USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 589 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 58 ASN : amide:sc= 0.364 K(o=-0.37,f=-7.7!) USER MOD Set 1.2: A 77 SER OG : rot 130:sc= -0.739 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.185 X(o=-0.19,f=0.014) USER MOD Single : A 30 THR OG1 : rot -155:sc= -1.71 USER MOD Single : A 35 THR OG1 : rot -140:sc= -0.613 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 75:sc= 0.844 USER MOD Single : A 60 GLN : amide:sc= -0.0105 K(o=-0.01,f=-0.56) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.493 K(o=-0.49,f=-4.2!) USER MOD Single : A 65 MET CE :methyl -119:sc= -2.8 (180deg=-8.56!) USER MOD Single : A 67 HIS : no HE2:sc= -0.151 X(o=-0.15,f=-0.096) USER MOD Single : A 71 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.3) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0258 X(o=-0.026,f=-0.092) USER MOD Single : A 79 SER OG : rot -170:sc= 0.237 USER MOD Single : A 84 GLN : amide:sc= -0.0672 K(o=-0.067,f=-1.7!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.835 13.334 2.544 1.00 0.00 N ATOM 60 CA GLY A 7 -1.567 11.939 2.237 1.00 0.00 C ATOM 61 C GLY A 7 -0.794 11.267 3.373 1.00 0.00 C ATOM 62 O GLY A 7 0.184 11.819 3.875 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.507 11.412 2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.995 11.870 1.312 1.00 0.00 H new ATOM 66 N LEU A 8 -1.261 10.084 3.746 1.00 0.00 N ATOM 67 CA LEU A 8 -0.626 9.331 4.813 1.00 0.00 C ATOM 68 C LEU A 8 0.126 8.140 4.214 1.00 0.00 C ATOM 69 O LEU A 8 -0.185 7.698 3.109 1.00 0.00 O ATOM 70 CB LEU A 8 -1.653 8.937 5.876 1.00 0.00 C ATOM 71 CG LEU A 8 -1.617 7.479 6.337 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.220 7.330 7.735 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.301 6.565 5.318 1.00 0.00 C ATOM 0 H LEU A 8 -2.072 9.629 3.327 1.00 0.00 H new ATOM 0 HA LEU A 8 0.111 9.948 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.508 9.576 6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.649 9.150 5.487 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.574 7.167 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.182 6.284 8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.652 7.934 8.443 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.257 7.666 7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.262 5.534 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.341 6.868 5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.788 6.641 4.359 1.00 0.00 H new ATOM 85 N THR A 9 1.100 7.656 4.970 1.00 0.00 N ATOM 86 CA THR A 9 1.899 6.525 4.527 1.00 0.00 C ATOM 87 C THR A 9 1.645 5.311 5.423 1.00 0.00 C ATOM 88 O THR A 9 1.136 5.449 6.534 1.00 0.00 O ATOM 89 CB THR A 9 3.364 6.964 4.498 1.00 0.00 C ATOM 90 OG1 THR A 9 3.368 8.107 3.647 1.00 0.00 O ATOM 91 CG2 THR A 9 4.262 5.958 3.775 1.00 0.00 C ATOM 0 H THR A 9 1.354 8.026 5.886 1.00 0.00 H new ATOM 0 HA THR A 9 1.619 6.212 3.521 1.00 0.00 H new ATOM 0 HB THR A 9 3.721 7.102 5.518 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.280 8.457 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.291 6.317 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.210 4.994 4.282 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.925 5.845 2.745 1.00 0.00 H new ATOM 99 N VAL A 10 2.013 4.148 4.905 1.00 0.00 N ATOM 100 CA VAL A 10 1.832 2.909 5.644 1.00 0.00 C ATOM 101 C VAL A 10 3.189 2.228 5.828 1.00 0.00 C ATOM 102 O VAL A 10 4.108 2.441 5.038 1.00 0.00 O ATOM 103 CB VAL A 10 0.809 2.021 4.934 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.410 0.834 5.813 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.420 2.829 4.513 1.00 0.00 C ATOM 0 H VAL A 10 2.435 4.037 3.983 1.00 0.00 H new ATOM 0 HA VAL A 10 1.432 3.112 6.638 1.00 0.00 H new ATOM 0 HB VAL A 10 1.276 1.627 4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.318 0.219 5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.293 0.237 6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.029 1.200 6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.132 2.174 4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.889 3.265 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.117 3.625 3.833 1.00 0.00 H new ATOM 115 N ASP A 11 3.273 1.422 6.877 1.00 0.00 N ATOM 116 CA ASP A 11 4.503 0.708 7.175 1.00 0.00 C ATOM 117 C ASP A 11 4.183 -0.767 7.427 1.00 0.00 C ATOM 118 O ASP A 11 3.952 -1.170 8.566 1.00 0.00 O ATOM 119 CB ASP A 11 5.174 1.267 8.431 1.00 0.00 C ATOM 120 CG ASP A 11 4.212 1.794 9.498 1.00 0.00 C ATOM 121 OD1 ASP A 11 3.162 1.143 9.687 1.00 0.00 O ATOM 122 OD2 ASP A 11 4.549 2.836 10.100 1.00 0.00 O ATOM 0 H ASP A 11 2.510 1.248 7.531 1.00 0.00 H new ATOM 0 HA ASP A 11 5.175 0.825 6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.791 0.485 8.874 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.845 2.074 8.138 1.00 0.00 H new ATOM 127 N VAL A 12 4.179 -1.532 6.345 1.00 0.00 N ATOM 128 CA VAL A 12 3.891 -2.953 6.434 1.00 0.00 C ATOM 129 C VAL A 12 5.105 -3.680 7.017 1.00 0.00 C ATOM 130 O VAL A 12 6.245 -3.350 6.693 1.00 0.00 O ATOM 131 CB VAL A 12 3.475 -3.490 5.064 1.00 0.00 C ATOM 132 CG1 VAL A 12 3.019 -4.948 5.161 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.385 -2.616 4.440 1.00 0.00 C ATOM 0 H VAL A 12 4.371 -1.194 5.402 1.00 0.00 H new ATOM 0 HA VAL A 12 3.052 -3.130 7.106 1.00 0.00 H new ATOM 0 HB VAL A 12 4.348 -3.454 4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.729 -5.305 4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.836 -5.560 5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.167 -5.018 5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.108 -3.020 3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.511 -2.605 5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.759 -1.600 4.318 1.00 0.00 H new ATOM 143 N ALA A 13 4.819 -4.655 7.868 1.00 0.00 N ATOM 144 CA ALA A 13 5.873 -5.430 8.499 1.00 0.00 C ATOM 145 C ALA A 13 5.897 -6.836 7.896 1.00 0.00 C ATOM 146 O ALA A 13 5.174 -7.722 8.349 1.00 0.00 O ATOM 147 CB ALA A 13 5.657 -5.449 10.013 1.00 0.00 C ATOM 0 H ALA A 13 3.872 -4.926 8.135 1.00 0.00 H new ATOM 0 HA ALA A 13 6.846 -4.975 8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.448 -6.031 10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.678 -4.429 10.396 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.691 -5.901 10.237 1.00 0.00 H new ATOM 153 N GLY A 14 6.735 -6.997 6.883 1.00 0.00 N ATOM 154 CA GLY A 14 6.863 -8.280 6.213 1.00 0.00 C ATOM 155 C GLY A 14 7.198 -9.389 7.212 1.00 0.00 C ATOM 156 O GLY A 14 7.028 -9.216 8.418 1.00 0.00 O ATOM 0 H GLY A 14 7.333 -6.260 6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.933 -8.519 5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.643 -8.222 5.454 1.00 0.00 H new ATOM 160 N PRO A 15 7.681 -10.534 6.659 1.00 0.00 N ATOM 161 CA PRO A 15 7.851 -10.657 5.221 1.00 0.00 C ATOM 162 C PRO A 15 6.503 -10.848 4.524 1.00 0.00 C ATOM 163 O PRO A 15 5.455 -10.564 5.102 1.00 0.00 O ATOM 164 CB PRO A 15 8.788 -11.839 5.036 1.00 0.00 C ATOM 165 CG PRO A 15 8.738 -12.620 6.339 1.00 0.00 C ATOM 166 CD PRO A 15 8.075 -11.738 7.385 1.00 0.00 C ATOM 0 HA PRO A 15 8.270 -9.758 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.473 -12.459 4.197 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.802 -11.503 4.821 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.177 -13.545 6.208 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.743 -12.899 6.656 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.212 -12.232 7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.762 -11.503 8.198 1.00 0.00 H new ATOM 174 N ALA A 16 6.573 -11.327 3.291 1.00 0.00 N ATOM 175 CA ALA A 16 5.371 -11.559 2.508 1.00 0.00 C ATOM 176 C ALA A 16 4.814 -12.945 2.836 1.00 0.00 C ATOM 177 O ALA A 16 5.499 -13.765 3.445 1.00 0.00 O ATOM 178 CB ALA A 16 5.691 -11.395 1.021 1.00 0.00 C ATOM 0 H ALA A 16 7.444 -11.561 2.814 1.00 0.00 H new ATOM 0 HA ALA A 16 4.602 -10.828 2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.790 -11.569 0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.055 -10.384 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.457 -12.115 0.732 1.00 0.00 H new ATOM 184 N PRO A 17 3.543 -13.170 2.406 1.00 0.00 N ATOM 185 CA PRO A 17 2.802 -12.145 1.692 1.00 0.00 C ATOM 186 C PRO A 17 2.322 -11.050 2.646 1.00 0.00 C ATOM 187 O PRO A 17 2.556 -11.126 3.852 1.00 0.00 O ATOM 188 CB PRO A 17 1.660 -12.885 1.014 1.00 0.00 C ATOM 189 CG PRO A 17 1.531 -14.211 1.745 1.00 0.00 C ATOM 190 CD PRO A 17 2.781 -14.402 2.588 1.00 0.00 C ATOM 0 HA PRO A 17 3.412 -11.621 0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.734 -12.314 1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.869 -13.041 -0.044 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.642 -14.215 2.375 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.421 -15.030 1.034 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.531 -14.561 