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= -0.417 K(o=-3.3,f=-5.8!) USER MOD Set 1.2: A 77 SER OG : rot 130:sc= -2.9! USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.785 K(o=-0.78,f=-0.038) USER MOD Single : A 30 THR OG1 : rot -159:sc= -2.69 USER MOD Single : A 35 THR OG1 : rot -150:sc= -0.839 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 66:sc= 0.875 USER MOD Single : A 60 GLN : amide:sc= -0.339 K(o=-0.34,f=-3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-2.4) USER MOD Single : A 65 MET CE :methyl -123:sc= -2.35 (180deg=-8.29!) USER MOD Single : A 67 HIS : no HE2:sc= -0.221 X(o=-0.22,f=-0.075) USER MOD Single : A 71 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.9!) 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= -0.0136 X(o=-0.014,f=-0.13) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.465 X(o=-0.46,f=-0.38) USER MOD Single : A 88 SER OG : rot 180:sc=-0.00545 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.497 13.080 2.190 1.00 0.00 N ATOM 60 CA GLY A 7 -1.881 11.797 1.897 1.00 0.00 C ATOM 61 C GLY A 7 -1.000 11.334 3.060 1.00 0.00 C ATOM 62 O GLY A 7 -0.108 12.060 3.495 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.654 11.054 1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.281 11.876 0.990 1.00 0.00 H new ATOM 66 N LEU A 8 -1.282 10.127 3.529 1.00 0.00 N ATOM 67 CA LEU A 8 -0.526 9.558 4.632 1.00 0.00 C ATOM 68 C LEU A 8 0.188 8.292 4.156 1.00 0.00 C ATOM 69 O LEU A 8 -0.234 7.664 3.187 1.00 0.00 O ATOM 70 CB LEU A 8 -1.434 9.333 5.843 1.00 0.00 C ATOM 71 CG LEU A 8 -1.305 7.975 6.535 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.713 8.068 8.006 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.099 6.902 5.787 1.00 0.00 C ATOM 0 H LEU A 8 -2.023 9.528 3.166 1.00 0.00 H new ATOM 0 HA LEU A 8 0.245 10.253 4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.228 10.113 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.469 9.459 5.525 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.257 7.677 6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.612 7.089 8.474 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.069 8.783 8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.749 8.398 8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.991 5.946 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.152 7.182 5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.720 6.813 4.769 1.00 0.00 H new ATOM 85 N THR A 9 1.259 7.955 4.859 1.00 0.00 N ATOM 86 CA THR A 9 2.037 6.776 4.521 1.00 0.00 C ATOM 87 C THR A 9 1.796 5.666 5.546 1.00 0.00 C ATOM 88 O THR A 9 1.320 5.928 6.649 1.00 0.00 O ATOM 89 CB THR A 9 3.505 7.192 4.410 1.00 0.00 C ATOM 90 OG1 THR A 9 3.542 8.031 3.258 1.00 0.00 O ATOM 91 CG2 THR A 9 4.420 6.021 4.048 1.00 0.00 C ATOM 0 H THR A 9 1.607 8.479 5.662 1.00 0.00 H new ATOM 0 HA THR A 9 1.729 6.362 3.561 1.00 0.00 H new ATOM 0 HB THR A 9 3.831 7.628 5.354 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.458 8.347 3.113 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.450 6.371 3.982 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.347 5.251 4.816 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.116 5.605 3.087 1.00 0.00 H new ATOM 99 N VAL A 10 2.136 4.450 5.145 1.00 0.00 N ATOM 100 CA VAL A 10 1.963 3.299 6.015 1.00 0.00 C ATOM 101 C VAL A 10 3.204 2.408 5.929 1.00 0.00 C ATOM 102 O VAL A 10 3.825 2.303 4.872 1.00 0.00 O ATOM 103 CB VAL A 10 0.672 2.561 5.656 