USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=17 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 Single : A 55 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0082) USER MOD Single : A 60 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.053) USER MOD Single : A 64 ASN : amide:sc= -2.78 K(o=-2.8,f=-5.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0362) USER MOD Single : A 79 LYS NZ :NH3+ -156:sc= -0.0931 (180deg=-0.517) 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+ 180:sc= 0 (180deg=0) 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 HD1:sc= -2.25 K(o=-2.2,f=-3.3!) USER MOD Single : A 95 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.178) USER MOD Single : A 97 CYS SG : rot 180:sc= -0.91 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -1:sc= -0.916 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.0411 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -5.13! C(o=-5.1!,f=-12!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.602! C(o=-0.6!,f=-7.5!) USER MOD Single : A 118 GLN : amide:sc= -0.768 K(o=-0.77,f=-2.4!) USER MOD Single : A 119 LYS NZ :NH3+ -161:sc= -3.85! (180deg=-4.89!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -146:sc=-0.00434 (180deg=-0.316) USER MOD Single : A 125 ASN : amide:sc= -0.0449 X(o=-0.045,f=0) USER MOD Single : A 129 GLN : amide:sc= -0.0192 K(o=-0.019,f=-0.99) USER MOD Single : A 131 LYS NZ :NH3+ -166:sc= -0.481 (180deg=-0.642) USER MOD ----------------------------------------------------------------- ATOM 156 N ILE A 54 2.373 10.903 -3.547 1.00 0.00 N ATOM 157 CA ILE A 54 3.505 10.017 -3.786 1.00 0.00 C ATOM 158 C ILE A 54 3.036 8.611 -4.145 1.00 0.00 C ATOM 159 O ILE A 54 2.477 7.899 -3.311 1.00 0.00 O ATOM 160 CB ILE A 54 4.429 9.939 -2.556 1.00 0.00 C ATOM 161 CG1 ILE A 54 5.172 11.263 -2.365 1.00 0.00 C ATOM 162 CG2 ILE A 54 5.414 8.790 -2.705 1.00 0.00 C ATOM 163 CD1 ILE A 54 6.097 11.270 -1.168 1.00 0.00 C ATOM 0 HA ILE A 54 4.063 10.437 -4.623 1.00 0.00 H new ATOM 0 HB ILE A 54 3.818 9.755 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.751 11.478 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.444 12.067 -2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.060 8.748 -1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.867 7.852 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.022 8.945 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.590 12.239 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.520 11.087 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.848 10.489 -1.284 1.00 0.00 H new ATOM 175 N LYS A 55 3.270 8.215 -5.392 1.00 0.00 N ATOM 176 CA LYS A 55 2.876 6.893 -5.862 1.00 0.00 C ATOM 177 C LYS A 55 3.889 5.837 -5.431 1.00 0.00 C ATOM 178 O LYS A 55 4.975 5.734 -6.004 1.00 0.00 O ATOM 179 CB LYS A 55 2.738 6.892 -7.386 1.00 0.00 C ATOM 180 CG LYS A 55 2.205 5.585 -7.948 1.00 0.00 C ATOM 181 CD LYS A 55 2.760 5.306 -9.335 1.00 0.00 C ATOM 182 CE LYS A 55 1.769 4.526 -10.185 1.00 0.00 C ATOM 183 NZ LYS A 55 0.672 5.395 -10.695 1.00 0.00 N ATOM 0 H LYS A 55 3.731 8.792 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 55 1.912 6.648 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.073 7.703 -7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.711 7.099 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.468 4.766 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.117 5.624 -7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.001 6.248 -9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.690 4.743 -9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.292 4.070 -11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.345 3.714 -9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.164 4.812 -10.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.428 6.104 -9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.985 5.876 -11.562 1.00 0.00 H new ATOM 197 N LEU A 56 3.527 5.055 -4.421 1.00 0.00 N ATOM 198 CA LEU A 56 4.405 4.005 -3.914 1.00 0.00 C ATOM 199 C LEU A 56 4.375 2.783 -4.827 1.00 0.00 C ATOM 200 O LEU A 56 3.409 2.564 -5.558 1.00 0.00 O ATOM 201 CB LEU A 56 3.990 3.607 -2.497 1.00 0.00 C ATOM 202 CG LEU A 56 4.215 4.660 -1.411 1.00 0.00 C ATOM 203 CD1 LEU A 56 3.646 4.186 -0.082 1.00 0.00 C ATOM 204 CD2 LEU A 56 5.697 4.978 -1.275 1.00 0.00 C ATOM 0 H LEU A 56 2.632 5.127 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 56 5.423 4.395 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.931 3.347 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.536 2.705 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 56 3.693 5.572 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.815 4.948 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.576 4.009 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.139 3.260 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.838 5.729 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.240 4.072 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.075 5.361 -2.223 1.00 0.00 H new ATOM 216 N PHE A 57 5.440 1.989 -4.778 1.00 0.00 N ATOM 217 CA PHE A 57 5.536 0.788 -5.600 1.00 0.00 C ATOM 218 C PHE A 57 5.907 -0.424 -4.750 1.00 0.00 C ATOM 219 O PHE A 57 6.961 -0.451 -4.115 1.00 0.00 O ATOM 220 CB PHE A 57 6.572 0.984 -6.708 1.00 0.00 C ATOM 221 CG PHE A 57 7.156 -0.302 -7.217 1.00 0.00 C ATOM 222 CD1 PHE A 57 6.538 -1.003 -8.240 1.00 0.00 C ATOM 223 CD2 PHE A 57 8.324 -0.811 -6.672 1.00 0.00 C ATOM 224 CE1 PHE A 57 7.074 -2.188 -8.710 1.00 0.00 C ATOM 225 CE2 PHE A 57 8.865 -1.995 -7.138 1.00 0.00 C ATOM 226 CZ PHE A 57 8.238 -2.684 -8.158 1.00 0.00 C ATOM 0 H PHE A 57 6.248 2.155 -4.178 1.00 0.00 H new ATOM 0 HA PHE A 57 4.561 0.608 -6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.108 1.517 -7.538 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.377 1.616 -6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.627 -0.619 -8.675 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.818 -0.277 -5.874 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.583 -2.725 -9.508 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.776 -2.381 -6.705 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.658 -3.610 -8.523 1.00 0.00 H new ATOM 236 N ILE A 58 5.032 -1.425 -4.744 1.00 0.00 N ATOM 237 CA ILE A 58 5.268 -2.639 -3.973 1.00 0.00 C ATOM 238 C ILE A 58 5.636 -3.806 -4.884 1.00 0.00 C ATOM 239 O ILE A 58 5.033 -3.997 -5.939 1.00 0.00 O ATOM 240 CB ILE A 58 4.033 -3.025 -3.138 1.00 0.00 C ATOM 241 CG1 ILE A 58 3.381 -1.774 -2.545 1.00 0.00 C ATOM 242 CG2 ILE A 58 4.421 -3.999 -2.036 1.00 0.00 C ATOM 243 CD1 ILE A 58 4.304 -0.979 -1.648 1.00 0.00 C ATOM 0 H ILE A 58 4.154 -1.419 -5.264 1.00 0.00 H new ATOM 0 HA ILE A 58 6.100 -2.429 -3.301 1.00 0.00 H new ATOM 0 HB ILE A 58 3.310 -3.515 -3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.037 -1.134 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.499 -2.069 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.537 -4.262 -1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.845 -4.900 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.159 -3.534 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.775 -0.107 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.629 -1.603 -0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.174 -0.654 -2.218 1.00 0.00 H new ATOM 255 N GLY A 59 6.629 -4.585 -4.467 1.00 0.00 N ATOM 256 CA GLY A 59 7.060 -5.724 -5.257 1.00 0.00 C ATOM 257 C GLY A 59 7.119 -7.003 -4.444 1.00 0.00 C ATOM 258 O GLY A 59 6.744 -7.018 -3.272 1.00 0.00 O ATOM 0 H GLY A 59 7.143 -4.448 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.377 -5.861 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.044 -5.519 -5.678 1.00 0.00 H new ATOM 262 N GLN A 60 7.591 -8.077 -5.068 1.00 0.00 N ATOM 263 CA GLN A 60 7.696 -9.366 -4.396 1.00 0.00 C ATOM 264 C GLN A 60 6.336 -9.822 -3.877 1.00 0.00 C ATOM 265 O GLN A 60 6.178 -10.111 -2.691 1.00 0.00 O ATOM 266 CB GLN A 60 8.694 -9.282 -3.239 1.00 0.00 C ATOM 267 CG GLN A 60 10.136 -9.511 -3.662 1.00 0.00 C ATOM 268 CD GLN A 60 10.701 -8.351 -4.458 1.00 0.00 C ATOM 269 OE1 GLN A 60 10.685 -8.362 -5.689 1.00 0.00 O ATOM 270 NE2 GLN A 60 11.206 -7.342 -3.757 1.00 0.00 N ATOM 0 H GLN A 60 7.907 -8.080 -6.038 1.00 0.00 H new ATOM 0 HA GLN A 60 8.052 -10.097 -5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.613 -8.301 -2.771 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.424 -10.020 -2.483 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.750 -9.672 -2.776 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.195 -10.420 -4.260 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.198 -7.375 -2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.601 -6.534 -4.238 1.00 0.00 H new ATOM 279 N ILE A 61 5.357 -9.883 -4.774 1.00 0.00 N ATOM 280 CA ILE A 61 4.011 -10.304 -4.406 1.00 0.00 C ATOM 281 C ILE A 61 3.533 -11.451 -5.290 1.00 0.00 C ATOM 282 O ILE A 61 3.516 -11.357 -6.517 1.00 0.00 O ATOM 283 CB ILE A 61 3.008 -9.139 -4.511 1.00 0.00 C ATOM 284 CG1 ILE A 61 3.396 -8.016 -3.546 1.00 0.00 C ATOM 285 CG2 ILE A 61 1.597 -9.628 -4.223 1.00 0.00 C ATOM 286 CD1 ILE A 61 2.607 -6.742 -3.755 1.00 0.00 C ATOM 0 H ILE A 61 5.471 -9.646 -5.760 1.00 0.00 H new ATOM 0 HA ILE A 61 4.058 -10.641 -3.370 1.00 0.00 H new ATOM 0 HB ILE A 61 3.035 -8.745 -5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.250 -8.361 -2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.458 -7.799 -3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.900 -8.794 -4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.324 -10.398 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.554 -10.044 -3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.934 -5.990 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.772 -6.374 -4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.546 -6.944 -3.611 1.00 0.00 H new ATOM 298 N PRO A 62 3.134 -12.562 -4.653 1.00 0.00 N ATOM 299 CA PRO A 62 2.646 -13.749 -5.361 1.00 0.00 C ATOM 300 C PRO A 62 1.288 -13.517 -6.014 1.00 0.00 C ATOM 301 O PRO A 62 0.540 -12.625 -5.613 1.00 0.00 O ATOM 302 CB PRO A 62 2.535 -14.802 -4.255 1.00 0.00 C ATOM 303 CG PRO A 62 2.349 -14.017 -3.003 1.00 0.00 C ATOM 304 CD PRO A 62 3.127 -12.745 -3.191 1.00 0.00 C ATOM 0 HA PRO A 62 3.308 -14.037 -6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.694 -15.473 -4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.431 -15.420 -4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.294 -13.807 -2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.711 -14.572 -2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.653 -11.905 -2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.138 -12.829 -2.792 1.00 0.00 H new ATOM 312 N ARG A 63 0.974 -14.326 -7.021 1.00 0.00 N ATOM 313 CA ARG A 63 -0.294 -14.208 -7.729 1.00 0.00 C ATOM 314 C ARG A 63 -1.423 -14.862 -6.937 1.00 0.00 C ATOM 315 O ARG A 63 -2.270 -15.553 -7.500 1.00 0.00 O ATOM 316 CB ARG A 63 -0.191 -14.850 -9.114 1.00 0.00 C ATOM 317 CG ARG A 63 -1.382 -14.555 -10.012 1.00 0.00 C ATOM 318 CD ARG A 63 -1.610 -15.671 -11.019 1.00 0.00 C ATOM 319 NE ARG A 63 -2.637 -15.324 -11.998 1.00 0.00 N ATOM 320 CZ ARG A 63 -3.191 -16.203 -12.825 1.00 0.00 C ATOM 321 NH1 ARG A 63 -2.819 -17.476 -12.792 1.00 0.00 N ATOM 322 NH2 ARG A 63 -4.119 -15.811 -13.688 1.00 0.00 N ATOM 0 H ARG A 63 1.581 -15.070 -7.364 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.520 -13.148 -7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.718 -14.497 -9.602 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.092 -15.929 -8.998 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.276 -14.426 -9.402 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.217 -13.615 -10.539 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.676 -15.889 -11.536 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.903 -16.580 -10.493 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.946 -14.353 -12.049 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.106 -17.782 -12.130 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.246 -18.149 -13.428 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.408 -14.833 -13.717 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.544 -16.487 -14.323 1.00 0.00 H new ATOM 336 N ASN A 64 -1.425 -14.639 -5.626 1.00 0.00 N ATOM 337 CA ASN A 64 -2.448 -15.208 -4.756 1.00 0.00 C ATOM 338 C ASN A 64 -3.096 -14.125 -3.899 1.00 0.00 C ATOM 339 O ASN A 64 -3.934 -14.413 -3.044 1.00 0.00 O ATOM 340 CB ASN A 64 -1.841 -16.289 -3.859 1.00 0.00 C ATOM 341 CG ASN A 64 -1.319 -15.728 -2.551 1.00 0.00 C ATOM 342 OD1 ASN A 64 -0.138 -15.401 -2.430 1.00 0.00 O ATOM 343 ND2 ASN A 64 -2.199 -15.615 -1.563 1.00 0.00 N ATOM 0 H ASN A 64 -0.730 -14.069 -5.144 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.216 -15.657 -5.385 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.594 -17.049 -3.651 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.027 -16.783 -4.390 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.906 -15.245 -0.659 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.168 -15.898 -1.708 1.00 0.00 H new ATOM 350 N LEU A 65 -2.703 -12.878 -4.134 1.00 0.00 N ATOM 351 CA LEU A 65 -3.246 -11.750 -3.384 1.00 0.00 C ATOM 352 C LEU A 65 -4.300 -11.010 -4.201 1.00 0.00 C ATOM 353 O LEU A 65 -4.480 -11.278 -5.389 1.00 0.00 O ATOM 354 CB LEU A 65 -2.124 -10.789 -2.987 1.00 0.00 C ATOM 355 CG LEU A 65 -1.025 -11.372 -2.097 1.00 0.00 C ATOM 356 CD1 LEU A 65 -0.050 -10.284 -1.672 1.00 0.00 C ATOM 357 CD2 LEU A 65 -1.630 -12.055 -0.880 1.00 0.00 C ATOM 0 H LEU A 65 -2.010 -12.622 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.719 -12.139 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.662 -10.406 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.568 -9.937 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.476 -12.119 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.725 -10.717 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.409 -9.841 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.584 -9.514 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.833 -12.464 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.204 -11.330 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.287 -12.862 -1.205 1.00 0.00 H new ATOM 369 N ASP A 66 -4.991 -10.076 -3.557 1.00 0.00 N ATOM 370 CA ASP A 66 -6.025 -9.293 -4.225 1.00 0.00 C ATOM 371 C ASP A 66 -5.978 -7.836 -3.776 1.00 0.00 C ATOM 372 O ASP A 66 -5.451 -7.522 -2.710 1.00 0.00 O ATOM 373 CB ASP A 66 -7.406 -9.884 -3.938 1.00 0.00 C ATOM 374 CG ASP A 66 -7.444 -11.388 -4.129 1.00 0.00 C ATOM 375 OD1 ASP A 66 -6.878 -11.873 -5.131 1.00 0.00 O ATOM 376 OD2 ASP A 66 -8.038 -12.079 -3.276 1.00 0.00 O ATOM 0 H ASP A 66 -4.854 -9.842 -2.574 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.838 -9.330 -5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.695 -9.643 -2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.141 -9.419 -4.595 1.00 0.00 H new ATOM 381 N GLU A 67 -6.532 -6.951 -4.599 1.00 0.00 N ATOM 382 CA GLU A 67 -6.552 -5.527 -4.287 1.00 0.00 C ATOM 383 C GLU A 67 -7.271 -5.269 -2.966 1.00 0.00 C ATOM 384 O GLU A 67 -6.824 -4.463 -2.150 1.00 0.00 O ATOM 385 CB GLU A 67 -7.232 -4.745 -5.412 1.00 0.00 C ATOM 386 CG GLU A 67 -6.296 -4.375 -6.550 1.00 0.00 C ATOM 387 CD GLU A 67 -7.035 -4.057 -7.835 1.00 0.00 C ATOM 388 OE1 GLU A 67 -7.723 -3.016 -7.882 1.00 0.00 O ATOM 389 OE2 GLU A 67 -6.926 -4.849 -8.794 1.00 0.00 O ATOM 0 H GLU A 67 -6.972 -7.195 -5.486 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.520 -5.188 -4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.056 -5.339 -5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.666 -3.834 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.697 -3.513 -6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.604 -5.198 -6.728 1.00 0.00 H new ATOM 396 N LYS A 68 -8.388 -5.959 -2.763 1.00 0.00 N ATOM 397 CA LYS A 68 -9.171 -5.807 -1.542 1.00 0.00 C ATOM 398 C LYS A 68 -8.474 -6.478 -0.362 1.00 0.00 C ATOM 399 O LYS A 68 -8.736 -6.148 0.794 1.00 0.00 O ATOM 400 CB LYS A 68 -10.567 -6.403 -1.730 1.00 0.00 C ATOM 401 CG LYS A 68 -11.427 -6.343 -0.479 1.00 0.00 C ATOM 402 CD LYS A 68 -12.015 -4.957 -0.272 1.00 0.00 C ATOM 403 CE LYS A 68 -12.222 -4.655 1.204 1.00 0.00 C ATOM 404 NZ LYS A 68 -12.485 -3.209 1.442 1.00 0.00 N ATOM 0 H LYS A 68 -8.772 -6.630 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.263 -4.742 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.074 -5.872 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.470 -7.442 -2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.233 -7.073 -0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.828 -6.618 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.351 -4.210 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.967 -4.882 -0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.058 -5.243 1.581 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.339 -4.961 1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.621 -3.044 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.676 -2.649 1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.342 -2.923 0.928 1.00 0.00 H new ATOM 418 N ASP A 69 -7.586 -7.419 -0.663 1.00 0.00 N ATOM 419 CA ASP A 69 -6.850 -8.134 0.373 1.00 0.00 C ATOM 420 C ASP A 69 -5.548 -7.414 0.711 1.00 0.00 C ATOM 421 O ASP A 69 -4.941 -7.662 1.753 1.00 0.00 O ATOM 422 CB ASP A 69 -6.553 -9.565 -0.078 1.00 0.00 C ATOM 423 CG ASP A 69 -7.663 -10.530 0.290 1.00 0.00 C ATOM 424 OD1 ASP A 69 -7.660 -11.028 1.435 1.00 0.00 O ATOM 425 OD2 ASP A 69 -8.534 -10.789 -0.568 1.00 0.00 O ATOM 0 H ASP A 69 -7.358 -7.704 -1.615 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.470 -8.164 1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.406 -9.579 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.620 -9.899 0.375 1.00 0.00 H new ATOM 430 N LEU A 70 -5.124 -6.522 -0.178 1.00 0.00 N ATOM 431 CA LEU A 70 -3.893 -5.766 0.025 1.00 0.00 C ATOM 432 C LEU A 70 -4.196 -4.356 0.522 1.00 0.00 C ATOM 433 O LEU A 70 -3.477 -3.814 1.362 1.00 0.00 O ATOM 434 CB LEU A 70 -3.093 -5.698 -1.277 1.00 0.00 C ATOM 435 CG LEU A 70 -2.264 -6.937 -1.620 1.00 0.00 C ATOM 436 CD1 LEU A 70 -1.736 -6.848 -3.044 1.00 0.00 C ATOM 437 CD2 LEU A 70 -1.117 -7.101 -0.634 1.00 0.00 C ATOM 0 H LEU A 70 -5.614 -6.305 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.301 -6.280 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.786 -5.511 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.423 -4.840 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.908 -7.813 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.149 -7.738 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.573 -6.779 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.107 -5.963 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.538 -7.987 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.473 -6.222 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.517 -7.211 0.374 1.00 0.00 H new ATOM 449 N LYS A 71 -5.267 -3.767 0.000 1.00 0.00 N ATOM 450 CA LYS A 71 -5.668 -2.422 0.393 1.00 0.00 C ATOM 451 C LYS A 71 -5.789 -2.311 1.910 1.00 0.00 C ATOM 452 O LYS A 71 -5.335 -1.345 2.524 1.00 0.00 O ATOM 453 CB LYS A 71 -7.001 -2.053 -0.263 1.00 0.00 C ATOM 454 CG LYS A 71 -7.245 -0.556 -0.345 1.00 0.00 C ATOM 455 CD LYS A 71 -7.789 -0.007 0.963 1.00 0.00 C ATOM 456 CE LYS A 71 -8.284 1.422 0.805 1.00 0.00 C ATOM 457 NZ LYS A 71 -9.584 1.482 0.083 1.00 0.00 N ATOM 0 H LYS A 71 -5.873 -4.201 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.899 -1.728 0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.030 -2.473 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.813 -2.515 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.314 -0.048 -0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.949 -0.345 -1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.605 -0.639 1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.010 -0.041 