3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.350 -15.272 2.260 1.00 0.00 H new ATOM 198 N TRP A 18 1.660 -10.057 2.071 1.00 0.00 N ATOM 199 CA TRP A 18 1.145 -8.947 2.856 1.00 0.00 C ATOM 200 C TRP A 18 -0.244 -9.334 3.367 1.00 0.00 C ATOM 201 O TRP A 18 -0.468 -9.405 4.574 1.00 0.00 O ATOM 202 CB TRP A 18 1.143 -7.653 2.040 1.00 0.00 C ATOM 203 CG TRP A 18 2.436 -7.406 1.262 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.618 -7.431 -0.065 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.730 -7.093 1.821 1.00 0.00 C ATOM 206 NE1 TRP A 18 3.929 -7.158 -0.402 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.626 -6.946 0.782 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.129 -6.939 3.160 1.00 0.00 C ATOM 209 CZ2 TRP A 18 5.978 -6.638 0.974 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.484 -6.632 3.335 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.399 -6.481 2.300 1.00 0.00 C ATOM 0 H TRP A 18 1.468 -9.997 1.071 1.00 0.00 H new ATOM 0 HA TRP A 18 1.789 -8.749 3.713 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.309 -7.679 1.339 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.969 -6.812 2.712 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.837 -7.639 -0.782 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.315 -7.119 -1.345 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.445 -7.049 3.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.660 -6.527 0.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.843 -6.504 4.345 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.430 -6.244 2.517 1.00 0.00 H new ATOM 222 N GLY A 19 -1.142 -9.575 2.422 1.00 0.00 N ATOM 223 CA GLY A 19 -2.503 -9.953 2.761 1.00 0.00 C ATOM 224 C GLY A 19 -3.493 -8.858 2.357 1.00 0.00 C ATOM 225 O GLY A 19 -4.470 -8.608 3.062 1.00 0.00 O ATOM 0 H GLY A 19 -0.953 -9.516 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.761 -10.885 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.577 -10.138 3.833 1.00 0.00 H new ATOM 229 N PHE A 20 -3.206 -8.235 1.224 1.00 0.00 N ATOM 230 CA PHE A 20 -4.059 -7.173 0.717 1.00 0.00 C ATOM 231 C PHE A 20 -4.121 -7.201 -0.811 1.00 0.00 C ATOM 232 O PHE A 20 -3.173 -7.631 -1.467 1.00 0.00 O ATOM 233 CB PHE A 20 -3.438 -5.848 1.166 1.00 0.00 C ATOM 234 CG PHE A 20 -2.216 -5.425 0.349 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.381 -4.832 -0.864 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.965 -5.642 0.835 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.247 -4.440 -1.623 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.170 -5.249 0.076 1.00 0.00 C ATOM 239 CZ PHE A 20 0.005 -4.657 -1.137 1.00 0.00 C ATOM 0 H PHE A 20 -2.395 -8.445 0.642 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.073 -7.297 1.097 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.193 -5.065 1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.151 -5.930 2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.375 -4.659 -1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.834 -6.113 1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.378 -3.970 -2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.164 -5.420 0.462 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.868 -4.359 -1.714 1.00 0.00 H new ATOM 249 N ARG A 21 -5.246 -6.738 -1.335 1.00 0.00 N ATOM 250 CA ARG A 21 -5.444 -6.705 -2.774 1.00 0.00 C ATOM 251 C ARG A 21 -5.578 -5.260 -3.258 1.00 0.00 C ATOM 252 O ARG A 21 -5.738 -4.344 -2.453 1.00 0.00 O ATOM 253 CB ARG A 21 -6.695 -7.489 -3.176 1.00 0.00 C ATOM 254 CG ARG A 21 -6.449 -8.997 -3.089 1.00 0.00 C ATOM 255 CD ARG A 21 -7.593 -9.777 -3.740 1.00 0.00 C ATOM 256 NE ARG A 21 -7.110 -11.102 -4.190 1.00 0.00 N ATOM 257 CZ ARG A 21 -7.905 -12.066 -4.674 1.00 0.00 C ATOM 258 NH1 ARG A 21 -9.225 -11.859 -4.775 1.00 0.00 N ATOM 259 NH2 ARG A 21 -7.379 -13.237 -5.058 1.00 0.00 N ATOM 0 H ARG A 21 -6.030 -6.382 -0.789 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.574 -7.168 -3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.525 -7.214 -2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.985 -7.222 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.509 -9.245 -3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.350 -9.293 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.410 -9.901 -3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.989 -9.218 -4.588 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.110 -11.293 -4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.625 -10.967 -4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.830 -12.593 -5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.374 -13.394 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.984 -13.971 -5.426 1.00 0.00 H new ATOM 273 N ILE A 22 -5.509 -5.101 -4.572 1.00 0.00 N ATOM 274 CA ILE A 22 -5.621 -3.783 -5.173 1.00 0.00 C ATOM 275 C ILE A 22 -6.539 -3.860 -6.394 1.00 0.00 C ATOM 276 O ILE A 22 -6.969 -4.945 -6.784 1.00 0.00 O ATOM 277 CB ILE A 22 -4.234 -3.216 -5.482 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.469 -4.129 -6.443 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.449 -2.953 -4.195 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.365 -3.359 -7.170 1.00 0.00 C ATOM 0 H ILE A 22 -5.377 -5.863 -5.237 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.078 -3.083 -4.474 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.362 -2.256 -5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.033 -4.961 -5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.159 -4.556 -7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.467 -2.550 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.990 -2.235 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.330 -3.886 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.837 -4.031 -7.846 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.807 -2.543 -7.741 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.663 -2.954 -6.441 1.00 0.00 H new ATOM 292 N SER A 23 -6.813 -2.696 -6.963 1.00 0.00 N ATOM 293 CA SER A 23 -7.673 -2.618 -8.132 1.00 0.00 C ATOM 294 C SER A 23 -7.263 -1.431 -9.005 1.00 0.00 C ATOM 295 O SER A 23 -6.317 -0.714 -8.681 1.00 0.00 O ATOM 296 CB SER A 23 -9.143 -2.495 -7.727 1.00 0.00 C ATOM 297 OG SER A 23 -9.981 -3.359 -8.490 1.00 0.00 O ATOM 0 H SER A 23 -6.455 -1.799 -6.637 1.00 0.00 H new ATOM 0 HA SER A 23 -7.557 -3.539 -8.704 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.248 -2.730 -6.668 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.470 -1.464 -7.858 1.00 0.00 H new ATOM 0 HG SER A 23 -10.911 -3.252 -8.200 1.00 0.00 H new ATOM 303 N GLY A 24 -7.994 -1.260 -10.097 1.00 0.00 N ATOM 304 CA GLY A 24 -7.717 -0.172 -11.020 1.00 0.00 C ATOM 305 C GLY A 24 -6.265 -0.216 -11.501 1.00 0.00 C ATOM 306 O GLY A 24 -5.766 -1.274 -11.882 1.00 0.00 O ATOM 0 H GLY A 24 -8.777 -1.856 -10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.389 -0.236 -11.876 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.913 0.783 -10.532 1.00 0.00 H new ATOM 310 N GLY A 25 -5.629 0.945 -11.467 1.00 0.00 N ATOM 311 CA GLY A 25 -4.244 1.052 -11.895 1.00 0.00 C ATOM 312 C GLY A 25 -4.132 1.851 -13.195 1.00 0.00 C ATOM 313 O GLY A 25 -5.143 2.259 -13.767 1.00 0.00 O ATOM 0 H GLY A 25 -6.046 1.820 -11.150 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.655 1.535 -11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.826 0.056 -12.039 1.00 0.00 H new ATOM 317 N ARG A 26 -2.895 2.050 -13.625 1.00 0.00 N ATOM 318 CA ARG A 26 -2.638 2.792 -14.848 1.00 0.00 C ATOM 319 C ARG A 26 -3.282 2.086 -16.043 1.00 0.00 C ATOM 320 O ARG A 26 -3.731 2.737 -16.985 1.00 0.00 O ATOM 321 CB ARG A 26 -1.136 2.937 -15.098 1.00 0.00 C ATOM 322 CG ARG A 26 -0.866 3.573 -16.464 1.00 0.00 C ATOM 323 CD ARG A 26 0.167 4.695 -16.352 1.00 0.00 C ATOM 324 NE ARG A 26 0.730 5.000 -17.686 1.00 0.00 N ATOM 325 CZ ARG A 26 0.048 5.603 -18.669 1.00 0.00 C ATOM 326 NH1 ARG A 26 -1.226 5.970 -18.473 1.00 0.00 N ATOM 327 NH2 ARG A 26 0.639 5.840 -19.848 1.00 0.00 N ATOM 0 H ARG A 26 -2.059 1.710 -13.149 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.073 3.785 -14.731 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.691 3.549 -14.314 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.659 1.958 -15.048 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.509 2.813 -17.159 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.795 3.969 -16.875 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.297 5.587 -15.932 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.965 4.399 -15.671 1.00 0.00 H new ATOM 0 HE ARG A 26 1.698 4.735 -17.869 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.676 5.790 -17.576 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.745 6.429 -19.221 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.609 5.561 -19.998 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.119 6.299 -20.596 1.00 0.00 H new ATOM 341 N ASP A 27 -3.306 0.764 -15.965 1.00 