLU A 106 4.566 9.161 5.326 1.00 0.00 O ATOM 1037 CB GLU A 106 4.487 12.298 6.408 1.00 0.00 C ATOM 1038 CG GLU A 106 5.072 13.697 6.318 1.00 0.00 C ATOM 1039 CD GLU A 106 4.937 14.470 7.615 1.00 0.00 C ATOM 1040 OE1 GLU A 106 4.877 13.830 8.685 1.00 0.00 O ATOM 1041 OE2 GLU A 106 4.892 15.717 7.560 1.00 0.00 O ATOM 0 H GLU A 106 3.324 13.168 4.414 1.00 0.00 H new ATOM 0 HA GLU A 106 5.509 11.422 4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.465 12.364 6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.056 11.722 7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.126 13.629 6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.572 14.245 5.519 1.00 0.00 H new ATOM 1048 N SER A 107 2.534 10.126 5.334 1.00 0.00 N ATOM 1049 CA SER A 107 1.816 8.870 5.513 1.00 0.00 C ATOM 1050 C SER A 107 2.454 7.758 4.686 1.00 0.00 C ATOM 1051 O SER A 107 2.517 6.607 5.117 1.00 0.00 O ATOM 1052 CB SER A 107 0.348 9.036 5.119 1.00 0.00 C ATOM 1053 OG SER A 107 0.220 9.337 3.740 1.00 0.00 O ATOM 0 H SER A 107 1.935 10.949 5.276 1.00 0.00 H new ATOM 0 HA SER A 107 1.872 8.595 6.566 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.198 8.121 5.347 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.103 9.832 5.711 1.00 0.00 H new ATOM 0 HG SER A 107 -0.723 9.280 3.479 1.00 0.00 H new ATOM 1059 N ALA A 108 2.925 8.111 3.494 1.00 0.00 N ATOM 1060 CA ALA A 108 3.559 7.145 2.606 1.00 0.00 C ATOM 1061 C ALA A 108 4.902 6.685 3.165 1.00 0.00 C ATOM 1062 O ALA A 108 5.223 5.496 3.137 1.00 0.00 O ATOM 1063 CB ALA A 108 3.739 7.742 1.218 1.00 0.00 C ATOM 0 H ALA A 108 2.879 9.059 3.121 1.00 0.00 H new ATOM 0 HA ALA A 108 2.908 6.274 2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.214 7.009 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.766 8.014 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.367 8.631 1.283 1.00 0.00 H new ATOM 1069 N LEU A 109 5.683 7.633 3.670 1.00 0.00 N ATOM 1070 CA LEU A 109 6.992 7.326 4.235 1.00 0.00 C ATOM 1071 C LEU A 109 6.879 6.265 5.325 1.00 0.00 C ATOM 1072 O LEU A 109 7.598 5.265 5.311 1.00 0.00 O ATOM 1073 CB LEU A 109 7.635 8.592 4.803 1.00 0.00 C ATOM 1074 CG LEU A 109 7.576 9.833 3.912 1.00 0.00 C ATOM 1075 CD1 LEU A 109 8.169 11.035 4.630 1.00 0.00 C ATOM 1076 CD2 LEU A 109 8.303 9.581 2.599 1.00 0.00 C ATOM 0 H LEU A 109 5.432 8.621 3.700 1.00 0.00 H new ATOM 0 HA LEU A 109 7.622 6.934 3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.151 8.827 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.681 8.377 5.023 1.00 0.00 H new ATOM 0 HG LEU A 109 6.531 10.048 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.118 11.909 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.605 11.228 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.209 10.831 4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.251 10.475 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.347 9.340 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.833 8.748 2.077 1.00 0.00 H new ATOM 1088 N LYS A 110 5.972 6.489 6.269 1.00 0.00 N ATOM 1089 CA LYS A 110 5.761 5.553 7.367 1.00 0.00 C ATOM 1090 C LYS A 110 5.677 4.120 6.850 1.00 0.00 C ATOM 1091 O LYS A 110 6.553 3.300 7.123 1.00 0.00 O ATOM 1092 CB LYS A 