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.393 1.879 1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.540 2.006 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.954 2.454 0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.445 1.196 -0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.263 0.839 0.537 1.00 0.00 H new ATOM 471 N PRO A 72 -6.414 -3.323 2.530 1.00 0.00 N ATOM 472 CA PRO A 72 -6.607 -3.362 3.983 1.00 0.00 C ATOM 473 C PRO A 72 -5.325 -3.048 4.746 1.00 0.00 C ATOM 474 O PRO A 72 -5.249 -2.052 5.468 1.00 0.00 O ATOM 475 CB PRO A 72 -7.044 -4.806 4.243 1.00 0.00 C ATOM 476 CG PRO A 72 -7.667 -5.250 2.965 1.00 0.00 C ATOM 477 CD PRO A 72 -6.981 -4.506 1.861 1.00 0.00 C ATOM 0 HA PRO A 72 -7.328 -2.617 4.319 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.194 -5.435 4.508 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.753 -4.862 5.069 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.553 -6.326 2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.737 -5.041 2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.204 -5.111 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.681 -4.223 1.075 1.00 0.00 H new ATOM 485 N LEU A 73 -4.320 -3.901 4.583 1.00 0.00 N ATOM 486 CA LEU A 73 -3.040 -3.713 5.257 1.00 0.00 C ATOM 487 C LEU A 73 -2.636 -2.242 5.259 1.00 0.00 C ATOM 488 O LEU A 73 -2.653 -1.584 6.299 1.00 0.00 O ATOM 489 CB LEU A 73 -1.955 -4.551 4.576 1.00 0.00 C ATOM 490 CG LEU A 73 -2.009 -6.057 4.836 1.00 0.00 C ATOM 491 CD1 LEU A 73 -1.058 -6.793 3.905 1.00 0.00 C ATOM 492 CD2 LEU A 73 -1.676 -6.360 6.290 1.00 0.00 C ATOM 0 H LEU A 73 -4.367 -4.730 3.990 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.150 -4.042 6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.018 -4.386 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.982 -4.181 4.899 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.023 -6.405 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.110 -7.863 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.342 -6.602 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.040 -6.441 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.719 -7.436 6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.673 -5.998 6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.397 -5.863 6.939 1.00 0.00 H new ATOM 504 N PHE A 74 -2.275 -1.732 4.086 1.00 0.00 N ATOM 505 CA PHE A 74 -1.868 -0.338 3.952 1.00 0.00 C ATOM 506 C PHE A 74 -2.884 0.591 4.608 1.00 0.00 C ATOM 507 O PHE A 74 -2.527 1.445 5.419 1.00 0.00 O ATOM 508 CB PHE A 74 -1.704 0.028 2.475 1.00 0.00 C ATOM 509 CG PHE A 74 -0.602 -0.727 1.789 1.00 0.00 C ATOM 510 CD1 PHE A 74 0.718 -0.325 1.922 1.00 0.00 C ATOM 511 CD2 PHE A 74 -0.885 -1.838 1.011 1.00 0.00 C ATOM 512 CE1 PHE A 74 1.735 -1.018 1.292 1.00 0.00 C ATOM 513 CE2 PHE A 74 0.128 -2.534 0.379 1.00 0.00 C ATOM 514 CZ PHE A 74 1.439 -2.123 0.519 1.00 0.00 C ATOM 0 H PHE A 74 -2.256 -2.263 3.215 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.910 -0.215 4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.643 -0.163 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.507 1.097 2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.955 0.539 2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.908 -2.164 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.760 -0.695 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.106 -3.399 -0.224 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.231 -2.665 0.025 1.00 0.00 H new ATOM 524 N GLU A 75 -4.153 0.418 4.250 1.00 0.00 N ATOM 525 CA GLU A 75 -5.221 1.242 4.803 1.00 0.00 C ATOM 526 C GLU A 75 -4.971 1.540 6.279 1.00 0.00 C ATOM 527 O GLU A 75 -5.281 2.627 6.764 1.00 0.00 O ATOM 528 CB GLU A 75 -6.573 0.544 4.635 1.00 0.00 C ATOM 529 CG GLU A 75 -7.758 1.493 4.687 1.00 0.00 C ATOM 530 CD GLU A 75 -9.046 0.797 5.081 1.00 0.00 C ATOM 531 OE1 GLU A 75 -9.163 -0.421 4.832 1.00 0.00 O ATOM 532 OE2 GLU A 75 -9.938 1.471 5.637 1.00 0.00 O ATOM 0 H GLU A 75 -4.466 -0.285 3.580 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.236 2.185 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.583 0.015 3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.685 -0.207 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.548 2.291 5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.886 1.962 3.711 1.00 0.00 H new ATOM 539 N GLU A 76 -4.407 0.565 6.986 1.00 0.00 N ATOM 540 CA GLU A 76 -4.116 0.722 8.406 1.00 0.00 C ATOM 541 C GLU A 76 -2.965 1.701 8.620 1.00 0.00 C ATOM 542 O GLU A 76 -3.018 2.553 9.508 1.00 0.00 O ATOM 543 CB GLU A 76 -3.772 -0.631 9.032 1.00 0.00 C ATOM 544 CG GLU A 76 -4.914 -1.632 8.985 1.00 0.00 C ATOM 545 CD GLU A 76 -4.501 -3.011 9.459 1.00 0.00 C ATOM 546 OE1 GLU A 76 -3.467 -3.519 8.977 1.00 0.00 O ATOM 547 OE2 GLU A 76 -5.212 -3.583 10.312 1.00 0.00 O ATOM 0 H GLU A 76 -4.143 -0.341 6.599 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.006 1.122 8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.910 -1.052 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.478 -0.477 10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.735 -1.270 9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.290 -1.700 7.964 1.00 0.00 H new ATOM 554 N PHE A 77 -1.927 1.573 7.801 1.00 0.00 N ATOM 555 CA PHE A 77 -0.762 2.445 7.901 1.00 0.00 C ATOM 556 C PHE A 77 -1.092 3.852 7.409 1.00 0.00 C ATOM 557 O PHE A 77 -0.733 4.843 8.043 1.00 0.00 O ATOM 558 CB PHE A 77 0.403 1.870 7.094 1.00 0.00 C ATOM 559 CG PHE A 77 1.191 0.829 7.837 1.00 0.00 C ATOM 560 CD1 PHE A 77 2.202 1.199 8.710 1.00 0.00 C ATOM 561 CD2 PHE A 77 0.922 -0.518 7.662 1.00 0.00 C ATOM 562 CE1 PHE A 77 2.929 0.244 9.395 1.00 0.00 C ATOM 563 CE2 PHE A 77 1.646 -1.478 8.345 1.00 0.00 C ATOM 564 CZ PHE A 77 2.651 -1.096 9.212 1.00 0.00 C ATOM 0 H PHE A 77 -1.868 0.874 7.060 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.473 2.505 8.950 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.016 1.433 6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.070 2.682 6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.424 2.246 8.857 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.138 -0.822 6.984 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.714 0.546 10.073 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.426 -2.525 8.201 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.218 -1.844 9.746 1.00 0.00 H new ATOM 574 N GLY A 78 -1.777 3.929 6.272 1.00 0.00 N ATOM 575 CA GLY A 78 -2.143 5.217 5.713 1.00 0.00 C ATOM 576 C GLY A 78 -3.527 5.209 5.095 1.00 0.00 C ATOM 577 O GLY A 78 -4.054 4.152 4.746 1.00 0.00 O ATOM 0 H GLY A 78 -2.085 3.123 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.103 5.974 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.412 5.502 4.956 1.00 0.00 H new ATOM 581 N LYS A 79 -4.120 6.390 4.961 1.00 0.00 N ATOM 582 CA LYS A 79 -5.453 6.516 4.382 1.00 0.00 C ATOM 583 C LYS A 79 -5.390 6.474 2.859 1.00 0.00 C ATOM 584 O LYS A 79 -5.568 7.494 2.193 1.00 0.00 O ATOM 585 CB LYS A 79 -6.109 7.821 4.841 1.00 0.00 C ATOM 586 CG LYS A 79 -6.552 7.801 6.293 1.00 0.00 C ATOM 587 CD LYS A 79 -7.004 9.176 6.757 1.00 0.00 C ATOM 588 CE LYS A 79 -8.019 9.078 7.885 1.00 0.00 C ATOM 589 NZ LYS A 79 -9.295 8.459 7.431 1.00 0.00 N ATOM 0 H LYS A 79 -3.699 7.274 5.245 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.053 5.674 4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.407 8.642 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.973 8.025 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.367 7.088 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.730 7.456 6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.140 9.750 7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.441 9.718 5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.600 8.489 8.701 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.219 10.074 8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.069 8.763 8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.498 8.758 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.209 7.423 7.464 1.00 0.00 H new ATOM 603 N ILE A 80 -5.138 5.289 2.314 1.00 0.00 N ATOM 604 CA ILE A 80 -5.055 5.115 0.870 1.00 0.00 C ATOM 605 C ILE A 80 -6.146 5.907 0.157 1.00 0.00 C ATOM 606 O ILE A 80 -7.210 6.164 0.721 1.00 0.00 O ATOM 607 CB ILE A 80 -5.172 3.631 0.474 1.00 0.00 C ATOM 608 CG1 ILE A 80 -4.055 2.816 1.129 1.00 0.00 C ATOM 609 CG2 ILE A 80 -5.127 3.481 -1.040 1.00 0.00 C ATOM 610 CD1 ILE A 80 -4.291 1.322 1.084 1.00 0.00 C ATOM 0 H ILE A 80 -4.988 4.435 2.851 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.078 5.489 0.563 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.130 3.250 0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.112 3.042 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.950 3.128 2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.211 2.427 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.955 4.033 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.183 3.875 -1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.460 0.808 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.217 1.084 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.366 0.997 0.046 1.00 0.00 H new ATOM 622 N TYR A 81 -5.875 6.289 -1.086 1.00 0.00 N ATOM 623 CA TYR A 81 -6.833 7.053 -1.877 1.00 0.00 C ATOM 624 C TYR A 81 -7.312 6.246 -3.080 1.00 0.00 C ATOM 625 O TYR A 81 -8.466 6.355 -3.493 1.00 0.00 O ATOM 626 CB TYR A 81 -6.207 8.367 -2.346 1.00 0.00 C ATOM 627 CG TYR A 81 -7.006 9.069 -3.421 1.00 0.00 C ATOM 628 CD1 TYR A 81 -6.823 8.761 -4.763 1.00 0.00 C ATOM 629 CD2 TYR A 81 -7.945 10.039 -3.093 1.00 0.00 C ATOM 630 CE1 TYR A 81 -7.551 9.401 -5.748 1.00 0.00 C ATOM 631 CE2 TYR A 81 -8.678 10.683 -4.071 1.00 0.00 C ATOM 632 CZ TYR A 81 -8.477 10.361 -5.397 1.00 0.00 C ATOM 633 OH TYR A 81 -9.205 10.999 -6.375 1.00 0.00 O ATOM 0 H TYR A 81 -5.000 6.082 -1.568 1.00 0.00 H new ATOM 0 HA TYR A 81 -7.693 7.274 -1.245 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -6.100 9.034 