0.00 N ATOM 342 CA ASP A 27 -3.887 -0.038 -17.029 1.00 0.00 C ATOM 343 C ASP A 27 -5.359 0.341 -17.200 1.00 0.00 C ATOM 344 O ASP A 27 -5.790 0.691 -18.298 1.00 0.00 O ATOM 345 CB ASP A 27 -3.818 -1.529 -16.695 1.00 0.00 C ATOM 346 CG ASP A 27 -4.330 -1.905 -15.303 1.00 0.00 C ATOM 347 OD1 ASP A 27 -4.359 -0.996 -14.445 1.00 0.00 O ATOM 348 OD2 ASP A 27 -4.681 -3.092 -15.128 1.00 0.00 O ATOM 0 H ASP A 27 -2.933 0.228 -15.182 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.323 0.153 -17.942 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.395 -2.079 -17.438 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.783 -1.859 -16.786 1.00 0.00 H new ATOM 353 N PHE A 28 -6.091 0.258 -16.099 1.00 0.00 N ATOM 354 CA PHE A 28 -7.506 0.588 -16.114 1.00 0.00 C ATOM 355 C PHE A 28 -7.717 2.103 -16.053 1.00 0.00 C ATOM 356 O PHE A 28 -8.850 2.572 -15.962 1.00 0.00 O ATOM 357 CB PHE A 28 -8.127 -0.051 -14.870 1.00 0.00 C ATOM 358 CG PHE A 28 -8.253 -1.574 -14.951 1.00 0.00 C ATOM 359 CD1 PHE A 28 -9.344 -2.136 -15.539 1.00 0.00 C ATOM 360 CD2 PHE A 28 -7.275 -2.366 -14.435 1.00 0.00 C ATOM 361 CE1 PHE A 28 -9.461 -3.549 -15.614 1.00 0.00 C ATOM 362 CE2 PHE A 28 -7.392 -3.779 -14.510 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.483 -4.341 -15.098 1.00 0.00 C ATOM 0 H PHE A 28 -5.731 -0.033 -15.190 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.964 0.221 -17.033 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.522 0.208 -14.001 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -9.116 0.377 -14.709 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.121 -1.507 -15.949 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.409 -1.920 -13.968 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.327 -3.995 -16.081 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.615 -4.408 -14.100 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.572 -5.416 -15.155 1.00 0.00 H new ATOM 373 N HIS A 29 -6.607 2.825 -16.106 1.00 0.00 N ATOM 374 CA HIS A 29 -6.656 4.276 -16.058 1.00 0.00 C ATOM 375 C HIS A 29 -7.291 4.725 -14.740 1.00 0.00 C ATOM 376 O HIS A 29 -7.933 5.773 -14.681 1.00 0.00 O ATOM 377 CB HIS A 29 -7.378 4.836 -17.285 1.00 0.00 C ATOM 378 CG HIS A 29 -6.549 4.820 -18.546 1.00 0.00 C ATOM 379 ND1 HIS A 29 -6.575 5.846 -19.474 1.00 0.00 N ATOM 380 CD2 HIS A 29 -5.670 3.892 -19.023 1.00 0.00 C ATOM 381 CE1 HIS A 29 -5.746 5.539 -20.461 1.00 0.00 C ATOM 382 NE2 HIS A 29 -5.186 4.328 -20.180 1.00 0.00 N ATOM 0 H HIS A 29 -5.669 2.432 -16.182 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.644 4.679 -16.089 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.288 4.259 -17.453 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.684 5.861 -17.077 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.412 2.961 -18.541 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.549 6.142 -21.335 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.507 3.838 -20.763 1.00 0.00 H new ATOM 390 N THR A 30 -7.089 3.910 -13.715 1.00 0.00 N ATOM 391 CA THR A 30 -7.634 4.210 -12.402 1.00 0.00 C ATOM 392 C THR A 30 -6.536 4.135 -11.340 1.00 0.00 C ATOM 393 O THR A 30 -5.494 3.520 -11.560 1.00 0.00 O ATOM 394 CB THR A 30 -8.797 3.250 -12.142 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.335 2.000 -12.648 1.00 0.00 O ATOM 396 CG2 THR A 30 -10.023 3.570 -13.000 1.00 0.00 C ATOM 0 H THR A 30 -6.555 3.042 -13.767 1.00 0.00 H new ATOM 0 HA THR A 30 -8.018 5.229 -12.357 1.00 0.00 H new ATOM 0 HB THR A 30 -9.072 3.289 -11.088 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.103 1.442 -12.891 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.819 2.860 -12.777 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.367 4.581 -12.781 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.758 3.498 -14.055 1.00 0.00 H new ATOM 404 N PRO A 31 -6.813 4.788 -10.179 1.00 0.00 N ATOM 405 CA PRO A 31 -5.861 4.802 -9.082 1.00 0.00 C ATOM 406 C PRO A 31 -5.838 3.454 -8.359 1.00 0.00 C ATOM 407 O PRO A 31 -6.873 2.805 -8.216 1.00 0.00 O ATOM 408 CB PRO A 31 -6.307 5.948 -8.189 1.00 0.00 C ATOM 409 CG PRO A 31 -7.751 6.235 -8.568 1.00 0.00 C ATOM 410 CD PRO A 31 -8.037 5.528 -9.883 1.00 0.00 C ATOM 0 HA PRO A 31 -4.835 4.952 -9.417 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.226 5.677 -7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.681 6.828 -8.341 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.427 5.882 -7.790 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.913 7.308 -8.668 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.893 4.859 -9.795 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.270 6.241 -10.674 1.00 0.00 H new ATOM 418 N ILE A 32 -4.647 3.073 -7.921 1.00 0.00 N ATOM 419 CA ILE A 32 -4.476 1.814 -7.216 1.00 0.00 C ATOM 420 C ILE A 32 -5.203 1.885 -5.871 1.00 0.00 C ATOM 421 O ILE A 32 -4.728 2.532 -4.939 1.00 0.00 O ATOM 422 CB ILE A 32 -2.992 1.465 -7.095 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.328 1.409 -8.473 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.796 0.166 -6.311 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.413 0.001 -9.066 1.00 0.00 C ATOM 0 H ILE A 32 -3.791 3.614 -8.041 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.927 0.997 -7.780 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.499 2.258 -6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.812 2.119 -9.143 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.284 1.710 -8.390 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.732 -0.059 -6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.211 0.279 -5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.306 -0.649 -6.824 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.934 -0.011 -10.045 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.907 -0.703 -8.406 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.459 -0.287 -9.170 1.00 0.00 H new ATOM 437 N ILE A 33 -6.342 1.211 -5.814 1.00 0.00 N ATOM 438 CA ILE A 33 -7.138 1.190 -4.599 1.00 0.00 C ATOM 439 C ILE A 33 -7.151 -0.230 -4.028 1.00 0.00 C ATOM 440 O ILE A 33 -7.087 -1.204 -4.776 1.00 0.00 O ATOM 441 CB ILE A 33 -8.534 1.759 -4.863 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.470 3.264 -5.132 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.489 1.422 -3.716 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.310 3.638 -6.355 1.00 0.00 C ATOM 0 H ILE A 33 -6.732 0.676 -6.589 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.694 1.835 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.931 1.287 -5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.829 3.809 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.435 3.565 -5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.474 1.838 -3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.567 0.340 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.108 1.848 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.248 4.713 -6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.933 3.110 -7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.349 3.358 -6.182 1.00 0.00 H new ATOM 456 N VAL A 34 -7.234 -0.301 -2.707 1.00 0.00 N ATOM 457 CA VAL A 34 -7.256 -1.585 -2.027 1.00 0.00 C ATOM 458 C VAL A 34 -8.681 -2.141 -2.042 1.00 0.00 C ATOM 459 O VAL A 34 -9.630 -1.435 -1.704 1.00 0.00 O ATOM 460 CB VAL A 34 -6.686 -1.439 -0.615 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.760 -2.764 0.146 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.251 -0.909 -0.654 1.00 0.00 C ATOM 0 H VAL A 34 -7.287 0.510 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.622 -2.303 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.297 -0.711 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.348 -2.632 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.800 -3.083 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.185 -3.522 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.870 -0.815 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.623 -1.601 -1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.237 0.067 -1.139 1.00 0.00 H new ATOM 472 N THR A 35 -8.786 -3.401 -2.438 1.00 0.00 N ATOM 473 CA THR A 35 -10.080 -4.060 -2.502 1.00 0.00 C ATOM 474 C THR A 35 -10.380 -4.774 -1.183 1.00 0.00 C ATOM 475 O THR A 35 -11.450 -4.592 -0.603 1.00 0.00 O ATOM 476 CB THR A 35 -10.075 -4.996 -3.712 1.00 0.00 C ATOM 477 OG1 THR A 35 -8.762 -5.549 -3.718 1.00 0.00 O ATOM 478 CG2 THR A 35 -10.166 -4.238 -5.039 1.00 0.00 C ATOM 0 H THR A 35 -7.997 -3.983 -2.718 1.00 0.00 H new ATOM 0 HA THR A 35 -10.885 -3.338 -2.635 1.00 0.00 H new ATOM 0 HB THR A 35 -10.909 -5.694 -3.634 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.436 -5.609 -4.640 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.159 -4.949 -5.865 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.090 -3.660 -5.065 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.314 -3.564 -5.132 1.00 0.00 H new ATOM 486 N LYS A 36 -9.417 -5.573 -0.747 1.00 0.00 N ATOM 487 CA LYS A 36 -9.565 -6.315 0.493 1.00 0.00 C ATOM 488 C LYS A 36 -8.324 -6.099 1.363 1.00 0.00 C ATOM 489 O LYS A 36 -7.280 -5.679 0.867 1.00 0.00 O ATOM 490 CB LYS A 36 -9.864 -7.788 0.204 1.00 0.00 C ATOM 491 CG LYS A 36 -11.205 -8.205 0.811 1.00 0.00 C ATOM 492 CD LYS A 36 -11.028 -8.685 2.253 1.00 0.00 C ATOM 493 CE LYS A 36 -11.427 -10.155 2.393 1.00 0.00 C ATOM 494 NZ LYS A 36 -11.452 -10.552 3.819 1.00 0.00 N ATOM 0 H LYS A 36 -8.531 -5.723 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.420 -5.945 1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.881 -7.955 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.067 -8.411 0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.897 -7.363 0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.648 -9.000 0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.990 -8.555 2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.635 -8.074 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.409 -10.315 1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.723 -10.783 1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.725 -11.553 3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.508 -10.418 4.