110 4.482 5.907 8.128 1.00 0.00 C ATOM 1093 CG LYS A 110 4.452 7.339 8.635 1.00 0.00 C ATOM 1094 CD LYS A 110 3.159 7.642 9.373 1.00 0.00 C ATOM 1095 CE LYS A 110 2.905 9.139 9.458 1.00 0.00 C ATOM 1096 NZ LYS A 110 1.538 9.442 9.967 1.00 0.00 N ATOM 0 H LYS A 110 5.370 7.312 6.296 1.00 0.00 H new ATOM 0 HA LYS A 110 6.612 5.628 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.624 5.743 7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.373 5.229 8.974 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.299 7.509 9.299 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.562 8.026 7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.326 7.159 8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.205 7.222 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.646 9.596 10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.033 9.586 8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.404 10.472 10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.830 9.027 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.424 9.038 10.919 1.00 0.00 H new ATOM 1110 N ALA A 111 4.619 3.826 6.102 1.00 0.00 N ATOM 1111 CA ALA A 111 4.424 2.494 5.544 1.00 0.00 C ATOM 1112 C ALA A 111 5.607 2.083 4.674 1.00 0.00 C ATOM 1113 O ALA A 111 5.959 0.906 4.606 1.00 0.00 O ATOM 1114 CB ALA A 111 3.132 2.442 4.741 1.00 0.00 C ATOM 0 H ALA A 111 3.883 4.493 5.868 1.00 0.00 H new ATOM 0 HA ALA A 111 4.354 1.788 6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.999 1.441 4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.290 2.682 5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.180 3.165 3.927 1.00 0.00 H new ATOM 1120 N GLN A 112 6.215 3.062 4.011 1.00 0.00 N ATOM 1121 CA GLN A 112 7.358 2.801 3.144 1.00 0.00 C ATOM 1122 C GLN A 112 8.494 2.148 3.923 1.00 0.00 C ATOM 1123 O GLN A 112 8.872 1.008 3.652 1.00 0.00 O ATOM 1124 CB GLN A 112 7.845 4.101 2.501 1.00 0.00 C ATOM 1125 CG GLN A 112 8.801 3.884 1.340 1.00 0.00 C ATOM 1126 CD GLN A 112 9.466 5.168 0.884 1.00 0.00 C ATOM 1127 OE1 GLN A 112 10.693 5.260 0.829 1.00 0.00 O ATOM 1128 NE2 GLN A 112 8.658 6.169 0.555 1.00 0.00 N ATOM 0 H GLN A 112 5.935 4.042 4.058 1.00 0.00 H new ATOM 0 HA GLN A 112 7.038 2.114 2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.983 4.668 2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.339 4.709 3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.567 3.167 1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.257 3.444 0.504 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.647 6.049 0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 112 9.048 7.058 0.242 1.00 0.00 H new ATOM 1137 N SER A 113 9.036 2.879 4.893 1.00 0.00 N ATOM 1138 CA SER A 113 10.133 2.372 5.709 1.00 0.00 C ATOM 1139 C SER A 113 9.635 1.323 6.698 1.00 0.00 C ATOM 1140 O SER A 113 10.398 0.473 7.155 1.00 0.00 O ATOM 1141 CB SER A 113 10.808 3.520 6.462 1.00 0.00 C ATOM 1142 OG SER A 113 11.291 4.505 5.565 1.00 0.00 O ATOM 0 H SER A 113 8.733 3.823 5.132 1.00 0.00 H new ATOM 0 HA SER A 113 10.861 1.904 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.098 3.972 7.155 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.633 3.132 7.059 1.00 0.00 H new ATOM 0 HG