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -5.204 8.168 -2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.100 8.009 -5.041 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.105 10.294 -2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.396 9.151 -6.787 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.404 11.434 -3.799 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.814 11.646 -5.960 1.00 0.00 H new ATOM 643 N GLU A 82 -6.417 5.437 -3.636 1.00 0.00 N ATOM 644 CA GLU A 82 -6.748 4.611 -4.792 1.00 0.00 C ATOM 645 C GLU A 82 -5.654 3.580 -5.054 1.00 0.00 C ATOM 646 O GLU A 82 -4.531 3.928 -5.421 1.00 0.00 O ATOM 647 CB GLU A 82 -6.946 5.486 -6.031 1.00 0.00 C ATOM 648 CG GLU A 82 -7.580 4.751 -7.200 1.00 0.00 C ATOM 649 CD GLU A 82 -7.654 5.602 -8.453 1.00 0.00 C ATOM 650 OE1 GLU A 82 -6.591 5.865 -9.055 1.00 0.00 O ATOM 651 OE2 GLU A 82 -8.773 6.004 -8.833 1.00 0.00 O ATOM 0 H GLU A 82 -5.457 5.335 -3.306 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.677 4.083 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.571 6.339 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.980 5.883 -6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.006 3.849 -7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.585 4.432 -6.922 1.00 0.00 H new ATOM 658 N LEU A 83 -5.991 2.309 -4.864 1.00 0.00 N ATOM 659 CA LEU A 83 -5.039 1.224 -5.079 1.00 0.00 C ATOM 660 C LEU A 83 -5.261 0.566 -6.437 1.00 0.00 C ATOM 661 O LEU A 83 -6.395 0.443 -6.901 1.00 0.00 O ATOM 662 CB LEU A 83 -5.164 0.181 -3.967 1.00 0.00 C ATOM 663 CG LEU A 83 -4.310 -1.077 -4.129 1.00 0.00 C ATOM 664 CD1 LEU A 83 -2.839 -0.756 -3.910 1.00 0.00 C ATOM 665 CD2 LEU A 83 -4.770 -2.161 -3.165 1.00 0.00 C ATOM 0 H LEU A 83 -6.916 2.004 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.034 1.646 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.902 0.655 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.209 -0.120 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.432 -1.447 -5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.247 -1.663 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.516 -0.013 -4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.699 -0.361 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.151 -3.049 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.678 -1.800 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.811 -2.411 -3.369 1.00 0.00 H new ATOM 677 N THR A 84 -4.171 0.143 -7.069 1.00 0.00 N ATOM 678 CA THR A 84 -4.246 -0.504 -8.373 1.00 0.00 C ATOM 679 C THR A 84 -3.113 -1.507 -8.555 1.00 0.00 C ATOM 680 O THR A 84 -1.939 -1.138 -8.566 1.00 0.00 O ATOM 681 CB THR A 84 -4.193 0.527 -9.516 1.00 0.00 C ATOM 682 OG1 THR A 84 -5.396 1.303 -9.532 1.00 0.00 O ATOM 683 CG2 THR A 84 -4.010 -0.163 -10.859 1.00 0.00 C ATOM 0 H THR A 84 -3.225 0.237 -6.699 1.00 0.00 H new ATOM 0 HA THR A 84 -5.201 -1.028 -8.411 1.00 0.00 H new ATOM 0 HB THR A 84 -3.340 1.184 -9.344 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.354 1.957 -10.260 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.975 0.585 -11.651 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.078 -0.729 -10.853 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.845 -0.841 -11.037 1.00 0.00 H new ATOM 691 N VAL A 85 -3.472 -2.779 -8.699 1.00 0.00 N ATOM 692 CA VAL A 85 -2.485 -3.836 -8.883 1.00 0.00 C ATOM 693 C VAL A 85 -2.168 -4.041 -10.361 1.00 0.00 C ATOM 694 O VAL A 85 -3.028 -4.450 -11.141 1.00 0.00 O ATOM 695 CB VAL A 85 -2.972 -5.169 -8.285 1.00 0.00 C ATOM 696 CG1 VAL A 85 -1.956 -6.272 -8.541 1.00 0.00 C ATOM 697 CG2 VAL A 85 -3.242 -5.017 -6.796 1.00 0.00 C ATOM 0 H VAL A 85 -4.439 -3.102 -8.692 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.582 -3.520 -8.361 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.906 -5.447 -8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.317 -7.206 -8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.817 -6.396 -9.615 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.005 -6.005 -8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.585 -5.968 -6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.325 -4.715 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.009 -4.258 -6.641 1.00 0.00 H new ATOM 707 N LEU A 86 -0.927 -3.753 -10.739 1.00 0.00 N ATOM 708 CA LEU A 86 -0.494 -3.906 -12.123 1.00 0.00 C ATOM 709 C LEU A 86 -0.755 -5.324 -12.622 1.00 0.00 C ATOM 710 O LEU A 86 -0.031 -6.258 -12.276 1.00 0.00 O ATOM 711 CB LEU A 86 0.993 -3.572 -12.253 1.00 0.00 C ATOM 712 CG LEU A 86 1.374 -2.108 -12.034 1.00 0.00 C ATOM 713 CD1 LEU A 86 2.881 -1.963 -11.898 1.00 0.00 C ATOM 714 CD2 LEU A 86 0.854 -1.245 -13.175 1.00 0.00 C ATOM 0 H LEU A 86 -0.203 -3.412 -10.106 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.070 -3.213 -12.737 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.545 -4.181 -11.538 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.326 -3.868 -13.248 1.00 0.00 H new ATOM 0 HG LEU A 86 0.912 -1.767 -11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.133 -0.914 -11.743 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.228 -2.549 -11.047 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.365 -2.322 -12.807 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.134 -0.206 -13.002 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.287 -1.586 -14.116 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.232 -1.324 -13.225 1.00 0.00 H new ATOM 726 N LYS A 87 -1.791 -5.477 -13.439 1.00 0.00 N ATOM 727 CA LYS A 87 -2.146 -6.780 -13.989 1.00 0.00 C ATOM 728 C LYS A 87 -2.357 -6.695 -15.497 1.00 0.00 C ATOM 729 O LYS A 87 -3.304 -6.063 -15.966 1.00 0.00 O ATOM 730 CB LYS A 87 -3.413 -7.313 -13.316 1.00 0.00 C ATOM 731 CG LYS A 87 -3.257 -7.543 -11.822 1.00 0.00 C ATOM 732 CD LYS A 87 -4.606 -7.623 -11.127 1.00 0.00 C ATOM 733 CE LYS A 87 -4.517 -8.406 -9.826 1.00 0.00 C ATOM 734 NZ LYS A 87 -5.794 -9.102 -9.509 1.00 0.00 N ATOM 0 H LYS A 87 -2.400 -4.714 -13.735 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.322 -7.466 -13.793 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.227 -6.608 -13.484 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.700 -8.251 -13.792 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.703 -8.466 -11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.670 -6.734 -11.388 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.972 -6.617 -10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.330 -8.097 -11.789 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.712 -9.138 -9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.261 -7.729 -9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.692 -9.624 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.557 -8.402 -9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.026 -9.767 -10.274 1.00 0.00 H new ATOM 748 N ASP A 88 -1.470 -7.335 -16.251 1.00 0.00 N ATOM 749 CA ASP A 88 -1.560 -7.333 -17.707 1.00 0.00 C ATOM 750 C ASP A 88 -2.875 -7.952 -18.170 1.00 0.00 C ATOM 751 O ASP A 88 -3.553 -8.638 -17.405 1.00 0.00 O ATOM 752 CB ASP A 88 -0.381 -8.096 -18.313 1.00 0.00 C ATOM 753 CG ASP A 88 0.023 -7.554 -19.670 1.00 0.00 C ATOM 754 OD1 ASP A 88 0.677 -6.491 -19.713 1.00 0.00 O ATOM 755 OD2 ASP A 88 -0.314 -8.193 -20.688 1.00 0.00 O ATOM 0 H ASP A 88 -0.680 -7.862 -15.878 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.526 -6.298 -18.048 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.471 -8.041 -17.635 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.645 -9.149 -18.409 1.00 0.00 H new ATOM 760 N ARG A 89 -3.230 -7.704 -19.426 1.00 0.00 N ATOM 761 CA ARG A 89 -4.465 -8.235 -19.991 1.00 0.00 C ATOM 762 C ARG A 89 -4.167 -9.246 -21.094 1.00 0.00 C ATOM 763 O ARG A 89 -5.081 -9.822 -21.685 1.00 0.00 O ATOM 764 CB ARG A 89 -5.327 -7.099 -20.544 1.00 0.00 C ATOM 765 CG ARG A 89 -4.811 -6.524 -21.853 1.00 0.00 C ATOM 766 CD ARG A 89 -5.608 -5.300 -22.277 1.00 0.00 C ATOM 767 NE ARG A 89 -5.332 -4.145 -21.428 1.00 0.00 N ATOM 768 CZ ARG A 89 -4.166 -3.509 -21.409 1.00 0.00 C ATOM 769 NH1 ARG A 89 -3.174 -3.913 -22.190 1.00 0.00 N ATOM 770 NH2 ARG A 89 -3.991 -2.465 -20.609 1.00 0.00 N ATOM 0 H ARG A 89 -2.680 -7.138 -20.072 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.011 -8.742 -19.196 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.343 -7.465 -20.693 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.381 -6.301 -19.803 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.760 -6.255 -21.744 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.867 -7.284 -22.632 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.371 -5.054 -23.312 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.673 -5.530 -22.240 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.075 -3.808 -20.816 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.305 -4.714 -22.808 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.280 -3.423 -22.173 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.752 -2.150 -20.008 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.095 -1.977 -20.595 1.00 0.00 H new ATOM 784 N PHE A 90 -2.884 -9.456 -21.367 1.00 0.00 N ATOM 785 CA PHE A 90 -2.466 -10.397 -22.400 1.00 0.00 C ATOM 786 C PHE A 90 -1.917 -11.678 -21.780 1.00 0.00 C ATOM 787 O PHE A 90 -2.582 -12.715 -21.777 1.00 0.00 O ATOM 788 CB PHE A 90 -1.407 -9.759 -23.302 1.00 0.00 C ATOM 789 CG PHE A 90 -1.910 -8.571 -24.070 1.00 0.00 C ATOM 790 CD1 PHE A 90 -2.922 -8.712 -25.006 1.00 0.00 C ATOM 791 CD2 PHE A 90 -1.371 -7.312 -23.857 1.00 0.00 C ATOM 792 CE1 PHE A 90 -3.388 -7.621 -25.715 1.00 0.00 C ATOM 793 CE2 PHE A 90 -1.833 -6.217 -24.562 1.00 0.00 C ATOM 794 CZ PHE A 90 -2.842 -6.372 -25.493 1.00 0.00 C ATOM 0 H PHE A 90 -2.115 -8.987 -20.887 1.00 0.00 H new ATOM 0 HA PHE A 90 -3.340 -10.651 -23.000 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.558 -9.453 -22.691 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.041 -10.508 -24.005 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.352 -9.687 -25.184 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.581 -7.185 -23.132 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.178 -7.745 -26.441 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.406 -5.241 -24.385 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.203 -5.518 -26.046 1.00 0.00 H new ATOM 804 N THR A 91 -0.698 -11.599 -21.254 1.00 0.00 N ATOM 805 CA THR A 91 -0.058 -12.752 -20.632 1.00 0.00 C ATOM 806 C THR A 91 0.486 -12.400 -19.252 1.00 0.00 C ATOM 807 O THR A 91 0.584 -13.258 -18.376 1.00 0.00 O ATOM 808 CB THR A 91 1.092 -13.293 -21.502 1.00 0.00 C ATOM 809 OG1 THR A 91 1.680 -14.440 -20.879 1.00 0.00 O ATOM 810 CG2 THR A 91 2.155 -12.227 -21.719 1.00 0.00 C ATOM 0 H THR A 91 -0.135 -10.749 -21.246 1.00 0.00 H new ATOM 0 HA THR A 91 -0.822 -13.523 -20.533 1.00 0.00 H new ATOM 0 HB THR A 91 0.682 -13.577 -22.471 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.409 -14.779 -21.439 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.957 -12.633 -22.336 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.711 -11.367 -22.220 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.560 -11.916 -20.756 1.00 0.00 H new ATOM 818 N GLY A 92 0.838 -11.132 -19.066 1.00 0.00 N ATOM 819 CA GLY A 92 1.368 -10.689 -17.789 1.00 0.00 C ATOM 820 C GLY A 92 0.281 -10.472 -16.754 1.00 0.00 C ATOM 821 O GLY A 92 0.319 -9.501 -15.999 1.00 0.00 O ATOM 0 H GLY A 92 0.766 -10.403 -19.776 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.077 -11.429 -17.417 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.921 -9.760 -17.931 1.00 0.00 H new ATOM 825 N MET A 93 -0.691 -11.378 -16.720 1.00 0.00 N ATOM 826 CA MET A 93 -1.793 -11.280 -15.771 1.00 0.00 C ATOM 827 C MET A 93 -1.278 -11.304 -14.335 1.00 0.00 C ATOM 828 O MET A 93 -1.023 -12.370 -13.774 1.00 0.00 O ATOM 829 CB MET A 93 -2.784 -12.425 -15.988 1.00 0.00 C ATOM 830 CG MET A 93 -3.841 -12.123 -17.038 1.00 0.00 C ATOM 831 SD MET A 93 -5.373 -13.034 -16.764 1.00 0.00 S ATOM 832 CE MET A 93 -6.430 -12.302 -18.011 1.00 0.00 C ATOM 0 H MET A 93 -0.737 -12.188 -17.339 1.00 0.00 H new ATOM 0 HA MET A 93 -2.302 -10.331 -15.940 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.235 -13.319 -16.284 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.277 -12.652 -15.043 1.00 0.00 H new ATOM 0 HG2 MET A 93 -4.053 -11.054 -17.037 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.448 -12.369 -18.025 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.417 -12.763 -17.968 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.521 -11.231 -17.828 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.996 -12.466 -18.997 1.00 0.00 H new ATOM 842 N HIS A 94 -1.125 -10.122 -13.746 1.00 0.00 N ATOM 843 CA HIS A 94 -0.640 -10.007 -12.376 1.00 0.00 C ATOM 844 C HIS A 94 0.845 -10.349 -12.294 1.00 0.00 C ATOM 845 O HIS A 94 1.252 -11.219 -11.523 1.00 0.00 O ATOM 846 CB HIS A 94 -1.438 -10.927 -11.451 1.00 0.00 C ATOM 847 CG HIS A 94 -1.250 -10.624 -9.997 1.00 0.00 C ATOM 848 ND1 HIS A 94 -0.096 -10.068 -9.487 1.00 0.00 N ATOM 849 CD2 HIS A 94 -2.079 -10.802 -8.941 1.00 0.00 C ATOM 850 CE1 HIS A 94 -0.222 -9.918 -8.180 1.00 0.00 C ATOM 851 NE2 HIS A 94 -1.416 -10.355 -7.824 1.00 0.00 N ATOM 0 H HIS A 94 -1.330 -9.230 -14.197 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.775 -8.974 -12.055 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.497 -10.846 -11.697 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.146 -11.960 -11.639 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.075 -11.218 -8.971 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.525 -9.508 -7.516 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.786 -10.360 -6.874 1.00 0.00 H new ATOM 859 N LYS A 95 1.650 -9.660 -13.096 1.00 0.00 N ATOM 860 CA LYS A 95 3.090 -9.889 -13.115 1.00 0.00 C ATOM 861 C LYS A 95 3.598 -10.274 -11.729 1.00 0.00 C ATOM 862 O LYS A 95 4.074 -11.388 -11.519 1.00 0.00 O ATOM 863 CB LYS A 95 3.820 -8.637 -13.608 1.00 0.00 C ATOM 864 CG LYS A 95 3.471 -8.253 -15.036 1.00 0.00 C ATOM 865 CD LYS A 95 3.565 -6.752 -15.248 1.00 0.00 C ATOM 866 CE LYS A 95 2.433 -6.018 -14.545 1.00 0.00 C ATOM 867 NZ LYS A 95 1.242 -5.863 -15.424 1.00 0.00 N ATOM 0 H LYS A 95 1.329 -8.938 -13.742 1.00 0.00 H new ATOM 0 HA LYS A 95 3.293 -10.713 -13.799 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.581 -7.803 -12.948 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.895 -8.802 -13.537 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.145 -8.762 -15.726 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.461 -8.592 -15.269 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.523 -6.390 -14.874 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.536 -6.532 -16.315 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.151 -6.563 -13.644 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.780 -5.035 -14.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.114 -4.859 -15.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.382 -6.410 -16.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.397 -6.212 -14.928 1.00 0.00 H new ATOM 881 N GLY A 96 3.493 -9.343 -10.786 1.00 0.00 N ATOM 882 CA GLY A 96 3.945 -9.605 -9.432 1.00 0.00 C ATOM 883 C GLY A 96 4.234 -8.332 -8.660 1.00 0.00 C ATOM 884 O GLY A 96 5.170 -8.281 -7.862 1.00 0.00 O ATOM 0 H GLY A 96 3.103 -8.412 -10.935 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.186 -10.182 -8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.845 -10.218 -9.465 1.00 0.00 H new ATOM 888 N CYS A 97 3.430 -7.302 -8.900 1.00 0.00 N ATOM 889 CA CYS A 97 3.605 -6.022 -8.223 1.00 0.00 C ATOM 890 C CYS A 97 2.298 -5.237 -8.197 1.00 0.00 C ATOM 891 O CYS A 97 1.300 -5.655 -8.783 1.00 0.00 O ATOM 892 CB CYS A 97 4.694 -5.200 -8.916 1.00 0.00 C ATOM 893 SG CYS A 97 4.397 -4.918 -10.677 1.00 0.00 S ATOM 0 H CYS A 97 2.651 -7.328 -9.558 1.00 0.00 H new ATOM 0 HA CYS A 97 3.908 -6.221 -7.195 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.782 -4.236 -8.414 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.650 -5.709 -8.797 1.00 0.00 H new ATOM 0 HG CYS A 97 5.370 -4.213 -11.174 1.00 0.00 H new ATOM 899 N ALA A 98 2.311 -4.098 -7.511 1.00 0.00 N ATOM 900 CA ALA A 98 1.127 -3.255 -7.409 1.00 0.00 C ATOM 901 C ALA A 98 1.506 -1.813 -7.089 1.00 0.00 C ATOM 902 O ALA A 98 2.571 -1.550 -6.530 1.00 0.00 O ATOM 903 CB ALA A 98 0.180 -3.801 -6.350 1.00 0.00 C ATOM 0 H ALA A 98 3.129 -3.739 -7.018 1.00 0.00 H new ATOM 0 HA ALA A 98 0.620 -3.265 -8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.700 -3.161 -6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.125 -4.812 -6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.686 -3.821 -5.385 1.00 0.00 H new ATOM 909 N PHE A 99 0.628 -0.882 -7.448 1.00 0.00 N ATOM 910 CA PHE A 99 0.871 0.534 -7.200 1.00 0.00 C ATOM 911 C PHE A 99 -0.034 1.056 -6.089 1.00 0.00 C ATOM 912 O PHE A 99 -1.232 0.770 -6.062 1.00 0.00 O ATOM 913 CB PHE A 99 0.646 1.343 -8.479 1.00 0.00 C ATOM 914 CG PHE A 99 1.851 1.398 -9.374 1.00 0.00 C ATOM 915 CD1 PHE A 99 3.105 1.675 -8.854 1.00 0.00 C ATOM 916 CD2 PHE A 99 1.730 1.173 -10.736 1.00 0.00 C ATOM 917 CE1 PHE A 99 4.216 1.726 -9.674 1.00 0.00 C ATOM 918 CE2 PHE A 99 2.838 1.222 -11.561 1.00 0.00 C ATOM 919 CZ PHE A 99 4.082 1.500 -11.030 1.00 0.00 C ATOM 0 H PHE A 99 -0.258 -1.083 -7.912 1.00 0.00 H new ATOM 0 HA PHE A 99 1.908 0.648 -6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.187 0.909 -9.032 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.356 2.359 -8.210 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.216 1.853 -7.795 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.759 0.957 -11.158 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.188 1.942 -9.255 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.731 1.043 -12.621 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.948 1.541 -11.674 1.00 0.00 H new ATOM 929 N LEU A 100 0.546 1.823 -5.172 1.00 0.00 N ATOM 930 CA LEU A 100 -0.208 2.386 -4.057 1.00 0.00 C ATOM 931 C LEU A 100 -0.094 3.907 -4.035 1.00 0.00 C ATOM 932 O LEU A 100 0.976 4.464 -4.284 1.00 0.00 O ATOM 933 CB LEU A 100 0.293 1.805 -2.733 1.00 0.00 C ATOM 934 CG LEU A 100 -0.306 2.414 -1.465 1.00 0.00 C ATOM 935 CD1 LEU A 100 -1.681 1.826 -1.189 1.00 0.00 C ATOM 936 CD2 LEU A 100 0.619 2.189 -0.278 1.00 0.00 C ATOM 0 H LEU A 100 1.536 2.069 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.257 2.122 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.090 0.734 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.376 1.924 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.416 3.488 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.092 2.271 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.342 2.037 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.596 0.747 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.177 2.629 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.760 1.119 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.583 2.658 -0.474 1.00 0.00 H new ATOM 948 N THR A 101 -1.203 4.574 -3.731 1.00 0.00 N ATOM 949 CA THR A 101 -1.227 6.030 -3.675 1.00 0.00 C ATOM 950 C THR A 101 -1.778 6.519 -2.340 1.00 0.00 C ATOM 951 O THR A 101 -2.908 6.202 -1.970 1.00 0.00 O ATOM 952 CB THR A 101 -2.077 6.622 -4.815 1.00 0.00 C ATOM 953 OG1 THR A 101 -1.504 6.279 -6.082 1.00 0.00 O ATOM 954 CG2 THR A 101 -2.172 8.135 -4.690 1.00 0.00 C ATOM 0 H THR A 101 -2.096 4.129 -3.520 1.00 0.00 H new ATOM 0 HA THR A 101 -0.197 6.368 -3.786 1.00 0.00 H new ATOM 0 HB THR A 101 -3.081 6.203 -4.745 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.051 6.658 -6.802 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.777 8.530 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.635 8.393 -3.737 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.173 8.567 -4.737 1.00 0.00 H new ATOM 962 N TYR A 102 -0.972 7.293 -1.622 1.00 0.00 N ATOM 963 CA TYR A 102 -1.378 7.825 -0.326 1.00 0.00 C ATOM 964 C TYR A 102 -1.741 