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.141 -9.965 4.331 1.00 0.00 H new ATOM 508 N VAL A 37 -8.481 -6.397 2.645 1.00 0.00 N ATOM 509 CA VAL A 37 -7.387 -6.240 3.588 1.00 0.00 C ATOM 510 C VAL A 37 -7.441 -7.370 4.617 1.00 0.00 C ATOM 511 O VAL A 37 -8.255 -7.337 5.539 1.00 0.00 O ATOM 512 CB VAL A 37 -7.438 -4.849 4.223 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.413 -4.724 5.352 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.233 -3.758 3.171 1.00 0.00 C ATOM 0 H VAL A 37 -9.349 -6.746 3.052 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.428 -6.313 3.076 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.429 -4.714 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.470 -3.726 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.626 -5.467 6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.412 -4.890 4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.274 -2.779 3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.261 -3.889 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.018 -3.827 2.418 1.00 0.00 H new ATOM 524 N THR A 38 -6.564 -8.345 4.427 1.00 0.00 N ATOM 525 CA THR A 38 -6.502 -9.483 5.327 1.00 0.00 C ATOM 526 C THR A 38 -6.502 -9.012 6.783 1.00 0.00 C ATOM 527 O THR A 38 -5.716 -8.143 7.158 1.00 0.00 O ATOM 528 CB THR A 38 -5.270 -10.312 4.957 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.572 -10.824 3.662 1.00 0.00 O ATOM 530 CG2 THR A 38 -5.123 -11.563 5.827 1.00 0.00 C ATOM 0 H THR A 38 -5.890 -8.370 3.662 1.00 0.00 H new ATOM 0 HA THR A 38 -7.382 -10.118 5.223 1.00 0.00 H new ATOM 0 HB THR A 38 -4.376 -9.696 5.053 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.484 -10.108 2.999 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.234 -12.115 5.523 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.029 -11.270 6.873 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.002 -12.196 5.706 1.00 0.00 H new ATOM 606 N ALA A 43 -0.454 -6.235 6.089 1.00 0.00 N ATOM 607 CA ALA A 43 -1.173 -5.028 5.717 1.00 0.00 C ATOM 608 C ALA A 43 -1.872 -4.456 6.952 1.00 0.00 C ATOM 609 O ALA A 43 -1.465 -3.419 7.475 1.00 0.00 O ATOM 610 CB ALA A 43 -2.153 -5.345 4.587 1.00 0.00 C ATOM 0 HA ALA A 43 -0.484 -4.269 5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.692 -4.440 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.604 -5.721 3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.863 -6.101 4.922 1.00 0.00 H new ATOM 616 N GLU A 44 -2.911 -5.155 7.382 1.00 0.00 N ATOM 617 CA GLU A 44 -3.671 -4.730 8.545 1.00 0.00 C ATOM 618 C GLU A 44 -2.728 -4.419 9.710 1.00 0.00 C ATOM 619 O GLU A 44 -2.878 -3.397 10.378 1.00 0.00 O ATOM 620 CB GLU A 44 -4.703 -5.787 8.943 1.00 0.00 C ATOM 621 CG GLU A 44 -5.748 -5.202 9.894 1.00 0.00 C ATOM 622 CD GLU A 44 -7.113 -5.096 9.211 1.00 0.00 C ATOM 623 OE1 GLU A 44 -7.322 -4.079 8.515 1.00 0.00 O ATOM 624 OE2 GLU A 44 -7.917 -6.035 9.401 1.00 0.00 O ATOM 0 H GLU A 44 -3.245 -6.014 6.945 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.213 -3.820 8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.195 -6.174 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.201 -6.628 9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.829 -5.830 10.781 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.428 -4.216 10.230 1.00 0.00 H new ATOM 631 N ALA A 45 -1.778 -5.318 9.916 1.00 0.00 N ATOM 632 CA ALA A 45 -0.811 -5.152 10.988 1.00 0.00 C ATOM 633 C ALA A 45 -0.349 -3.694 11.032 1.00 0.00 C ATOM 634 O ALA A 45 -0.133 -3.140 12.109 1.00 0.00 O ATOM 635 CB ALA A 45 0.352 -6.125 10.783 1.00 0.00 C ATOM 0 H ALA A 45 -1.657 -6.164 9.359 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.264 -5.384 11.952 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.077 -6.000 11.587 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.024 -7.148 10.789 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.833 -5.921 9.826 1.00 0.00 H new ATOM 641 N ALA A 46 -0.213 -3.114 9.849 1.00 0.00 N ATOM 642 CA ALA A 46 0.219 -1.731 9.738 1.00 0.00 C ATOM 643 C ALA A 46 -0.989 -0.809 9.913 1.00 0.00 C ATOM 644 O ALA A 46 -1.379 -0.497 11.038 1.00 0.00 O ATOM 645 CB ALA A 46 0.923 -1.521 8.396 1.00 0.00 C ATOM 0 H ALA A 46 -0.394 -3.577 8.958 1.00 0.00 H new ATOM 0 HA ALA A 46 0.936 -1.489 10.523 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.247 -0.483 8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.791 -2.178 8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.234 -1.752 7.584 1.00 0.00 H new ATOM 651 N ASP A 47 -1.549 -0.398 8.785 1.00 0.00 N ATOM 652 CA ASP A 47 -2.705 0.482 8.799 1.00 0.00 C ATOM 653 C ASP A 47 -3.294 0.566 7.390 1.00 0.00 C ATOM 654 O ASP A 47 -3.830 1.602 6.998 1.00 0.00 O ATOM 655 CB ASP A 47 -2.315 1.896 9.234 1.00 0.00 C ATOM 656 CG ASP A 47 -3.236 2.529 10.278 1.00 0.00 C ATOM 657 OD1 ASP A 47 -4.350 2.933 9.881 1.00 0.00 O ATOM 658 OD2 ASP A 47 -2.806 2.594 11.450 1.00 0.00 O ATOM 0 H ASP A 47 -1.223 -0.659 7.854 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.430 0.075 9.504 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.301 1.870 9.634 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.294 2.538 8.353 1.00 0.00 H new ATOM 663 N LEU A 48 -3.175 -0.538 6.666 1.00 0.00 N ATOM 664 CA LEU A 48 -3.689 -0.602 5.309 1.00 0.00 C ATOM 665 C LEU A 48 -5.171 -0.980 5.347 1.00 0.00 C ATOM 666 O LEU A 48 -5.548 -1.965 5.981 1.00 0.00 O ATOM 667 CB LEU A 48 -2.836 -1.543 4.456 1.00 0.00 C ATOM 668 CG LEU A 48 -3.219 -1.641 2.978 1.00 0.00 C ATOM 669 CD1 LEU A 48 -3.191 -0.265 2.312 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.330 -2.650 2.248 1.00 0.00 C ATOM 0 H LEU A 48 -2.730 -1.395 6.994 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.621 0.375 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.797 -1.219 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.886 -2.541 4.891 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.243 -2.008 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.467 -0.363 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.898 0.396 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.188 0.154 2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.623 -2.701 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.289 -2.336 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.444 -3.633 2.705 1.00 0.00 H new ATOM 682 N ARG A 49 -5.972 -0.178 4.661 1.00 0.00 N ATOM 683 CA ARG A 49 -7.404 -0.417 4.608 1.00 0.00 C ATOM 684 C ARG A 49 -7.884 -0.452 3.155 1.00 0.00 C ATOM 685 O ARG A 49 -7.219 0.077 2.266 1.00 0.00 O ATOM 686 CB ARG A 49 -8.172 0.669 5.365 1.00 0.00 C ATOM 687 CG ARG A 49 -8.710 0.135 6.694 1.00 0.00 C ATOM 688 CD ARG A 49 -9.372 1.250 7.506 1.00 0.00 C ATOM 689 NE ARG A 49 -8.462 1.699 8.583 1.00 0.00 N ATOM 690 CZ ARG A 49 -8.756 2.671 9.458 1.00 0.00 C ATOM 691 NH1 ARG A 49 -9.936 3.302 9.387 1.00 0.00 N ATOM 692 NH2 ARG A 49 -7.870 3.013 10.403 1.00 0.00 N ATOM 0 H ARG A 49 -5.656 0.638 4.137 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.597 -1.380 5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.517 1.521 5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.999 1.029 4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.432 -0.660 6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.895 -0.304 7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.619 2.088 6.854 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.308 0.892 7.935 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.555 1.240 8.665 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.611 3.043 8.667 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.160 4.042 10.053 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.971 2.534 10.457 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.094 