SER A 113 11.716 5.228 6.071 1.00 0.00 H new ATOM 1148 N ALA A 114 8.348 1.391 7.025 1.00 0.00 N ATOM 1149 CA ALA A 114 7.746 0.447 7.958 1.00 0.00 C ATOM 1150 C ALA A 114 7.594 -0.931 7.323 1.00 0.00 C ATOM 1151 O ALA A 114 7.690 -1.954 8.004 1.00 0.00 O ATOM 1152 CB ALA A 114 6.396 0.963 8.433 1.00 0.00 C ATOM 0 H ALA A 114 7.703 2.090 6.657 1.00 0.00 H new ATOM 0 HA ALA A 114 8.409 0.351 8.818 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.958 0.248 9.129 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.529 1.922 8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.733 1.089 7.577 1.00 0.00 H new ATOM 1158 N LEU A 115 7.356 -0.952 6.016 1.00 0.00 N ATOM 1159 CA LEU A 115 7.190 -2.206 5.289 1.00 0.00 C ATOM 1160 C LEU A 115 8.500 -2.634 4.635 1.00 0.00 C ATOM 1161 O LEU A 115 8.907 -3.792 4.735 1.00 0.00 O ATOM 1162 CB LEU A 115 6.100 -2.061 4.226 1.00 0.00 C ATOM 1163 CG LEU A 115 4.658 -2.148 4.728 1.00 0.00 C ATOM 1164 CD1 LEU A 115 3.698 -1.577 3.696 1.00 0.00 C ATOM 1165 CD2 LEU A 115 4.294 -3.588 5.058 1.00 0.00 C ATOM 0 H LEU A 115 7.274 -0.115 5.438 1.00 0.00 H new ATOM 0 HA LEU A 115 6.894 -2.975 6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.233 -1.101 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.249 -2.835 3.473 1.00 0.00 H new ATOM 0 HG LEU A 115 4.575 -1.555 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.677 -1.647 4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.945 -0.532 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.784 -2.142 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.265 -3.631 5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.395 -4.203 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.962 -3.963 5.834 1.00 0.00 H new ATOM 1177 N HIS A 116 9.157 -1.691 3.967 1.00 0.00 N ATOM 1178 CA HIS A 116 10.424 -1.970 3.298 1.00 0.00 C ATOM 1179 C HIS A 116 11.335 -2.808 4.189 1.00 0.00 C ATOM 1180 O HIS A 116 11.546 -2.483 5.357 1.00 0.00 O ATOM 1181 CB HIS A 116 11.122 -0.664 2.919 1.00 0.00 C ATOM 1182 CG HIS A 116 12.267 -0.851 1.971 1.00 0.00 C ATOM 1183 ND1 HIS A 116 12.109 -1.313 0.682 1.00 0.00 N ATOM 1184 CD2 HIS A 116 13.593 -0.633 2.131 1.00 0.00 C ATOM 1185 CE1 HIS A 116 13.289 -1.373 0.090 1.00 0.00 C ATOM 1186 NE2 HIS A 116 14.206 -0.965 0.948 1.00 0.00 N ATOM 0 H HIS A 116 8.834 -0.728 3.874 1.00 0.00 H new ATOM 0 HA HIS A 116 10.212 -2.536 2.391 1.00 0.00 H new ATOM 0 HB2 HIS A 116 10.394 0.010 2.468 1.00 0.00 H new ATOM 0 HB3 HIS A 116 11.486 -0.180 3.825 1.00 0.00 H new ATOM 0 HD2 HIS A 116 14.079 -0.266 3.023 1.00 0.00 H new ATOM 0 HE1 HIS A 116 13.472 -1.700 -0.923 1.00 0.00 H new ATOM 0 HE2 HIS A 116 15.207 -0.906 0.762 1.00 0.00 H new ATOM 1194 N GLU A 117 11.873 -3.887 3.629 1.00 0.00 N ATOM 1195 CA GLU A 117 12.760 -4.772 4.374 1.00 0.00 C ATOM 1196 C GLU A 117 12.320 -4.883 5.831 1.00 0.00 C ATOM 1197 O GLU A 117 13.141 -4.806 6.745 1.00 0.00 O ATOM 1198 CB GLU A 117 14.202 -4.264 4.303 1.00 0.00 C ATOM 1199 CG GLU A 117 14.776 -4.260 2.896 1.00 0.00 C ATOM 1200 CD GLU A 117 15.217 -5.638 2.442 1.00 0.00 C ATOM 1201 OE1 GLU A 117 16.306 -6.080 2.863 1.00 0.00 O ATOM 1202 OE2 GLU A 117 14.473 -6.273 1.666 1.00 0.00 O ATOM 0 H GLU A 117 