9.303 -0.434 1.00 0.00 C ATOM 965 O TYR A 102 -1.040 10.080 -1.084 1.00 0.00 O ATOM 966 CB TYR A 102 -0.260 7.636 0.700 1.00 0.00 C ATOM 967 CG TYR A 102 -0.360 6.340 1.472 1.00 0.00 C ATOM 968 CD1 TYR A 102 -1.576 5.907 1.986 1.00 0.00 C ATOM 969 CD2 TYR A 102 0.762 5.549 1.688 1.00 0.00 C ATOM 970 CE1 TYR A 102 -1.671 4.724 2.693 1.00 0.00 C ATOM 971 CE2 TYR A 102 0.675 4.364 2.392 1.00 0.00 C ATOM 972 CZ TYR A 102 -0.543 3.956 2.893 1.00 0.00 C ATOM 973 OH TYR A 102 -0.634 2.776 3.596 1.00 0.00 O ATOM 0 H TYR A 102 -0.034 7.566 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.260 7.276 0.004 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.702 7.671 0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.278 8.470 1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.462 6.505 1.830 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.718 5.866 1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.624 4.402 3.087 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.556 3.760 2.549 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.558 2.643 3.893 1.00 0.00 H new ATOM 983 N CYS A 103 -2.838 9.685 0.210 1.00 0.00 N ATOM 984 CA CYS A 103 -3.295 11.070 0.188 1.00 0.00 C ATOM 985 C CYS A 103 -2.148 12.026 0.497 1.00 0.00 C ATOM 986 O CYS A 103 -1.794 12.871 -0.324 1.00 0.00 O ATOM 987 CB CYS A 103 -4.428 11.271 1.195 1.00 0.00 C ATOM 988 SG CYS A 103 -4.878 13.001 1.465 1.00 0.00 S ATOM 0 H CYS A 103 -3.428 9.055 0.754 1.00 0.00 H new ATOM 0 HA CYS A 103 -3.666 11.288 -0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -5.307 10.728 0.849 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -4.135 10.830 2.148 1.00 0.00 H new ATOM 0 HG CYS A 103 -5.846 13.068 2.331 1.00 0.00 H new ATOM 994 N GLU A 104 -1.572 11.886 1.687 1.00 0.00 N ATOM 995 CA GLU A 104 -0.467 12.740 2.105 1.00 0.00 C ATOM 996 C GLU A 104 0.875 12.093 1.774 1.00 0.00 C ATOM 997 O GLU A 104 0.939 10.914 1.427 1.00 0.00 O ATOM 998 CB GLU A 104 -0.552 13.024 3.606 1.00 0.00 C ATOM 999 CG GLU A 104 -1.839 13.715 4.023 1.00 0.00 C ATOM 1000 CD GLU A 104 -1.966 15.110 3.444 1.00 0.00 C ATOM 1001 OE1 GLU A 104 -0.924 15.769 3.248 1.00 0.00 O ATOM 1002 OE2 GLU A 104 -3.109 15.543 3.186 1.00 0.00 O ATOM 0 H GLU A 104 -1.852 11.190 2.378 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.542 13.681 1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.461 12.084 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.295 13.645 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.690 13.114 3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.880 13.772 5.111 1.00 0.00 H new ATOM 1009 N ARG A 105 1.945 12.874 1.883 1.00 0.00 N ATOM 1010 CA ARG A 105 3.285 12.379 1.593 1.00 0.00 C ATOM 1011 C ARG A 105 3.884 11.686 2.814 1.00 0.00 C ATOM 1012 O ARG A 105 4.270 10.519 2.749 1.00 0.00 O ATOM 1013 CB ARG A 105 4.192 13.529 1.151 1.00 0.00 C ATOM 1014 CG ARG A 105 3.695 14.255 -0.089 1.00 0.00 C ATOM 1015 CD ARG A 105 4.689 15.307 -0.555 1.00 0.00 C ATOM 1016 NE ARG A 105 5.984 14.724 -0.894 1.00 0.00 N ATOM 1017 CZ ARG A 105 6.940 14.488 -0.002 1.00 0.00 C ATOM 1018 NH1 ARG A 105 6.746 14.783 1.276 1.00 0.00 N ATOM 1019 NH2 ARG A 105 8.092 13.955 -0.388 1.00 0.00 N ATOM 0 H ARG A 105 1.910 13.852 2.170 1.00 0.00 H new ATOM 0 HA ARG A 105 3.210 11.653 0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.282 14.244 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 105 5.191 13.139 0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.524 13.535 -0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 105 2.737 14.728 0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.286 15.826 -1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.821 16.053 0.229 1.00 0.00 H new ATOM 0 HE ARG A 105 6.165 14.485 -1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.861 15.192 1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.482 14.601 1.959 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.244 13.726 -1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.825 13.774 0.297 1.00 0.00 H new ATOM 1033 N GLU A 106 3.958 12.413 3.924 1.00 0.00 N ATOM 1034 CA GLU A 106 4.511 11.868 5.158 1.00 0.00 C ATOM 1035 C GLU A 106 3.986 10.458 5.413 1.00 0.00 C ATOM 1036 O GLU A 106 4.760 9.516 5.582 1.00 0.00 O ATOM 1037 CB GLU A 106 4.167 12.774 6.342 1.00 0.00 C ATOM 1038 CG GLU A 106 4.804 12.336 7.649 1.00 0.00 C ATOM 1039 CD GLU A 106 6.308 12.530 7.660 1.00 0.00 C ATOM 1040 OE1 GLU A 106 6.760 13.677 7.460 1.00 0.00 O ATOM 1041 OE2 GLU A 106 7.033 11.534 7.868 1.00 0.00 O ATOM 0 H GLU A 106 3.642 13.380 3.994 1.00 0.00 H new ATOM 0 HA GLU A 106 5.595 11.820 5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.486 13.791 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.084 12.800 6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.363 12.900 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.576 11.285 7.825 1.00 0.00 H new ATOM 1048 N SER A 107 2.664 10.322 5.441 1.00 0.00 N ATOM 1049 CA SER A 107 2.034 9.029 5.680 1.00 0.00 C ATOM 1050 C SER A 107 2.771 7.919 4.936 1.00 0.00 C ATOM 1051 O SER A 107 3.175 6.920 5.531 1.00 0.00 O ATOM 1052 CB SER A 107 0.568 9.064 5.244 1.00 0.00 C ATOM 1053 OG SER A 107 0.445 9.505 3.903 1.00 0.00 O ATOM 0 H SER A 107 2.009 11.091 5.301 1.00 0.00 H new ATOM 0 HA SER A 107 2.083 8.821 6.749 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.132 8.070 5.345 1.00 0.00 H new ATOM 0 HB3 SER A 107 0.006 9.727 5.901 1.00 0.00 H new ATOM 0 HG SER A 107 -0.501 9.517 3.648 1.00 0.00 H new ATOM 1059 N ALA A 108 2.942 8.103 3.631 1.00 0.00 N ATOM 1060 CA ALA A 108 3.632 7.119 2.806 1.00 0.00 C ATOM 1061 C ALA A 108 4.992 6.763 3.397 1.00 0.00 C ATOM 1062 O ALA A 108 5.331 5.587 3.534 1.00 0.00 O ATOM 1063 CB ALA A 108 3.792 7.642 1.386 1.00 0.00 C ATOM 0 H ALA A 108 2.613 8.924 3.123 1.00 0.00 H new ATOM 0 HA ALA A 108 3.027 6.212 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.309 6.898 0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.809 7.839 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.373 8.564 1.401 1.00 0.00 H new ATOM 1069 N LEU A 109 5.766 7.785 3.745 1.00 0.00 N ATOM 1070 CA LEU A 109 7.091 7.579 4.321 1.00 0.00 C ATOM 1071 C LEU A 109 7.047 6.528 5.425 1.00 0.00 C ATOM 1072 O LEU A 109 7.913 5.657 5.503 1.00 0.00 O ATOM 1073 CB LEU A 109 7.637 8.896 4.876 1.00 0.00 C ATOM 1074 CG LEU A 109 7.576 10.098 3.933 1.00 0.00 C ATOM 1075 CD1 LEU A 109 7.994 11.367 4.659 1.00 0.00 C ATOM 1076 CD2 LEU A 109 8.456 9.865 2.714 1.00 0.00 C ATOM 0 H LEU A 109 5.500 8.764 3.639 1.00 0.00 H new ATOM 0 HA LEU A 109 7.752 7.222 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.084 9.142 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.676 8.741 5.168 1.00 0.00 H new ATOM 0 HG LEU A 109 6.547 10.219 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.945 12.212 3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.323 11.543 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.014 11.257 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.400 10.731 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.488 9.718 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.111 8.979 2.180 1.00 0.00 H new ATOM 1088 N LYS A 110 6.030 6.614 6.277 1.00 0.00 N ATOM 1089 CA LYS A 110 5.870 5.669 7.376 1.00 0.00 C ATOM 1090 C LYS A 110 5.860 4.233 6.861 1.00 0.00 C ATOM 1091 O LYS A 110 6.804 3.477 7.088 1.00 0.00 O ATOM 1092 CB LYS A 110 4.575 5.958 8.139 1.00 0.00 C ATOM 1093 CG LYS A 110 4.539 7.335 8.777 1.00 0.00 C ATOM 1094 CD LYS A 110 3.502 7.410 9.885 1.00 0.00 C ATOM 1095 CE LYS A 110 4.023 6.801 11.178 1.00 0.00 C ATOM 1096 NZ LYS A 110 3.139 7.113 12.334 1.00 0.00 N ATOM 0 H LYS A 110 5.304 7.329 6.227 1.00 0.00 H new ATOM 0 HA LYS A 110 6.717 5.788 8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.731 5.861 7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.445 5.204 8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.522 7.575 9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.315 8.083 8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.226 8.450 10.057 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.597 6.888 9.574 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.103 5.720 11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.027 7.176 11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 3.529 6.680 13.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.082 8.144 12.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 2.187 6.733 12.156 1.00 0.00 H new ATOM 1110 N ALA A 111 4.789 3.866 6.166 1.00 0.00 N ATOM 1111 CA ALA A 111 4.659 2.522 5.617 1.00 0.00 C ATOM 1112 C ALA A 111 5.854 2.170 4.738 1.00 0.00 C ATOM 1113 O ALA A 111 6.253 1.009 4.654 1.00 0.00 O ATOM 1114 CB ALA A 111 3.365 2.398 4.826 1.00 0.00 C ATOM 0 H ALA A 111 3.999 4.480 5.970 1.00 0.00 H new ATOM 0 HA ALA A 111 4.633 1.818 6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.281 1.389 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.517 2.598 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.369 3.118 4.007 1.00 0.00 H new ATOM 1120 N GLN A 112 6.419 3.180 4.084 1.00 0.00 N ATOM 1121 CA GLN A 112 7.569 2.976 3.210 1.00 0.00 C ATOM 1122 C GLN A 112 8.702 2.279 3.956 1.00 0.00 C ATOM 1123 O GLN A 112 9.316 1.345 3.439 1.00 0.00 O ATOM 1124 CB GLN A 112 8.056 4.314 2.652 1.00 0.00 C ATOM 1125 CG GLN A 112 8.698 4.203 1.279 1.00 0.00 C ATOM 1126 CD GLN A 112 8.741 5.529 0.546 1.00 0.00 C ATOM 1127 OE1 GLN A 112 8.062 5.716 -0.465 1.00 0.00 O ATOM 1128 NE2 GLN A 112 9.541 6.460 1.052 1.00 0.00 N ATOM 0 H GLN A 112 6.100 4.147 4.143 1.00 0.00 H new ATOM 0 HA GLN A 112 7.257 2.338 2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.213 5.003 2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.776 4.747 3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.712 3.819 1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.144 3.479 0.681 1.00 0.00 H new ATOM 0 HE21 GLN A 112 10.086 6.263 1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 