3.753 11.069 1.00 0.00 H new ATOM 706 N PRO A 50 -9.064 -1.097 2.955 1.00 0.00 N ATOM 707 CA PRO A 50 -9.640 -1.207 1.625 1.00 0.00 C ATOM 708 C PRO A 50 -10.251 0.123 1.180 1.00 0.00 C ATOM 709 O PRO A 50 -11.104 0.680 1.869 1.00 0.00 O ATOM 710 CB PRO A 50 -10.665 -2.325 1.733 1.00 0.00 C ATOM 711 CG PRO A 50 -10.956 -2.483 3.216 1.00 0.00 C ATOM 712 CD PRO A 50 -9.879 -1.734 3.985 1.00 0.00 C ATOM 0 HA PRO A 50 -8.897 -1.437 0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.572 -2.078 1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.278 -3.252 1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.942 -2.086 3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.960 -3.537 3.494 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.314 -0.996 4.659 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.285 -2.413 4.597 1.00 0.00 H new ATOM 720 N GLY A 51 -9.790 0.593 0.030 1.00 0.00 N ATOM 721 CA GLY A 51 -10.281 1.848 -0.515 1.00 0.00 C ATOM 722 C GLY A 51 -9.168 2.897 -0.562 1.00 0.00 C ATOM 723 O GLY A 51 -9.205 3.809 -1.387 1.00 0.00 O ATOM 0 H GLY A 51 -9.083 0.128 -0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.674 1.684 -1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.107 2.215 0.095 1.00 0.00 H new ATOM 727 N ASP A 52 -8.206 2.733 0.333 1.00 0.00 N ATOM 728 CA ASP A 52 -7.085 3.655 0.404 1.00 0.00 C ATOM 729 C ASP A 52 -6.424 3.754 -0.972 1.00 0.00 C ATOM 730 O ASP A 52 -5.972 2.751 -1.522 1.00 0.00 O ATOM 731 CB ASP A 52 -6.032 3.166 1.400 1.00 0.00 C ATOM 732 CG ASP A 52 -6.458 3.218 2.869 1.00 0.00 C ATOM 733 OD1 ASP A 52 -6.510 4.346 3.405 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.721 2.129 3.422 1.00 0.00 O ATOM 0 H ASP A 52 -8.179 1.975 1.015 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.465 4.624 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.767 2.139 1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.131 3.767 1.277 1.00 0.00 H new ATOM 739 N ILE A 53 -6.388 4.974 -1.490 1.00 0.00 N ATOM 740 CA ILE A 53 -5.789 5.217 -2.791 1.00 0.00 C ATOM 741 C ILE A 53 -4.268 5.290 -2.643 1.00 0.00 C ATOM 742 O ILE A 53 -3.742 6.244 -2.072 1.00 0.00 O ATOM 743 CB ILE A 53 -6.404 6.458 -3.440 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.877 6.224 -3.785 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.593 6.899 -4.660 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.589 7.547 -4.074 1.00 0.00 C ATOM 0 H ILE A 53 -6.764 5.804 -1.032 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.004 4.391 -3.469 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.368 7.274 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.951 5.570 -4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.371 5.714 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.052 7.783 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.574 7.134 -4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.574 6.094 -5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.634 7.353 -4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.534 8.189 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.107 8.043 -4.917 1.00 0.00 H new ATOM 758 N ILE A 54 -3.605 4.270 -3.166 1.00 0.00 N ATOM 759 CA ILE A 54 -2.154 4.207 -3.099 1.00 0.00 C ATOM 760 C ILE A 54 -1.559 5.241 -4.057 1.00 0.00 C ATOM 761 O ILE A 54 -1.672 5.103 -5.274 1.00 0.00 O ATOM 762 CB ILE A 54 -1.668 2.779 -3.355 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.686 1.955 -2.067 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.288 2.781 -4.016 1.00 0.00 C ATOM 765 CD1 ILE A 54 -1.794 0.460 -2.374 1.00 0.00 C ATOM 0 H ILE A 54 -4.045 3.480 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.806 4.462 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.358 2.302 -4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.778 2.148 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.526 2.264 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.035 1.754 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.342 3.308 -4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.427 3.282 -3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.805 -0.103 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.715 0.267 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.940 0.149 -2.975 1.00 0.00 H new ATOM 777 N VAL A 55 -0.937 6.254 -3.471 1.00 0.00 N ATOM 778 CA VAL A 55 -0.323 7.310 -4.257 1.00 0.00 C ATOM 779 C VAL A 55 1.013 6.815 -4.814 1.00 0.00 C ATOM 780 O VAL A 55 1.291 6.972 -6.002 1.00 0.00 O ATOM 781 CB VAL A 55 -0.185 8.579 -3.412 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.231 9.830 -4.291 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.260 8.632 -2.325 1.00 0.00 C ATOM 0 H VAL A 55 -0.845 6.365 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.954 7.569 -5.107 1.00 0.00 H new ATOM 0 HB VAL A 55 0.787 8.551 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.131 10.718 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.587 9.799 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.182 9.866 -4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.140 9.543 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.247 8.626 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.160 7.765 -1.672 1.00 0.00 H new ATOM 793 N ALA A 56 1.806 6.228 -3.929 1.00 0.00 N ATOM 794 CA ALA A 56 3.106 5.709 -4.317 1.00 0.00 C ATOM 795 C ALA A 56 3.311 4.331 -3.683 1.00 0.00 C ATOM 796 O ALA A 56 2.510 3.900 -2.855 1.00 0.00 O ATOM 797 CB ALA A 56 4.195 6.704 -3.913 1.00 0.00 C ATOM 0 H ALA A 56 1.573 6.101 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 56 3.162 5.586 -5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.170 6.314 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.021 7.657 -4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.171 6.851 -2.833 1.00 0.00 H new ATOM 803 N ILE A 57 4.387 3.679 -4.096 1.00 0.00 N ATOM 804 CA ILE A 57 4.707 2.360 -3.579 1.00 0.00 C ATOM 805 C ILE A 57 6.160 2.343 -3.101 1.00 0.00 C ATOM 806 O ILE A 57 7.082 2.243 -3.909 1.00 0.00 O ATOM 807 CB ILE A 57 4.390 1.284 -4.620 1.00 0.00 C ATOM 808 CG1 ILE A 57 2.882 1.043 -4.717 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.159 -0.006 -4.328 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.541 0.188 -5.939 1.00 0.00 C ATOM 0 H ILE A 57 5.049 4.040 -4.783 1.00 0.00 H new ATOM 0 HA ILE A 57 4.084 2.129 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 57 4.722 1.643 -5.594 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.530 0.547 -3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.361 1.998 -4.780 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.915 -0.754 -5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.230 0.196 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.880 -0.381 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.463 0.032 -5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.872 0.698 -6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.044 -0.776 -5.861 1.00 0.00 H new ATOM 822 N ASN A 58 6.320 2.441 -1.789 1.00 0.00 N ATOM 823 CA ASN A 58 7.645 2.438 -1.194 1.00 0.00 C ATOM 824 C ASN A 58 8.352 3.753 -1.527 1.00 0.00 C ATOM 825 O ASN A 58 9.539 3.912 -1.247 1.00 0.00 O ATOM 826 CB ASN A 58 8.494 1.291 -1.746 1.00 0.00 C ATOM 827 CG ASN A 58 8.878 0.310 -0.637 1.00 0.00 C ATOM 828 OD1 ASN A 58 8.570 0.498 0.529 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.567 -0.745 -1.062 1.00 0.00 N ATOM 0 H ASN A 58 5.553 2.523 -1.121 1.00 0.00 H new ATOM 0 HA ASN A 58 7.531 2.316 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.941 0.766 -2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.395 1.692 -2.210 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.871 -1.457 -0.398 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.792 -0.842 -2.052 1.00 0.00 H new ATOM 836 N GLY A 59 7.593 4.662 -2.122 1.00 0.00 N ATOM 837 CA GLY A 59 8.132 5.958 -2.497 1.00 0.00 C ATOM 838 C GLY A 59 8.023 6.181 -4.006 1.00 0.00 C ATOM 839 O GLY A 59 8.200 7.300 -4.486 1.00 0.00 O ATOM 0 H GLY A 59 6.609 4.526 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.594 6.746 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.176 6.024 -2.190 1.00 0.00 H new ATOM 843 N GLN A 60 7.732 5.099 -4.713 1.00 0.00 N ATOM 844 CA GLN A 60 7.598 5.163 -6.158 1.00 0.00 C ATOM 845 C GLN A 60 6.150 5.475 -6.543 1.00 0.00 C ATOM 846 O GLN A 60 5.242 4.703 -6.237 1.00 0.00 O ATOM 847 CB GLN A 60 8.070 3.862 -6.811 1.00 0.00 C ATOM 848 CG GLN A 60 7.644 3.799 -8.279 1.00 0.00 C ATOM 849 CD GLN A 60 8.504 4.726 -9.140 1.00 0.00 C ATOM 850 OE1 GLN A 60 9.709 4.825 -8.978 1.00 0.00 O ATOM 851 NE2 GLN A 60 7.820 5.396 -10.063 1.00 0.00 N ATOM 0 H GLN A 60 7.585 4.173 -4.312 1.00 0.00 H new ATOM 0 HA GLN A 60 8.234 5.968 -6.527 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.155 3.788 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.657 3.010 -6.272 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.730 