11.710 -4.169 2.662 1.00 0.00 H new ATOM 0 HA GLU A 117 12.708 -5.762 3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 117 14.242 -3.252 4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.830 -4.886 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 117 14.027 -3.876 2.203 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.626 -3.579 2.856 1.00 0.00 H new ATOM 1209 N GLN A 118 11.020 -5.063 6.039 1.00 0.00 N ATOM 1210 CA GLN A 118 10.471 -5.183 7.384 1.00 0.00 C ATOM 1211 C GLN A 118 9.499 -6.355 7.473 1.00 0.00 C ATOM 1212 O GLN A 118 9.505 -7.108 8.447 1.00 0.00 O ATOM 1213 CB GLN A 118 9.764 -3.887 7.786 1.00 0.00 C ATOM 1214 CG GLN A 118 10.689 -2.861 8.420 1.00 0.00 C ATOM 1215 CD GLN A 118 9.974 -1.965 9.413 1.00 0.00 C ATOM 1216 OE1 GLN A 118 9.059 -2.400 10.112 1.00 0.00 O ATOM 1217 NE2 GLN A 118 10.389 -0.705 9.479 1.00 0.00 N ATOM 0 H GLN A 118 10.327 -5.129 5.293 1.00 0.00 H new ATOM 0 HA GLN A 118 11.297 -5.367 8.071 1.00 0.00 H new ATOM 0 HB2 GLN A 118 9.299 -3.448 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 118 8.962 -4.122 8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.506 -3.377 8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.135 -2.247 7.638 1.00 0.00 H new ATOM 0 HE21 GLN A 118 11.151 -0.387 8.881 1.00 0.00 H new ATOM 0 HE22 GLN A 118 9.945 -0.055 10.128 1.00 0.00 H new ATOM 1226 N LYS A 119 8.664 -6.503 6.451 1.00 0.00 N ATOM 1227 CA LYS A 119 7.686 -7.584 6.412 1.00 0.00 C ATOM 1228 C LYS A 119 7.980 -8.543 5.262 1.00 0.00 C ATOM 1229 O LYS A 119 8.629 -8.174 4.283 1.00 0.00 O ATOM 1230 CB LYS A 119 6.272 -7.016 6.267 1.00 0.00 C ATOM 1231 CG LYS A 119 5.178 -8.046 6.484 1.00 0.00 C ATOM 1232 CD LYS A 119 3.796 -7.437 6.307 1.00 0.00 C ATOM 1233 CE LYS A 119 3.321 -7.543 4.866 1.00 0.00 C ATOM 1234 NZ LYS A 119 3.787 -6.393 4.043 1.00 0.00 N ATOM 0 H LYS A 119 8.645 -5.888 5.638 1.00 0.00 H new ATOM 0 HA LYS A 119 7.755 -8.136 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.141 -6.203 6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.162 -6.586 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.307 -8.869 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.266 -8.466 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.088 -7.943 6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.817 -6.390 6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.686 -8.473 4.431 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.232 -7.587 4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.103 -6.737 3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.006 -5.719 3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.578 -5.919 4.525 1.00 0.00 H new ATOM 1248 N THR A 120 7.497 -9.775 5.387 1.00 0.00 N ATOM 1249 CA THR A 120 7.707 -10.786 4.358 1.00 0.00 C ATOM 1250 C THR A 120 6.441 -11.601 4.121 1.00 0.00 C ATOM 1251 O THR A 120 5.934 -12.259 5.031 1.00 0.00 O ATOM 1252 CB THR A 120 8.855 -11.741 4.735 1.00 0.00 C ATOM 1253 OG1 THR A 120 10.025 -10.989 5.078 1.00 0.00 O ATOM 1254 CG2 THR A 120 9.173 -12.686 3.587 1.00 0.00 C ATOM 0 H THR A 120 6.958 -10.097 6.191 1.00 0.00 H new ATOM 0 HA THR A 120 7.971 -10.255 3.443 1.00 0.00 H new ATOM 0 HB THR A 120 8.538 -12.332 