112 9.611 7.372 0.601 1.00 0.00 H new ATOM 1137 N SER A 113 8.975 2.740 5.172 1.00 0.00 N ATOM 1138 CA SER A 113 10.038 2.163 5.987 1.00 0.00 C ATOM 1139 C SER A 113 9.477 1.132 6.962 1.00 0.00 C ATOM 1140 O SER A 113 10.209 0.288 7.478 1.00 0.00 O ATOM 1141 CB SER A 113 10.772 3.263 6.757 1.00 0.00 C ATOM 1142 OG SER A 113 11.515 4.091 5.880 1.00 0.00 O ATOM 0 H SER A 113 8.475 3.511 5.615 1.00 0.00 H new ATOM 0 HA SER A 113 10.742 1.663 5.322 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.052 3.867 7.309 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.441 2.813 7.491 1.00 0.00 H new ATOM 0 HG SER A 113 11.973 4.787 6.396 1.00 0.00 H new ATOM 1148 N ALA A 114 8.173 1.208 7.208 1.00 0.00 N ATOM 1149 CA ALA A 114 7.513 0.281 8.118 1.00 0.00 C ATOM 1150 C ALA A 114 7.241 -1.057 7.438 1.00 0.00 C ATOM 1151 O ALA A 114 7.096 -2.084 8.102 1.00 0.00 O ATOM 1152 CB ALA A 114 6.216 0.884 8.637 1.00 0.00 C ATOM 0 H ALA A 114 7.553 1.902 6.790 1.00 0.00 H new ATOM 0 HA ALA A 114 8.181 0.102 8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.734 0.181 9.316 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.433 1.811 9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.551 1.094 7.799 1.00 0.00 H new ATOM 1158 N LEU A 115 7.173 -1.037 6.112 1.00 0.00 N ATOM 1159 CA LEU A 115 6.917 -2.249 5.341 1.00 0.00 C ATOM 1160 C LEU A 115 8.191 -2.738 4.658 1.00 0.00 C ATOM 1161 O LEU A 115 8.504 -3.929 4.685 1.00 0.00 O ATOM 1162 CB LEU A 115 5.831 -1.993 4.295 1.00 0.00 C ATOM 1163 CG LEU A 115 4.399 -1.897 4.824 1.00 0.00 C ATOM 1164 CD1 LEU A 115 3.453 -1.444 3.724 1.00 0.00 C ATOM 1165 CD2 LEU A 115 3.952 -3.235 5.397 1.00 0.00 C ATOM 0 H LEU A 115 7.291 -0.195 5.548 1.00 0.00 H new ATOM 0 HA LEU A 115 6.575 -3.022 6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.068 -1.065 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.871 -2.793 3.555 1.00 0.00 H new ATOM 0 HG LEU A 115 4.376 -1.156 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.439 -1.382 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.761 -0.464 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.479 -2.161 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.931 -3.149 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.991 -3.996 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.613 -3.520 6.215 1.00 0.00 H new ATOM 1177 N HIS A 116 8.923 -1.811 4.048 1.00 0.00 N ATOM 1178 CA HIS A 116 10.164 -2.148 3.361 1.00 0.00 C ATOM 1179 C HIS A 116 11.091 -2.947 4.272 1.00 0.00 C ATOM 1180 O HIS A 116 11.272 -2.605 5.440 1.00 0.00 O ATOM 1181 CB HIS A 116 10.869 -0.877 2.885 1.00 0.00 C ATOM 1182 CG HIS A 116 12.104 -1.143 2.080 1.00 0.00 C ATOM 1183 ND1 HIS A 116 12.073 -1.670 0.806 1.00 0.00 N ATOM 1184 CD2 HIS A 116 13.411 -0.949 2.373 1.00 0.00 C ATOM 1185 CE1 HIS A 116 13.307 -1.791 0.351 1.00 0.00 C ATOM 1186 NE2 HIS A 116 14.138 -1.360 1.283 1.00 0.00 N ATOM 0 H HIS A 116 8.678 -0.821 4.016 1.00 0.00 H new ATOM 0 HA HIS A 116 9.916 -2.763 2.496 1.00 0.00 H new ATOM 0 HB2 HIS A 116 10.174 -0.289 2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 116 11.134 -0.272 3.752 1.00 0.00 H new ATOM 0 HD2 HIS A 116 13.808 -0.546 3.293 1.00 0.00 H new ATOM 0 HE1 HIS A 116 13.589 -2.177 -0.618 1.00 0.00 H new ATOM 0 HE2 HIS A 116 15.155 -1.336 1.206 1.00 0.00 H new ATOM 1194 N GLU A 117 11.674 -4.011 3.730 1.00 0.00 N ATOM 1195 CA GLU A 117 12.580 -4.859 4.496 1.00 0.00 C ATOM 1196 C GLU A 117 12.112 -4.987 5.943 1.00 0.00 C ATOM 1197 O GLU A 117 12.921 -4.965 6.870 1.00 0.00 O ATOM 1198 CB GLU A 117 14.000 -4.292 4.456 1.00 0.00 C ATOM 1199 CG GLU A 117 14.566 -4.165 3.051 1.00 0.00 C ATOM 1200 CD GLU A 117 15.794 -3.278 2.995 1.00 0.00 C ATOM 1201 OE1 GLU A 117 16.444 -3.095 4.045 1.00 0.00 O ATOM 1202 OE2 GLU A 117 16.107 -2.767 1.898 1.00 0.00 O ATOM 0 H GLU A 117 11.535 -4.307 2.764 1.00 0.00 H new ATOM 0 HA GLU A 117 12.579 -5.850 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 117 14.004 -3.311 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.655 -4.933 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 117 14.821 -5.156 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 117 13.800 -3.760 2.390 1.00 0.00 H new ATOM 1209 N GLN A 118 10.803 -5.119 6.126 1.00 0.00 N ATOM 1210 CA GLN A 118 10.227 -5.249 7.459 1.00 0.00 C ATOM 1211 C GLN A 118 9.429 -6.543 7.584 1.00 0.00 C ATOM 1212 O GLN A 118 9.536 -7.257 8.581 1.00 0.00 O ATOM 1213 CB GLN A 118 9.329 -4.051 7.769 1.00 0.00 C ATOM 1214 CG GLN A 118 10.082 -2.857 8.335 1.00 0.00 C ATOM 1215 CD GLN A 118 10.662 -3.131 9.709 1.00 0.00 C ATOM 1216 OE1 GLN A 118 11.648 -3.855 9.846 1.00 0.00 O ATOM 1217 NE2 GLN A 118 10.051 -2.552 10.736 1.00 0.00 N ATOM 0 H GLN A 118 10.121 -5.139 5.368 1.00 0.00 H new ATOM 0 HA GLN A 118 11.045 -5.277 8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 118 8.815 -3.747 6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 118 8.562 -4.357 8.480 1.00 0.00 H new ATOM 0 HG2 GLN A 118 10.887 -2.583 7.653 1.00 0.00 H new ATOM 0 HG3 GLN A 118 9.409 -2.002 8.393 1.00 0.00 H new ATOM 0 HE21 GLN A 118 9.236 -1.959 10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 118 10.396 -2.700 11.684 1.00 0.00 H new ATOM 1226 N LYS A 119 8.630 -6.840 6.565 1.00 0.00 N ATOM 1227 CA LYS A 119 7.813 -8.048 6.559 1.00 0.00 C ATOM 1228 C LYS A 119 8.062 -8.866 5.296 1.00 0.00 C ATOM 1229 O LYS A 119 8.328 -8.314 4.228 1.00 0.00 O ATOM 1230 CB LYS A 119 6.330 -7.687 6.662 1.00 0.00 C ATOM 1231 CG LYS A 119 5.730 -7.202 5.353 1.00 0.00 C ATOM 1232 CD LYS A 119 4.220 -7.377 5.334 1.00 0.00 C ATOM 1233 CE LYS A 119 3.655 -7.181 3.935 1.00 0.00 C ATOM 1234 NZ LYS A 119 3.290 -5.760 3.679 1.00 0.00 N ATOM 0 H LYS A 119 8.531 -6.260 5.732 1.00 0.00 H new ATOM 0 HA LYS A 119 8.094 -8.651 7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.775 -8.560 7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.205 -6.912 7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.977 -6.151 5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.172 -7.753 4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.963 -8.373 5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.761 -6.662 6.017 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.389 -7.506 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.775 -7.811 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 2.631 -5.710 2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.836 -5.360 4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.148 -5.216 3.457 1.00 0.00 H new ATOM 1248 N THR A 120 7.972 -10.186 5.424 1.00 0.00 N ATOM 1249 CA THR A 120 8.186 -11.080 4.293 1.00 0.00 C ATOM 1250 C THR A 120 6.929 -11.883 3.981 1.00 0.00 C ATOM 1251 O THR A 120 6.299 -12.444 4.878 1.00 0.00 O ATOM 1252 CB THR A 120 9.350 -12.053 4.559 1.00 0.00 C ATOM 1253 OG1 THR A 120 10.486 -11.335 5.054 1.00 0.00 O ATOM 1254 CG2 THR A 120 9.731 -12.801 3.290 1.00 0.00 C ATOM 0 H THR A 120 7.752 -10.660 6.300 1.00 0.00 H new ATOM 0 HA THR A 120 8.435 -10.453 3.437 1.00 0.00 H new ATOM 0 HB THR A 120 9.025 -12.777 5.306 1.00 0.00 H new ATOM 0 HG1 THR A 120 11.221 -11.961 5.222 1.00 0.00 H new ATOM 0 HG21 THR A 120 10.555 -13.482 3.503 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.873 -13.370 2.932 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.038 -12.087 2.525 1.00 0.00 H new ATOM 1262 N LEU A 121 6.568 -11.936 2.703 1.00 0.00 N ATOM 1263 CA LEU A 121 5.385 -12.673 2.272 1.00 0.00 C ATOM 1264 C LEU A 121 5.639 -14.177 2.302 1.00 0.00 C ATOM 1265 O LEU A 121 6.774 -14.642 2.195 1.00 0.00 O ATOM 1266 CB LEU A 121 4.977 -12.241 0.862 1.00 0.00 C ATOM 1267 CG LEU A 121 4.363 -10.847 0.739 1.00 0.00 C ATOM 1268 CD1 LEU A 121 4.110 -10.502 -0.721 1.00 0.00 C ATOM 1269 CD2 LEU A 121 3.072 -10.760 1.540 1.00 0.00 C ATOM 0 H LEU A 121 7.077 -11.477 1.948 1.00 0.00 H new ATOM 0 HA LEU A 121 4.574 -12.447 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.857 -12.286 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.262 -12.967 0.474 1.00 0.00 H new ATOM 0 HG LEU A 121 5.069 -10.123 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.673 -9.506 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 121 5.052 -10.523 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.423 -11.230 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.649 -9.760 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.360 -11.494 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.281 -10.963 2.590 1.00 0.00 H new ATOM 1281 N PRO A 122 4.558 -14.956 2.450 1.00 0.00 N ATOM 1282 CA PRO A 122 4.637 -16.420 2.495 1.00 0.00 C ATOM 1283 C PRO A 122 5.008 -17.022 1.144 1.00 0.00 C ATOM 1284 O PRO A 122 4.330 -16.791 0.143 1.00 0.00 O ATOM 1285 CB PRO A 122 3.221 -16.839 2.897 1.00 0.00 C ATOM 1286 CG PRO A 122 2.350 -15.720 2.441 1.00 0.00 C ATOM 1287 CD PRO A 122 3.174 -14.470 2.584 1.00 0.00 C ATOM 0 HA PRO A 122 5.410 -16.766 3.182 1.00 0.00 H new ATOM 0 HB2 PRO A 122 2.937 -17.779 2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 122 3.143 -16.988 3.974 1.00 0.00 H new ATOM 0 HG2 PRO A 122 2.037 -15.865 1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 122 1.443 -15.661 3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.929 -13.737 1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 122 3.009 -13.988 3.548 1.00 0.00 H new ATOM 1295 N GLY A 123 6.088 -17.796 1.122 1.00 0.00 N ATOM 1296 CA GLY A 123 6.530 -18.420 -0.112 1.00 0.00 C ATOM 1297 C GLY A 123 7.415 -17.507 -0.938 1.00 0.00 C ATOM 1298 O GLY A 123 7.464 -17.622 -2.162 1.00 0.00 O ATOM 0 H GLY A 123 6.666 -18.003 1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.074 -19.335 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 123 5.660 -18.709 -0.702 1.00 0.00 H new ATOM 1302 N MET A 124 8.115 -16.598 -0.267 1.00 0.00 N ATOM 1303 CA MET A 124 9.002 -15.662 -0.949 1.00 0.00 C ATOM 1304 C MET A 124 10.288 -15.458 -0.156 1.00 0.00 C ATOM 1305 O MET A 124 10.265 -14.939 0.960 1.00 0.00 O ATOM 1306 CB MET A 124 