2.775 -8.643 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.595 4.082 -8.369 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.812 5.266 -10.145 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.304 6.040 -10.689 1.00 0.00 H new ATOM 860 N SER A 61 5.979 6.608 -7.209 1.00 0.00 N ATOM 861 CA SER A 61 4.658 7.031 -7.639 1.00 0.00 C ATOM 862 C SER A 61 3.860 5.826 -8.142 1.00 0.00 C ATOM 863 O SER A 61 4.405 4.955 -8.817 1.00 0.00 O ATOM 864 CB SER A 61 4.750 8.100 -8.730 1.00 0.00 C ATOM 865 OG SER A 61 4.901 9.408 -8.184 1.00 0.00 O ATOM 0 H SER A 61 6.734 7.246 -7.461 1.00 0.00 H new ATOM 0 HA SER A 61 4.143 7.467 -6.783 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.595 7.880 -9.383 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.852 8.066 -9.347 1.00 0.00 H new ATOM 0 HG SER A 61 4.958 10.062 -8.912 1.00 0.00 H new ATOM 871 N ALA A 62 2.582 5.816 -7.794 1.00 0.00 N ATOM 872 CA ALA A 62 1.704 4.733 -8.202 1.00 0.00 C ATOM 873 C ALA A 62 0.572 5.296 -9.064 1.00 0.00 C ATOM 874 O ALA A 62 -0.294 4.552 -9.521 1.00 0.00 O ATOM 875 CB ALA A 62 1.184 4.002 -6.962 1.00 0.00 C ATOM 0 H ALA A 62 2.133 6.541 -7.234 1.00 0.00 H new ATOM 0 HA ALA A 62 2.247 4.006 -8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.525 3.189 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.025 3.595 -6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.631 4.700 -6.333 1.00 0.00 H new ATOM 881 N GLU A 63 0.617 6.606 -9.260 1.00 0.00 N ATOM 882 CA GLU A 63 -0.394 7.277 -10.059 1.00 0.00 C ATOM 883 C GLU A 63 -0.462 6.660 -11.458 1.00 0.00 C ATOM 884 O GLU A 63 -1.548 6.465 -12.002 1.00 0.00 O ATOM 885 CB GLU A 63 -0.122 8.781 -10.136 1.00 0.00 C ATOM 886 CG GLU A 63 -1.298 9.580 -9.571 1.00 0.00 C ATOM 887 CD GLU A 63 -1.652 10.755 -10.486 1.00 0.00 C ATOM 888 OE1 GLU A 63 -2.263 10.487 -11.543 1.00 0.00 O ATOM 889 OE2 GLU A 63 -1.304 11.894 -10.106 1.00 0.00 O ATOM 0 H GLU A 63 1.337 7.220 -8.879 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.361 7.140 -9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.785 9.019 -9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.054 9.070 -11.172 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.164 8.928 -9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.047 9.951 -8.577 1.00 0.00 H new ATOM 896 N ASN A 64 0.712 6.371 -11.999 1.00 0.00 N ATOM 897 CA ASN A 64 0.800 5.780 -13.324 1.00 0.00 C ATOM 898 C ASN A 64 1.376 4.367 -13.210 1.00 0.00 C ATOM 899 O ASN A 64 2.300 4.009 -13.939 1.00 0.00 O ATOM 900 CB ASN A 64 1.723 6.596 -14.231 1.00 0.00 C ATOM 901 CG ASN A 64 1.030 7.870 -14.716 1.00 0.00 C ATOM 902 OD1 ASN A 64 0.007 7.837 -15.381 1.00 0.00 O ATOM 903 ND2 ASN A 64 1.641 8.992 -14.348 1.00 0.00 N ATOM 0 H ASN A 64 1.610 6.535 -11.544 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.202 5.762 -13.753 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.633 6.856 -13.690 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.023 5.993 -15.088 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.256 9.896 -14.622 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.495 8.949 -13.791 1.00 0.00 H new ATOM 910 N MET A 65 0.805 3.602 -12.291 1.00 0.00 N ATOM 911 CA MET A 65 1.251 2.237 -12.073 1.00 0.00 C ATOM 912 C MET A 65 0.211 1.234 -12.576 1.00 0.00 C ATOM 913 O MET A 65 -0.955 1.295 -12.187 1.00 0.00 O ATOM 914 CB MET A 65 1.496 2.012 -10.579 1.00 0.00 C ATOM 915 CG MET A 65 2.981 2.157 -10.240 1.00 0.00 C ATOM 916 SD MET A 65 3.280 1.617 -8.565 1.00 0.00 S ATOM 917 CE MET A 65 4.979 2.131 -8.372 1.00 0.00 C ATOM 0 H MET A 65 0.038 3.902 -11.689 1.00 0.00 H new ATOM 0 HA MET A 65 2.176 2.084 -12.629 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.915 2.729 -9.999 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.150 1.018 -10.295 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.580 1.567 -10.934 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.289 3.196 -10.356 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.603 1.259 -8.174 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.317 2.620 -9.286 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.056 2.829 -7.538 1.00 0.00 H new ATOM 927 N LEU A 66 0.669 0.334 -13.433 1.00 0.00 N ATOM 928 CA LEU A 66 -0.207 -0.681 -13.993 1.00 0.00 C ATOM 929 C LEU A 66 -0.594 -1.676 -12.897 1.00 0.00 C ATOM 930 O LEU A 66 0.127 -1.833 -11.913 1.00 0.00 O ATOM 931 CB LEU A 66 0.442 -1.334 -15.215 1.00 0.00 C ATOM 932 CG LEU A 66 1.029 -0.377 -16.255 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.364 -0.900 -16.789 1.00 0.00 C ATOM 934 CD2 LEU A 66 0.028 -0.108 -17.380 1.00 0.00 C ATOM 0 H LEU A 66 1.636 0.286 -13.754 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.131 -0.229 -14.355 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.237 -1.995 -14.870 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.303 -1.960 -15.706 1.00 0.00 H new ATOM 0 HG LEU A 66 1.228 0.577 -15.767 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.760 -0.202 -17.526 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.072 -0.998 -15.966 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.213 -1.873 -17.256 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.471 0.575 -18.105 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.226 -1.046 -17.873 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.875 0.339 -16.964 1.00 0.00 H new ATOM 946 N HIS A 67 -1.733 -2.322 -13.104 1.00 0.00 N ATOM 947 CA HIS A 67 -2.224 -3.297 -12.146 1.00 0.00 C ATOM 948 C HIS A 67 -1.169 -4.383 -11.931 1.00 0.00 C ATOM 949 O HIS A 67 -1.184 -5.077 -10.916 1.00 0.00 O ATOM 950 CB HIS A 67 -3.575 -3.862 -12.590 1.00 0.00 C ATOM 951 CG HIS A 67 -4.257 -4.714 -11.547 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.215 -4.216 -10.681 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.112 -6.036 -11.242 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.619 -5.202 -9.893 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.934 -6.328 -10.242 1.00 0.00 N ATOM 0 H HIS A 67 -2.329 -2.189 -13.921 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.396 -2.812 -11.185 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.233 -3.035 -12.856 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.430 -4.457 -13.492 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.553 -3.254 -10.654 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.442 -6.727 -11.731 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.361 -5.127 -9.112 1.00 0.00 H new ATOM 963 N ALA A 68 -0.277 -4.497 -12.905 1.00 0.00 N ATOM 964 CA ALA A 68 0.784 -5.488 -12.835 1.00 0.00 C ATOM 965 C ALA A 68 2.036 -4.846 -12.233 1.00 0.00 C ATOM 966 O ALA A 68 2.883 -5.539 -11.671 1.00 0.00 O ATOM 967 CB ALA A 68 1.037 -6.063 -14.230 1.00 0.00 C ATOM 0 H ALA A 68 -0.267 -3.920 -13.746 1.00 0.00 H new ATOM 0 HA ALA A 68 0.495 -6.316 -12.188 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.833 -6.806 -14.178 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.126 -6.532 -14.601 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.333 -5.261 -14.906 1.00 0.00 H new ATOM 973 N GLU A 69 2.112 -3.531 -12.371 1.00 0.00 N ATOM 974 CA GLU A 69 3.246 -2.789 -11.847 1.00 0.00 C ATOM 975 C GLU A 69 3.203 -2.762 -10.318 1.00 0.00 C ATOM 976 O GLU A 69 4.127 -3.235 -9.659 1.00 0.00 O ATOM 977 CB GLU A 69 3.285 -1.370 -12.420 1.00 0.00 C ATOM 978 CG GLU A 69 3.768 -1.377 -13.871 1.00 0.00 C ATOM 979 CD GLU A 69 5.186 -0.812 -13.980 1.00 0.00 C ATOM 980 OE1 GLU A 69 6.080 -1.395 -13.330 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.343 0.190 -14.710 1.00 0.00 O ATOM 0 H GLU A 69 1.407 -2.960 -12.838 1.00 0.00 H new ATOM 0 HA GLU A 69 4.160 -3.296 -12.156 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.291 -0.925 -12.366 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.946 -0.748 -11.816 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.748 -2.395 -14.260 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.089 -0.787 -14.487 1.00 0.00 H new ATOM 988 N ALA A 70 2.119 -2.204 -9.798 1.00 0.00 N ATOM 989 CA ALA A 70 1.943 -2.109 -8.359 1.00 0.00 C ATOM 990 C ALA A 70 1.981 -3.513 -7.752 1.00 0.00 C ATOM 991 O ALA A 70 2.343 -3.680 -6.588 1.00 0.00 O ATOM 992 CB ALA A 70 0.636 -1.376 -8.052 1.00 0.00 C ATOM 0 H ALA A 70 1.354 -1.813 -10.348 1.00 0.00 H new ATOM 0 HA ALA A 70 2.752 -1.533 -7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.504 -1.305 -6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.671 -0.374 -8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.200 -1.926 -8.484 1.00 0.00 H new ATOM 998 N GLN A 71 1.602 -4.486 -8.567 1.00 0.00 N ATOM 999 CA GLN A 71 1.588 -5.870 -8.124 1.00 0.00 C ATOM 1000 C GLN A 71 3.016 -6.412 -8.033 1.00 0.00 C ATOM 1001 O GLN A 71 3.368 -7.086 -7.066 1.00 0.00 O ATOM 1002 CB GLN A 71 0.732 -6.734 -9.052 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.748 -6.646 -8.671 1.00 0.00 C ATOM 1004 CD