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 120 10.750 -11.603 5.318 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.987 -13.350 3.877 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.289 -13.278 3.347 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.471 -12.108 2.712 1.00 0.00 H new ATOM 1262 N LEU A 121 5.934 -11.555 2.894 1.00 0.00 N ATOM 1263 CA LEU A 121 4.726 -12.290 2.537 1.00 0.00 C ATOM 1264 C LEU A 121 4.979 -13.794 2.555 1.00 0.00 C ATOM 1265 O LEU A 121 6.090 -14.265 2.309 1.00 0.00 O ATOM 1266 CB LEU A 121 4.234 -11.861 1.154 1.00 0.00 C ATOM 1267 CG LEU A 121 3.637 -10.456 1.060 1.00 0.00 C ATOM 1268 CD1 LEU A 121 3.376 -10.083 -0.391 1.00 0.00 C ATOM 1269 CD2 LEU A 121 2.355 -10.366 1.875 1.00 0.00 C ATOM 0 H LEU A 121 6.341 -11.016 2.129 1.00 0.00 H new ATOM 0 HA LEU A 121 3.959 -12.060 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.069 -11.927 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.483 -12.576 0.820 1.00 0.00 H new ATOM 0 HG LEU A 121 4.356 -9.748 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 121 2.951 -9.080 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.313 -10.107 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.676 -10.794 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.944 -9.360 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.630 -11.085 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.572 -10.589 2.920 1.00 0.00 H new ATOM 1281 N PRO A 122 3.925 -14.569 2.851 1.00 0.00 N ATOM 1282 CA PRO A 122 4.007 -16.031 2.906 1.00 0.00 C ATOM 1283 C PRO A 122 4.199 -16.653 1.527 1.00 0.00 C ATOM 1284 O PRO A 122 3.358 -16.499 0.643 1.00 0.00 O ATOM 1285 CB PRO A 122 2.654 -16.441 3.493 1.00 0.00 C ATOM 1286 CG PRO A 122 1.733 -15.324 3.138 1.00 0.00 C ATOM 1287 CD PRO A 122 2.571 -14.076 3.156 1.00 0.00 C ATOM 0 HA PRO A 122 4.861 -16.369 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 122 2.310 -17.386 3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 122 2.715 -16.576 4.573 1.00 0.00 H new ATOM 0 HG2 PRO A 122 1.289 -15.482 2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.912 -15.253 3.851 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.230 -13.353 2.415 1.00 0.00 H new ATOM 0 HD3 PRO A 122 2.533 -13.580 4.126 1.00 0.00 H new ATOM 1295 N GLY A 123 5.314 -17.356 1.350 1.00 0.00 N ATOM 1296 CA GLY A 123 5.597 -17.990 0.076 1.00 0.00 C ATOM 1297 C GLY A 123 6.857 -17.452 -0.573 1.00 0.00 C ATOM 1298 O GLY A 123 7.514 -18.152 -1.342 1.00 0.00 O ATOM 0 H GLY A 123 6.026 -17.497 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 123 5.699 -19.065 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 123 4.753 -17.839 -0.597 1.00 0.00 H new ATOM 1302 N MET A 124 7.193 -16.204 -0.264 1.00 0.00 N ATOM 1303 CA MET A 124 8.382 -15.572 -0.824 1.00 0.00 C ATOM 1304 C MET A 124 9.533 -15.598 0.177 1.00 0.00 C ATOM 1305 O MET A 124 9.412 -15.088 1.290 1.00 0.00 O ATOM 1306 CB MET A 124 8.077 -14.129 -1.230 1.00 0.00 C ATOM 1307 CG MET A 124 6.898 -14.002 -2.181 1.00 0.00 C ATOM 1308 SD MET A 124 7.258 -14.650 -3.825 1.00 0.00 S ATOM 1309 CE MET A 124 7.951 -13.201 -4.616 1.00 0.00 C ATOM 0 H MET A 124 6.659 -15.610 0.371 1.00 0.00 