8.298 -14.319 -1.157 1.00 0.00 C ATOM 1307 CG MET A 124 6.983 -14.433 -1.911 1.00 0.00 C ATOM 1308 SD MET A 124 7.214 -14.825 -3.655 1.00 0.00 S ATOM 1309 CE MET A 124 7.809 -13.255 -4.279 1.00 0.00 C ATOM 0 H MET A 124 8.085 -16.490 0.747 1.00 0.00 H new ATOM 0 HA MET A 124 9.258 -16.084 -1.921 1.00 0.00 H new ATOM 0 HB2 MET A 124 8.112 -13.861 -0.185 1.00 0.00 H new ATOM 0 HB3 MET A 124 8.963 -13.650 -1.702 1.00 0.00 H new ATOM 0 HG2 MET A 124 6.369 -15.205 -1.447 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.436 -13.494 -1.823 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.446 -13.106 -5.296 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.445 -12.449 -3.642 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.899 -13.253 -4.279 1.00 0.00 H new ATOM 1319 N ASN A 125 11.409 -15.869 -0.739 1.00 0.00 N ATOM 1320 CA ASN A 125 12.706 -15.732 -0.086 1.00 0.00 C ATOM 1321 C ASN A 125 13.048 -14.262 0.140 1.00 0.00 C ATOM 1322 O ASN A 125 13.763 -13.918 1.081 1.00 0.00 O ATOM 1323 CB ASN A 125 13.797 -16.397 -0.927 1.00 0.00 C ATOM 1324 CG ASN A 125 13.767 -17.910 -0.820 1.00 0.00 C ATOM 1325 OD1 ASN A 125 14.560 -18.508 -0.093 1.00 0.00 O ATOM 1326 ND2 ASN A 125 12.849 -18.536 -1.548 1.00 0.00 N ATOM 0 H ASN A 125 11.446 -16.300 -1.663 1.00 0.00 H new ATOM 0 HA ASN A 125 12.651 -16.228 0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 125 13.675 -16.107 -1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 125 14.773 -16.032 -0.606 1.00 0.00 H new ATOM 0 HD21 ASN A 125 12.781 -19.553 -1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 125 12.212 -17.999 -2.137 1.00 0.00 H new ATOM 1333 N ARG A 126 12.532 -13.400 -0.730 1.00 0.00 N ATOM 1334 CA ARG A 126 12.783 -11.967 -0.626 1.00 0.00 C ATOM 1335 C ARG A 126 11.601 -11.254 0.022 1.00 0.00 C ATOM 1336 O ARG A 126 10.440 -11.498 -0.308 1.00 0.00 O ATOM 1337 CB ARG A 126 13.055 -11.374 -2.010 1.00 0.00 C ATOM 1338 CG ARG A 126 13.998 -10.182 -1.987 1.00 0.00 C ATOM 1339 CD ARG A 126 15.377 -10.572 -1.478 1.00 0.00 C ATOM 1340 NE ARG A 126 16.356 -9.507 -1.679 1.00 0.00 N ATOM 1341 CZ ARG A 126 17.019 -9.323 -2.815 1.00 0.00 C ATOM 1342 NH1 ARG A 126 16.809 -10.129 -3.847 1.00 0.00 N ATOM 1343 NH2 ARG A 126 17.894 -8.331 -2.921 1.00 0.00 N ATOM 0 H ARG A 126 11.938 -13.668 -1.514 1.00 0.00 H new ATOM 0 HA ARG A 126 13.661 -11.822 0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.477 -12.148 -2.651 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.109 -11.070 -2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.084 -9.765 -2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 126 13.582 -9.400 -1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.317 -10.813 -0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 126 15.711 -11.473 -1.992 1.00 0.00 H new ATOM 0 HE ARG A 126 16.541 -8.870 -0.904 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.137 -10.892 -3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.319 -9.985 -4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.058 -7.709 -2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.403 -8.191 -3.794 1.00 0.00 H new ATOM 1357 N PRO A 127 11.900 -10.351 0.968 1.00 0.00 N ATOM 1358 CA PRO A 127 10.875 -9.583 1.682 1.00 0.00 C ATOM 1359 C PRO A 127 10.187 -8.560 0.785 1.00 0.00 C ATOM 1360 O PRO A 127 10.716 -8.182 -0.260 1.00 0.00 O ATOM 1361 CB PRO A 127 11.666 -8.879 2.787 1.00 0.00 C ATOM 1362 CG PRO A 127 13.055 -8.782 2.257 1.00 0.00 C ATOM 1363 CD PRO A 127 13.262 -10.009 1.412 1.00 0.00 C ATOM 0 HA PRO A 127 10.072 -10.220 2.053 1.00 0.00 H new ATOM 0 HB2 PRO A 127 11.254 -7.893 3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 127 11.636 -9.446 3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 127 13.185 -7.875 1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 127 13.781 -8.740 3.069 1.00 0.00 H new ATOM 0 HD2 PRO A 127 13.922 -9.809 0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.714 -10.819 1.984 1.00 0.00 H new ATOM 1371 N ILE A 128 9.005 -8.117 1.200 1.00 0.00 N ATOM 1372 CA ILE A 128 8.245 -7.137 0.434 1.00 0.00 C ATOM 1373 C ILE A 128 8.995 -5.812 0.340 1.00 0.00 C ATOM 1374 O ILE A 128 9.462 -5.280 1.347 1.00 0.00 O ATOM 1375 CB ILE A 128 6.860 -6.886 1.058 1.00 0.00 C ATOM 1376 CG1 ILE A 128 5.969 -6.116 0.082 1.00 0.00 C ATOM 1377 CG2 ILE A 128 6.998 -6.127 2.369 1.00 0.00 C ATOM 1378 CD1 ILE A 128 4.493 -6.229 0.392 1.00 0.00 C ATOM 0 H ILE A 128 8.553 -8.421 2.062 1.00 0.00 H new ATOM 0 HA ILE A 128 8.114 -7.550 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 128 6.393 -7.848 1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.255 -5.064 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 128 6.149 -6.483 -0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 128 6.010 -5.958 2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 128 7.600 -6.710 3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 128 7.483 -5.168 2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 128 3.923 -5.658 -0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 128 4.192 -7.276 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 128 4.299 -5.835 1.390 1.00 0.00 H new ATOM 1390 N GLN A 129 9.104 -5.286 -0.875 1.00 0.00 N ATOM 1391 CA GLN A 129 9.796 -4.022 -1.100 1.00 0.00 C ATOM 1392 C GLN A 129 8.802 -2.894 -1.352 1.00 0.00 C ATOM 1393 O GLN A 129 7.738 -3.108 -1.934 1.00 0.00 O ATOM 1394 CB GLN A 129 10.756 -4.146 -2.285 1.00 0.00 C ATOM 1395 CG GLN A 129 12.122 -4.695 -1.907 1.00 0.00 C ATOM 1396 CD GLN A 129 13.186 -4.373 -2.937 1.00 0.00 C ATOM 1397 OE1 GLN A 129 12.886 -3.872 -4.021 1.00 0.00 O ATOM 1398 NE2 GLN A 129 14.440 -4.658 -2.604 1.00 0.00 N ATOM 0 H GLN A 129 8.723 -5.715 -1.718 1.00 0.00 H new ATOM 0 HA GLN A 129 10.367 -3.785 -0.202 1.00 0.00 H new ATOM 0 HB2 GLN A 129 10.309 -4.795 -3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 129 10.882 -3.165 -2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 129 12.420 -4.285 -0.942 1.00 0.00 H new ATOM 0 HG3 GLN A 129 12.054 -5.776 -1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 129 14.645 -5.073 -1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.198 -4.462 -3.257 1.00 0.00 H new ATOM 1407 N VAL A 130 9.154 -1.691 -0.911 1.00 0.00 N ATOM 1408 CA VAL A 130 8.293 -0.528 -1.089 1.00 0.00 C ATOM 1409 C VAL A 130 9.114 0.732 -1.339 1.00 0.00 C ATOM 1410 O VAL A 130 9.957 1.109 -0.525 1.00 0.00 O ATOM 1411 CB VAL A 130 7.391 -0.304 0.140 1.00 0.00 C ATOM 1412 CG1 VAL A 130 6.385 0.804 -0.131 1.00 0.00 C ATOM 1413 CG2 VAL A 130 6.685 -1.595 0.524 1.00 0.00 C ATOM 0 H VAL A 130 10.031 -1.496 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 130 7.667 -0.728 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 130 8.017 0.004 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.757 0.948 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 130 6.915 1.730 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 130 5.761 0.529 -0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 130 6.052 -1.419 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.070 -1.935 -0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.426 -2.358 0.763 1.00 0.00 H new ATOM 1423 N LYS A 131 8.863 1.380 -2.471 1.00 0.00 N ATOM 1424 CA LYS A 131 9.578 2.599 -2.830 1.00 0.00 C ATOM 1425 C LYS A 131 8.668 3.559 -3.590 1.00 0.00 C ATOM 1426 O LYS A 131 7.720 3.153 -4.262 1.00 0.00 O ATOM 1427 CB LYS A 131 10.806 2.264 -3.679 1.00 0.00 C ATOM 1428 CG LYS A 131 11.545 1.021 -3.215 1.00 0.00 C ATOM 1429 CD LYS A 131 10.984 -0.235 -3.861 1.00 0.00 C ATOM 1430 CE LYS A 131 11.702 -0.560 -5.162 1.00 0.00 C ATOM 1431 NZ LYS A 131 11.315 0.371 -6.258 1.00 0.00 N ATOM 0 H LYS A 131 8.169 1.081 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 131 9.902 3.085 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 131 10.495 2.126 -4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 131 11.491 3.112 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.604 1.114 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.473 0.937 -2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 131 11.080 -1.074 -3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.920 -0.102 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.779 -0.508 -5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 131 11.472 -1.584 -5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 11.631 -0.016 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 10.281 0.483 -6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 11.762 1.297 -6.101 1.00 0.00 H new ATOM 1445 N PRO A 132 8.962 4.863 -3.485 1.00 0.00 N ATOM 1446 CA PRO A 132 8.184 5.908 -4.158 1.00 0.00 C ATOM 1447 C PRO A 132 8.372 5.887 -5.671 1.00 0.00 C ATOM 1448 O PRO A 132 9.390 6.350 -6.185 1.00 0.00 O ATOM 1449 CB PRO A 132 8.744 7.204 -3.566 1.00 0.00 C ATOM 1450 CG PRO A 132 10.128 6.858 -3.137 1.00 0.00 C ATOM 1451 CD PRO A 132 10.078 5.419 -2.701 1.00 0.00 C ATOM 0 HA PRO A 132 7.112 5.782 -4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.747 8.007 -4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 132 8.143 7.547 -2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 132 10.836 6.994 -3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 132 10.456 7.502 -2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 132 11.014 4.902 -2.913 1.00 0.00 H new ATOM 0 HD3 PRO A 132 9.900 5.330 -1.629 1.00 0.00 H new ATOM 1459 N ALA A 133 7.385 5.348 -6.378 1.00 0.00 N ATOM 1460 CA ALA A 133 7.441 5.270 -7.832 1.00 0.00 C ATOM 1461 C ALA A 133 7.954 6.575 -8.433 1.00 0.00 C ATOM 1462 O ALA A 133 8.894 6.576 -9.228 1.00 0.00 O ATOM 1463 CB ALA A 133 6.069 4.931 -8.396 1.00 0.00 C ATOM 0 H ALA A 133 6.536 4.959 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 133 8.139 4.477 -8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 133 6.126 4.876 -9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 133 5.741 3.970 -8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 133 5.356 5.704 -8.109 1.00 0.00 H new