GLN A 71 -1.000 -7.278 -7.301 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.128 -7.880 -6.696 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.238 -7.107 -6.846 1.00 0.00 N ATOM 0 H GLN A 71 1.302 -4.344 -9.532 1.00 0.00 H new ATOM 0 HA GLN A 71 1.141 -5.909 -7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.866 -6.409 -10.084 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.064 -7.771 -8.999 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.062 -5.602 -8.657 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.352 -7.151 -9.425 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.920 -6.592 -7.404 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.506 -7.490 -5.940 1.00 0.00 H new ATOM 1015 N SER A 72 3.800 -6.099 -9.055 1.00 0.00 N ATOM 1016 CA SER A 72 5.182 -6.547 -9.102 1.00 0.00 C ATOM 1017 C SER A 72 5.991 -5.865 -7.998 1.00 0.00 C ATOM 1018 O SER A 72 6.622 -6.535 -7.181 1.00 0.00 O ATOM 1019 CB SER A 72 5.806 -6.263 -10.470 1.00 0.00 C ATOM 1020 OG SER A 72 7.124 -6.793 -10.575 1.00 0.00 O ATOM 0 H SER A 72 3.505 -5.541 -9.856 1.00 0.00 H new ATOM 0 HA SER A 72 5.198 -7.625 -8.942 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.179 -6.693 -11.251 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.833 -5.187 -10.640 1.00 0.00 H new ATOM 0 HG SER A 72 7.487 -6.593 -11.463 1.00 0.00 H new ATOM 1026 N LYS A 73 5.947 -4.540 -8.008 1.00 0.00 N ATOM 1027 CA LYS A 73 6.669 -3.760 -7.017 1.00 0.00 C ATOM 1028 C LYS A 73 6.360 -4.305 -5.621 1.00 0.00 C ATOM 1029 O LYS A 73 7.268 -4.689 -4.886 1.00 0.00 O ATOM 1030 CB LYS A 73 6.358 -2.271 -7.178 1.00 0.00 C ATOM 1031 CG LYS A 73 7.469 -1.559 -7.952 1.00 0.00 C ATOM 1032 CD LYS A 73 7.028 -1.251 -9.384 1.00 0.00 C ATOM 1033 CE LYS A 73 7.807 -0.064 -9.954 1.00 0.00 C ATOM 1034 NZ LYS A 73 9.097 -0.515 -10.524 1.00 0.00 N ATOM 0 H LYS A 73 5.423 -3.988 -8.686 1.00 0.00 H new ATOM 0 HA LYS A 73 7.744 -3.856 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.410 -2.149 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.242 -1.812 -6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.736 -0.633 -7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.363 -2.183 -7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.183 -2.128 -10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.960 -1.032 -9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.215 0.430 -10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.987 0.671 -9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.613 0.303 -10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.666 -0.966 -9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.919 -1.199 -11.287 1.00 0.00 H new ATOM 1048 N ILE A 74 5.075 -4.323 -5.298 1.00 0.00 N ATOM 1049 CA ILE A 74 4.635 -4.815 -4.004 1.00 0.00 C ATOM 1050 C ILE A 74 5.239 -6.199 -3.757 1.00 0.00 C ATOM 1051 O ILE A 74 5.859 -6.434 -2.720 1.00 0.00 O ATOM 1052 CB ILE A 74 3.109 -4.785 -3.909 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.609 -3.385 -3.547 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.599 -5.846 -2.932 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.192 -3.154 -4.076 1.00 0.00 C ATOM 0 H ILE A 74 4.324 -4.005 -5.911 1.00 0.00 H new ATOM 0 HA ILE A 74 4.993 -4.163 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 74 2.701 -5.029 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.622 -3.259 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.283 -2.636 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.511 -5.803 -2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.908 -6.834 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.014 -5.658 -1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.861 -2.151 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.188 -3.256 -5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.516 -3.889 -3.639 1.00 0.00 H new ATOM 1067 N ARG A 75 5.038 -7.079 -4.727 1.00 0.00 N ATOM 1068 CA ARG A 75 5.555 -8.433 -4.628 1.00 0.00 C ATOM 1069 C ARG A 75 7.083 -8.413 -4.546 1.00 0.00 C ATOM 1070 O ARG A 75 7.698 -9.386 -4.112 1.00 0.00 O ATOM 1071 CB ARG A 75 5.127 -9.275 -5.831 1.00 0.00 C ATOM 1072 CG ARG A 75 5.418 -10.759 -5.594 1.00 0.00 C ATOM 1073 CD ARG A 75 4.578 -11.638 -6.522 1.00 0.00 C ATOM 1074 NE ARG A 75 5.439 -12.643 -7.184 1.00 0.00 N ATOM 1075 CZ ARG A 75 5.995 -13.687 -6.555 1.00 0.00 C ATOM 1076 NH1 ARG A 75 5.783 -13.870 -5.245 1.00 0.00 N ATOM 1077 NH2 ARG A 75 6.763 -14.548 -7.236 1.00 0.00 N ATOM 0 H ARG A 75 4.524 -6.880 -5.585 1.00 0.00 H new ATOM 0 HA ARG A 75 5.145 -8.879 -3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.062 -9.135 -6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.654 -8.935 -6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.477 -10.957 -5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.206 -11.013 -4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.794 -12.137 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.083 -11.021 -7.272 1.00 0.00 H new ATOM 0 HE ARG A 75 5.621 -12.534 -8.182 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.198 -13.214 -4.727 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.206 -14.665 -4.766 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.924 -14.409 -8.233 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.186 -15.343 -6.757 1.00 0.00 H new ATOM 1091 N GLN A 76 7.652 -7.294 -4.969 1.00 0.00 N ATOM 1092 CA GLN A 76 9.096 -7.135 -4.949 1.00 0.00 C ATOM 1093 C GLN A 76 9.491 -5.994 -4.008 1.00 0.00 C ATOM 1094 O GLN A 76 10.478 -5.300 -4.248 1.00 0.00 O ATOM 1095 CB GLN A 76 9.641 -6.897 -6.358 1.00 0.00 C ATOM 1096 CG GLN A 76 9.022 -7.875 -7.358 1.00 0.00 C ATOM 1097 CD GLN A 76 10.090 -8.787 -7.967 1.00 0.00 C ATOM 1098 OE1 GLN A 76 10.958 -9.308 -7.287 1.00 0.00 O ATOM 1099 NE2 GLN A 76 9.977 -8.949 -9.282 1.00 0.00 N ATOM 0 H GLN A 76 7.139 -6.489 -5.328 1.00 0.00 H new ATOM 0 HA GLN A 76 9.539 -8.058 -4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.428 -5.873 -6.666 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.725 -7.011 -6.356 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.264 -8.479 -6.859 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.518 -7.321 -8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.226 -8.483 -9.791 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.642 -9.539 -9.782 1.00 0.00 H new ATOM 1108 N SER A 77 8.700 -5.836 -2.957 1.00 0.00 N ATOM 1109 CA SER A 77 8.955 -4.792 -1.979 1.00 0.00 C ATOM 1110 C SER A 77 9.470 -5.408 -0.677 1.00 0.00 C ATOM 1111 O SER A 77 8.842 -6.307 -0.121 1.00 0.00 O ATOM 1112 CB SER A 77 7.694 -3.967 -1.714 1.00 0.00 C ATOM 1113 OG SER A 77 7.764 -2.676 -2.314 1.00 0.00 O ATOM 0 H SER A 77 7.882 -6.413 -2.761 1.00 0.00 H new ATOM 0 HA SER A 77 9.716 -4.124 -2.382 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.825 -4.499 -2.100 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.550 -3.860 -0.639 1.00 0.00 H new ATOM 0 HG SER A 77 6.948 -2.511 -2.831 1.00 0.00 H new ATOM 1119 N ALA A 78 10.609 -4.900 -0.229 1.00 0.00 N ATOM 1120 CA ALA A 78 11.215 -5.390 0.997 1.00 0.00 C ATOM 1121 C ALA A 78 10.422 -4.869 2.197 1.00 0.00 C ATOM 1122 O ALA A 78 9.540 -4.025 2.043 1.00 0.00 O ATOM 1123 CB ALA A 78 12.686 -4.968 1.043 1.00 0.00 C ATOM 0 H ALA A 78 11.128 -4.154 -0.693 1.00 0.00 H new ATOM 0 HA ALA A 78 11.186 -6.479 1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.141 -5.335 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.212 -5.387 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.754 -3.880 1.014 1.00 0.00 H new ATOM 1129 N SER A 79 10.763 -5.393 3.365 1.00 0.00 N ATOM 1130 CA SER A 79 10.094 -4.992 4.590 1.00 0.00 C ATOM 1131 C SER A 79 11.021 -4.109 5.428 1.00 0.00 C ATOM 1132 O SER A 79 12.216 -4.379 5.530 1.00 0.00 O ATOM 1133 CB SER A 79 9.648 -6.211 5.399 1.00 0.00 C ATOM 1134 OG SER A 79 9.393 -5.883 6.762 1.00 0.00 O ATOM 0 H SER A 79 11.495 -6.093 3.489 1.00 0.00 H new ATOM 0 HA SER A 79 9.204 -4.422 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.747 -6.632 4.953 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.418 -6.981 5.349 1.00 0.00 H new ATOM 0 HG SER A 79 9.265 -6.706 7.278 1.00 0.00 H new ATOM 1140 N PRO A 80 10.419 -3.044 6.021 1.00 0.00 N ATOM 1141 CA PRO A 80 8.997 -2.795 5.849 1.00 0.00 C ATOM 1142 C PRO A 80 8.704 -2.230 4.458 1.00 0.00 C ATOM 1143 O PRO A 80 9.603 -1.724 3.787 1.00 0.00 O ATOM 1144 CB PRO A 80 8.627 -1.838 6.970 1.00 0.00 C ATOM 1145 CG PRO A 80 9.934 -1.223 7.442 1.00 0.00 C ATOM 1146 CD PRO A 80 11.072 -2.051 6.869 1.00 0.00 C ATOM 0 HA PRO A 80 8.400 -3.705 5.908 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.939 -1.070 6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.127 -2.364 7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.011 -0.188 7.110 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.980 -1.213 8.531 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.762 -1.432 6.295 