H new ATOM 0 HA MET A 124 8.679 -16.135 -1.709 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.875 -13.543 -0.333 1.00 0.00 H new ATOM 0 HB3 MET A 124 8.961 -13.698 -1.700 1.00 0.00 H new ATOM 0 HG2 MET A 124 6.042 -14.533 -1.765 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.613 -12.953 -2.263 1.00 0.00 H new ATOM 0 HE1 MET A 124 8.353 -13.476 -5.591 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.173 -12.449 -4.744 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.750 -12.795 -3.995 1.00 0.00 H new ATOM 1319 N ASN A 125 10.649 -16.196 -0.227 1.00 0.00 N ATOM 1320 CA ASN A 125 11.822 -16.289 0.635 1.00 0.00 C ATOM 1321 C ASN A 125 12.318 -14.902 1.031 1.00 0.00 C ATOM 1322 O ASN A 125 12.767 -14.690 2.157 1.00 0.00 O ATOM 1323 CB ASN A 125 12.939 -17.061 -0.069 1.00 0.00 C ATOM 1324 CG ASN A 125 12.471 -18.404 -0.596 1.00 0.00 C ATOM 1325 OD1 ASN A 125 11.381 -18.518 -1.156 1.00 0.00 O ATOM 1326 ND2 ASN A 125 13.296 -19.429 -0.418 1.00 0.00 N ATOM 0 H ASN A 125 10.766 -16.623 -1.146 1.00 0.00 H new ATOM 0 HA ASN A 125 11.535 -16.824 1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 125 13.324 -16.464 -0.895 1.00 0.00 H new ATOM 0 HB3 ASN A 125 13.765 -17.214 0.626 1.00 0.00 H new ATOM 0 HD21 ASN A 125 13.035 -20.357 -0.751 1.00 0.00 H new ATOM 0 HD22 ASN A 125 14.190 -19.288 0.052 1.00 0.00 H new ATOM 1333 N ARG A 126 12.232 -13.961 0.096 1.00 0.00 N ATOM 1334 CA ARG A 126 12.673 -12.594 0.346 1.00 0.00 C ATOM 1335 C ARG A 126 11.515 -11.731 0.842 1.00 0.00 C ATOM 1336 O ARG A 126 10.344 -12.019 0.592 1.00 0.00 O ATOM 1337 CB ARG A 126 13.268 -11.986 -0.925 1.00 0.00 C ATOM 1338 CG ARG A 126 14.727 -12.347 -1.148 1.00 0.00 C ATOM 1339 CD ARG A 126 15.646 -11.533 -0.250 1.00 0.00 C ATOM 1340 NE ARG A 126 15.696 -10.129 -0.648 1.00 0.00 N ATOM 1341 CZ ARG A 126 16.301 -9.699 -1.750 1.00 0.00 C ATOM 1342 NH1 ARG A 126 16.902 -10.560 -2.559 1.00 0.00 N ATOM 1343 NH2 ARG A 126 16.304 -8.405 -2.044 1.00 0.00 N ATOM 0 H ARG A 126 11.861 -14.120 -0.841 1.00 0.00 H new ATOM 0 HA ARG A 126 13.440 -12.623 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.685 -12.318 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.174 -10.901 -0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.874 -13.409 -0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.990 -12.175 -2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.302 -11.605 0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 126 16.651 -11.955 -0.281 1.00 0.00 H new ATOM 0 HE ARG A 126 15.242 -9.441 -0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.901 -11.555 -2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.366 -10.227 -3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.842 -7.740 -1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.769 -8.075 -2.890 1.00 0.00 H new ATOM 1357 N PRO A 127 11.849 -10.649 1.561 1.00 0.00 N ATOM 1358 CA PRO A 127 10.852 -9.723 2.106 1.00 0.00 C ATOM 1359 C PRO A 127 10.161 -8.909 1.018 1.00 0.00 C ATOM 1360 O PRO A 127 10.395 -9.121 -0.172 1.00 0.00 O ATOM 1361 CB PRO A 127 11.676 -8.810 3.016 1.00 0.00 C ATOM 1362 CG PRO A 127 13.055 -8.860 2.454 1.00 0.00 C ATOM 1363 CD PRO A 127 13.225 -10.246 1.896 1.00 