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.668 2.147 4.183 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.461 1.349 6.566 1.00 0.00 C ATOM 0 H VAL A 10 2.531 4.237 4.229 1.00 0.00 H new ATOM 0 HA VAL A 10 1.862 3.617 7.053 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.160 3.247 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.261 1.624 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.749 3.035 3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.513 1.487 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.464 0.843 6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.299 0.661 6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.397 1.679 7.603 1.00 0.00 H new ATOM 115 N ASP A 11 3.529 1.790 7.055 1.00 0.00 N ATOM 116 CA ASP A 11 4.685 0.912 7.120 1.00 0.00 C ATOM 117 C ASP A 11 4.214 -0.529 7.327 1.00 0.00 C ATOM 118 O ASP A 11 3.721 -0.877 8.399 1.00 0.00 O ATOM 119 CB ASP A 11 5.594 1.285 8.292 1.00 0.00 C ATOM 120 CG ASP A 11 4.870 1.834 9.524 1.00 0.00 C ATOM 121 OD1 ASP A 11 4.100 1.053 10.124 1.00 0.00 O ATOM 122 OD2 ASP A 11 5.103 3.021 9.837 1.00 0.00 O ATOM 0 H ASP A 11 3.012 1.880 7.930 1.00 0.00 H new ATOM 0 HA ASP A 11 5.239 1.014 6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.162 0.403 8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.314 2.029 7.951 1.00 0.00 H new ATOM 127 N VAL A 12 4.383 -1.328 6.284 1.00 0.00 N ATOM 128 CA VAL A 12 3.981 -2.724 6.338 1.00 0.00 C ATOM 129 C VAL A 12 5.229 -3.606 6.420 1.00 0.00 C ATOM 130 O VAL A 12 5.922 -3.802 5.423 1.00 0.00 O ATOM 131 CB VAL A 12 3.091 -3.058 5.140 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.527 -4.476 5.255 1.00 0.00 C ATOM 133 CG2 VAL A 12 1.966 -2.032 4.989 1.00 0.00 C ATOM 0 H VAL A 12 4.793 -1.036 5.397 1.00 0.00 H new ATOM 0 HA VAL A 12 3.387 -2.917 7.231 1.00 0.00 H new ATOM 0 HB VAL A 12 3.708 -3.014 4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.898 -4.688 4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.348 -5.192 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.933 -4.559 6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.348 -2.293 4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.352 -2.030 5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.395 -1.041 4.840 1.00 0.00 H new ATOM 143 N ALA A 13 5.477 -4.114 7.619 1.00 0.00 N ATOM 144 CA ALA A 13 6.629 -4.970 7.844 1.00 0.00 C ATOM 145 C ALA A 13 6.203 -6.434 7.714 1.00 0.00 C ATOM 146 O ALA A 13 5.528 -6.969 8.592 1.00 0.00 O ATOM 147 CB ALA A 13 7.236 -4.660 9.214 1.00 0.00 C ATOM 0 H ALA A 13 4.900 -3.949 8.444 1.00 0.00 H new ATOM 0 HA ALA A 13 7.399 -4.782 7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.100 -5.302 9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.548 -3.616 9.246 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.493 -4.841 9.991 1.00 0.00 H new ATOM 153 N GLY A 14 6.617 -7.041 6.611 1.00 0.00 N ATOM 154 CA GLY A 14 6.287 -8.433 6.354 1.00 0.00 C ATOM 155 C GLY A 14 7.328 -9.366 6.975 1.00 0.00 C ATOM 156 O GLY A 14 7.340 -9.569 8.188 1.00 0.00 O ATOM 0 H GLY A 14 7.178 -6.595 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.302 -8.658 6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.234 -8.606 5.279 1.00 0.00 H new ATOM 160 N PRO A 15 8.199 -9.924 6.093 1.00 0.00 N ATOM 161 CA PRO A 15 8.116 -9.631 4.672 1.00 0.00 C ATOM 162 C PRO A 15 6.939 -10.367 4.028 1.00 0.00 C ATOM 163 O PRO A 15 6.242 -11.132 4.693 1.00 0.00 O ATOM 164 CB PRO A 15 9.461 -10.052 4.104 1.00 0.00 C