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.653 -2.526 7.660 1.00 0.00 H new ATOM 1154 N LEU A 81 7.443 -2.335 4.065 1.00 0.00 N ATOM 1155 CA LEU A 81 7.020 -1.840 2.766 1.00 0.00 C ATOM 1156 C LEU A 81 6.206 -0.559 2.954 1.00 0.00 C ATOM 1157 O LEU A 81 5.084 -0.600 3.458 1.00 0.00 O ATOM 1158 CB LEU A 81 6.279 -2.932 1.993 1.00 0.00 C ATOM 1159 CG LEU A 81 5.149 -2.456 1.077 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.706 -1.817 -0.196 1.00 0.00 C ATOM 1161 CD2 LEU A 81 4.177 -3.597 0.768 1.00 0.00 C ATOM 0 H LEU A 81 6.700 -2.756 4.624 1.00 0.00 H new ATOM 0 HA LEU A 81 7.885 -1.581 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.004 -3.478 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.864 -3.640 2.711 1.00 0.00 H new ATOM 0 HG LEU A 81 4.585 -1.685 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.882 -1.488 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.325 -0.960 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.309 -2.547 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.384 -3.232 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.712 -4.406 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.742 -3.966 1.697 1.00 0.00 H new ATOM 1173 N ARG A 82 6.801 0.549 2.538 1.00 0.00 N ATOM 1174 CA ARG A 82 6.145 1.841 2.654 1.00 0.00 C ATOM 1175 C ARG A 82 5.107 2.010 1.542 1.00 0.00 C ATOM 1176 O ARG A 82 5.350 1.631 0.398 1.00 0.00 O ATOM 1177 CB ARG A 82 7.160 2.983 2.573 1.00 0.00 C ATOM 1178 CG ARG A 82 7.192 3.781 3.879 1.00 0.00 C ATOM 1179 CD ARG A 82 8.334 4.799 3.871 1.00 0.00 C ATOM 1180 NE ARG A 82 7.834 6.123 4.302 1.00 0.00 N ATOM 1181 CZ ARG A 82 7.523 6.434 5.567 1.00 0.00 C ATOM 1182 NH1 ARG A 82 7.659 5.517 6.535 1.00 0.00 N ATOM 1183 NH2 ARG A 82 7.077 7.662 5.866 1.00 0.00 N ATOM 0 H ARG A 82 7.731 0.579 2.120 1.00 0.00 H new ATOM 0 HA ARG A 82 5.652 1.877 3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.151 2.580 2.365 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.904 3.644 1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.242 4.296 4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.312 3.101 4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.132 4.468 4.536 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.762 4.870 2.871 1.00 0.00 H new ATOM 0 HE ARG A 82 7.719 6.845 3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.999 4.583 6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.422 5.754 7.499 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.974 8.361 5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.840 7.898 6.830 1.00 0.00 H new ATOM 1197 N LEU A 83 3.972 2.580 1.919 1.00 0.00 N ATOM 1198 CA LEU A 83 2.896 2.805 0.968 1.00 0.00 C ATOM 1199 C LEU A 83 2.226 4.146 1.271 1.00 0.00 C ATOM 1200 O LEU A 83 1.643 4.326 2.339 1.00 0.00 O ATOM 1201 CB LEU A 83 1.928 1.620 0.966 1.00 0.00 C ATOM 1202 CG LEU A 83 2.481 0.303 0.419 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.487 -0.841 0.634 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.883 0.444 -1.050 1.00 0.00 C ATOM 0 H LEU A 83 3.774 2.893 2.869 1.00 0.00 H new ATOM 0 HA LEU A 83 3.290 2.867 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.589 1.452 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.051 1.894 0.380 1.00 0.00 H new ATOM 0 HG LEU A 83 3.384 0.055 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.905 -1.766 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.294 -0.959 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.554 -0.614 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.273 -0.507 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.012 0.728 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.651 1.211 -1.145 1.00 0.00 H new ATOM 1216 N GLN A 84 2.331 5.054 0.311 1.00 0.00 N ATOM 1217 CA GLN A 84 1.743 6.374 0.461 1.00 0.00 C ATOM 1218 C GLN A 84 0.285 6.361 -0.004 1.00 0.00 C ATOM 1219 O GLN A 84 0.011 6.242 -1.197 1.00 0.00 O ATOM 1220 CB GLN A 84 2.552 7.425 -0.301 1.00 0.00 C ATOM 1221 CG GLN A 84 2.212 8.836 0.184 1.00 0.00 C ATOM 1222 CD GLN A 84 2.511 9.875 -0.899 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.013 9.568 -1.968 1.00 0.00 O ATOM 1224 NE2 GLN A 84 2.175 11.117 -0.564 1.00 0.00 N ATOM 0 H GLN A 84 2.815 4.901 -0.574 1.00 0.00 H new ATOM 0 HA GLN A 84 1.765 6.642 1.517 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.617 7.237 -0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.346 7.344 -1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.159 8.886 0.460 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.787 9.065 1.081 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.758 11.304 0.348 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.334 11.883 -1.219 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.612 6.485 0.963 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.035 6.490 0.668 1.00 0.00 C ATOM 1235 C LEU A 85 -2.523 7.935 0.553 1.00 0.00 C ATOM 1236 O LEU A 85 -2.018 8.821 1.241 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.800 5.662 1.703 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.183 4.310 2.069 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.934 3.662 3.234 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.115 3.390 0.848 1.00 0.00 C ATOM 0 H LEU A 85 -0.381 6.583 1.952 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.226 6.012 -0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.896 6.254 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.809 5.489 1.327 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.159 4.480 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.475 2.703 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.887 4.315 4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.976 3.506 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.673 2.436 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.121 3.222 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.503 3.856 0.075 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.501 8.128 -0.320 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.063 9.451 -0.533 1.00 0.00 C ATOM 1254 C ASP A 86 -5.392 9.562 0.218 1.00 0.00 C ATOM 1255 O ASP A 86 -6.416 9.066 -0.249 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.336 9.701 -2.017 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.803 11.028 -2.559 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -3.495 11.901 -1.719 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -3.714 11.140 -3.801 1.00 0.00 O ATOM 0 H ASP A 86 -3.918 7.391 -0.888 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.344 10.186 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.896 8.888 -2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.413 9.664 -2.184 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.332 10.218 1.368 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.518 10.401 2.187 1.00 0.00 C ATOM 1266 C ARG A 87 -6.938 11.872 2.192 1.00 0.00 C ATOM 1267 O ARG A 87 -6.300 12.701 2.839 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.269 9.944 3.626 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.581 9.567 4.316 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.457 8.219 5.030 1.00 0.00 C ATOM 1271 NE ARG A 87 -8.122 7.162 4.235 1.00 0.00 N ATOM 1272 CZ ARG A 87 -8.461 5.959 4.719 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -8.200 5.654 5.997 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -9.061 5.063 3.924 1.00 0.00 N ATOM 0 H ARG A 87 -4.481 10.629 1.752 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.315 9.794 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.594 9.088 3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.776 10.740 4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.853 10.340 5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.383 9.520 3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.406 7.970 5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.909 8.280 6.020 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.336 7.362 3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.743 6.337 6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.458 4.739 6.366 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.259 5.297 2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.319 4.147 4.292 1.00 0.00 H new ATOM 1288 N SER A 88 -8.008 12.151 1.462 1.00 0.00 N ATOM 1289 CA SER A 88 -8.521 13.508 1.374 1.00 0.00 C ATOM 1290 C SER A 88 -10.006 13.483 1.006 1.00 0.00 C ATOM 1291 O SER A 88 -10.361 13.627 -0.163 1.00 0.00 O ATOM 1292 CB SER A 88 -7.734 14.329 0.351 1.00 0.00 C ATOM 1293 OG SER A 88 -8.270 15.639 0.192 1.00 0.00 O ATOM 0 H SER A 88 -8.534 11.461 0.926 1.00 0.00 H new ATOM 0 HA SER A 88 -8.403 13.982 2.348 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.693 14.399 0.666 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.742 13.815 -0.610 1.00 0.00 H new ATOM 0 HG SER A 88 -7.739 16.132 -0.468 1.00 0.00 H new