0.00 C ATOM 0 HA PRO A 127 10.048 -10.247 2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 127 11.285 -7.793 3.015 1.00 0.00 H new ATOM 0 HB3 PRO A 127 11.656 -9.158 4.049 1.00 0.00 H new ATOM 0 HG2 PRO A 127 13.187 -8.107 1.677 1.00 0.00 H new ATOM 0 HG3 PRO A 127 13.798 -8.656 3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 127 13.870 -10.249 1.017 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.675 -10.920 2.625 1.00 0.00 H new ATOM 1371 N ILE A 128 9.310 -7.976 1.433 1.00 0.00 N ATOM 1372 CA ILE A 128 8.587 -7.129 0.493 1.00 0.00 C ATOM 1373 C ILE A 128 9.278 -5.780 0.325 1.00 0.00 C ATOM 1374 O ILE A 128 9.767 -5.198 1.293 1.00 0.00 O ATOM 1375 CB ILE A 128 7.134 -6.896 0.948 1.00 0.00 C ATOM 1376 CG1 ILE A 128 6.337 -6.197 -0.156 1.00 0.00 C ATOM 1377 CG2 ILE A 128 7.105 -6.077 2.230 1.00 0.00 C ATOM 1378 CD1 ILE A 128 4.839 -6.345 -0.006 1.00 0.00 C ATOM 0 H ILE A 128 9.105 -7.788 2.414 1.00 0.00 H new ATOM 0 HA ILE A 128 8.580 -7.653 -0.463 1.00 0.00 H new ATOM 0 HB ILE A 128 6.672 -7.863 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.591 -5.137 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 128 6.639 -6.601 -1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 128 6.071 -5.921 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 128 7.641 -6.610 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 128 7.581 -5.112 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 128 4.338 -5.825 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 128 4.573 -7.402 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 128 4.524 -5.915 0.945 1.00 0.00 H new ATOM 1390 N GLN A 129 9.312 -5.289 -0.909 1.00 0.00 N ATOM 1391 CA GLN A 129 9.942 -4.007 -1.204 1.00 0.00 C ATOM 1392 C GLN A 129 8.893 -2.923 -1.427 1.00 0.00 C ATOM 1393 O GLN A 129 7.913 -3.131 -2.143 1.00 0.00 O ATOM 1394 CB GLN A 129 10.839 -4.127 -2.437 1.00 0.00 C ATOM 1395 CG GLN A 129 12.249 -4.597 -2.120 1.00 0.00 C ATOM 1396 CD GLN A 129 13.192 -4.452 -3.299 1.00 0.00 C ATOM 1397 OE1 GLN A 129 12.768 -4.484 -4.455 1.00 0.00 O ATOM 1398 NE2 GLN A 129 14.478 -4.291 -3.013 1.00 0.00 N ATOM 0 H GLN A 129 8.911 -5.759 -1.721 1.00 0.00 H new ATOM 0 HA GLN A 129 10.552 -3.725 -0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 129 10.383 -4.823 -3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 129 10.891 -3.158 -2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 129 12.637 -4.026 -1.277 1.00 0.00 H new ATOM 0 HG3 GLN A 129 12.219 -5.642 -1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 129 14.786 -4.270 -2.041 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.159 -4.188 -3.766 1.00 0.00 H new ATOM 1407 N VAL A 130 9.104 -1.765 -0.808 1.00 0.00 N ATOM 1408 CA VAL A 130 8.177 -0.648 -0.940 1.00 0.00 C ATOM 1409 C VAL A 130 8.925 0.670 -1.105 1.00 0.00 C ATOM 1410 O VAL A 130 9.580 1.146 -0.177 1.00 0.00 O ATOM 1411 CB VAL A 130 7.244 -0.547 0.281 1.00 0.00 C ATOM 1412 CG1 VAL A 130 6.245 0.587 0.098 1.00 0.00 C ATOM 1413 CG2 VAL A 130 6.526 -1.868 0.514 1.00 0.00 C ATOM 0 H VAL A 130 9.909 -1.577 -0.210 1.00 0.00 H new ATOM 0 HA VAL A 130 7.578 -0.836 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 130 7.849 -0.328 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.594 0.643 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 130 6.781 1.529 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 130 5.643 0.402 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 130 5.871 -1.778 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 130 5.932 -2.119 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.259 -2.654 0.693 1.00 0.00 H new ATOM 1423 N LYS A 131 8.822 1.257 -2.292 1.00 0.00 N ATOM 1424 CA LYS A 131 9.487 2.523 -2.580 1.00 0.00 C ATOM 1425 C LYS A 131 8.629 3.392 -3.494 1.00 0.00 C ATOM 1426 O LYS A 131 7.817 2.899 -4.277 1.00 0.00 O ATOM 1427 CB LYS A 131 10.849 2.270 -3.230 1.00 0.00 C ATOM 1428 CG LYS A 131 11.689 1.236 -2.501 1.00 0.00 C ATOM 1429 CD LYS A 131 13.175 1.512 -2.659 1.00 0.00 C ATOM 1430 CE LYS A 131 13.616 2.694 -1.810 1.00 0.00 C ATOM 1431 NZ LYS A 131 14.964 3.189 -2.205 1.00 0.00 N ATOM 0 H LYS A 131 8.284 0.877 -3.071 1.00 0.00 H new ATOM 0 HA LYS A 131 9.633 3.051 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 131 10.696 1.942 -4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 131 11.401 3.209 -3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 131 11.429 1.235 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.460 0.242 -2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 131 13.743 0.626 -2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 131 13.400 1.711 -3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.890 3.501 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 131 13.630 2.402 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 15.228 3.995 -1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 15.662 2.426 -2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.945 3.492 -3.200 1.00 0.00 H new ATOM 1445 N PRO A 132 8.813 4.717 -3.395 1.00 0.00 N ATOM 1446 CA PRO A 132 8.066 5.683 -4.207 1.00 0.00 C ATOM 1447 C PRO A 132 8.469 5.638 -5.677 1.00 0.00 C ATOM 1448 O PRO A 132 9.650 5.734 -6.010 1.00 0.00 O ATOM 1449 CB PRO A 132 8.444 7.032 -3.589 1.00 0.00 C ATOM 1450 CG PRO A 132 9.773 6.801 -2.959 1.00 0.00 C ATOM 1451 CD PRO A 132 9.764 5.375 -2.483 1.00 0.00 C ATOM 0 HA PRO A 132 6.995 5.481 -4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.496 7.814 -4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.707 7.350 -2.852 1.00 0.00 H new ATOM 0 HG2 PRO A 132 10.578 6.968 -3.674 1.00 0.00 H new ATOM 0 HG3 PRO A 132 9.936 7.488 -2.129 1.00 0.00 H new ATOM 0 HD2 PRO A 132 10.755 4.925 -2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 132 9.442 5.300 -1.444 1.00 0.00 H new ATOM 1459 N ALA A 133 7.480 5.493 -6.552 1.00 0.00 N ATOM 1460 CA ALA A 133 7.731 5.438 -7.987 1.00 0.00 C ATOM 1461 C ALA A 133 8.329 6.748 -8.489 1.00 0.00 C ATOM 1462 O ALA A 133 7.604 7.663 -8.880 1.00 0.00 O ATOM 1463 CB ALA A 133 6.445 5.121 -8.736 1.00 0.00 C ATOM 0 H ALA A 133 6.497 5.411 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 133 8.453 4.643 -8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 133 6.647 5.083 -9.806 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.060 4.157 -8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 133 5.706 5.896 -8.534 1.00 0.00 H new