ATOM 165 CG PRO A 15 10.073 -10.989 5.132 1.00 0.00 C ATOM 166 CD PRO A 15 9.282 -10.846 6.422 1.00 0.00 C ATOM 0 HA PRO A 15 7.926 -8.577 4.471 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.340 -10.552 3.143 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.101 -9.186 3.934 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.041 -12.019 4.777 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.122 -10.742 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.895 -11.808 6.758 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.904 -10.455 7.227 1.00 0.00 H new ATOM 174 N ALA A 16 6.753 -10.109 2.742 1.00 0.00 N ATOM 175 CA ALA A 16 5.673 -10.738 2.001 1.00 0.00 C ATOM 176 C ALA A 16 5.537 -12.196 2.443 1.00 0.00 C ATOM 177 O ALA A 16 6.480 -12.776 2.980 1.00 0.00 O ATOM 178 CB ALA A 16 5.938 -10.606 0.500 1.00 0.00 C ATOM 0 H ALA A 16 7.332 -9.473 2.194 1.00 0.00 H new ATOM 0 HA ALA A 16 4.726 -10.241 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.128 -11.078 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.995 -9.551 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.880 -11.095 0.253 1.00 0.00 H new ATOM 184 N PRO A 17 4.325 -12.762 2.196 1.00 0.00 N ATOM 185 CA PRO A 17 3.263 -12.004 1.556 1.00 0.00 C ATOM 186 C PRO A 17 2.636 -11.007 2.533 1.00 0.00 C ATOM 187 O PRO A 17 2.896 -11.062 3.734 1.00 0.00 O ATOM 188 CB PRO A 17 2.277 -13.051 1.062 1.00 0.00 C ATOM 189 CG PRO A 17 2.586 -14.317 1.844 1.00 0.00 C ATOM 190 CD PRO A 17 3.936 -14.132 2.517 1.00 0.00 C ATOM 0 HA PRO A 17 3.622 -11.391 0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.249 -12.729 1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.388 -13.217 -0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.811 -14.505 2.588 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.606 -15.181 1.179 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.865 -14.282 3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.667 -14.849 2.143 1.00 0.00 H new ATOM 198 N TRP A 18 1.823 -10.118 1.980 1.00 0.00 N ATOM 199 CA TRP A 18 1.157 -9.110 2.787 1.00 0.00 C ATOM 200 C TRP A 18 -0.231 -9.638 3.154 1.00 0.00 C ATOM 201 O TRP A 18 -0.502 -9.926 4.318 1.00 0.00 O ATOM 202 CB TRP A 18 1.112 -7.766 2.058 1.00 0.00 C ATOM 203 CG TRP A 18 2.464 -7.314 1.501 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.850 -7.257 0.219 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.599 -6.856 2.266 1.00 0.00 C ATOM 206 NE1 TRP A 18 4.146 -6.797 0.102 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.616 -6.546 1.386 1.00 0.00 C ATOM 208 CE3 TRP A 18 3.761 -6.709 3.654 1.00 0.00 C ATOM 209 CZ2 TRP A 18 5.866 -6.069 1.797 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.016 -6.232 4.049 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.051 -5.914 3.177 1.00 0.00 C ATOM 0 H TRP A 18 1.611 -10.075 0.983 1.00 0.00 H new ATOM 0 HA TRP A 18 1.712 -8.924 3.706 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.397 -7.833 1.238 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.740 -7.005 2.744 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.226 -7.536 -0.617 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.664 -6.665 -0.767 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.979 -6.945 4.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.646 -5.833 1.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.193 -6.102 5.106 1.00 0.00 H new ATOM 0 HH2 TRP A 18 6.992 -5.550 3.561 1.00 0.00 H new ATOM 222 N GLY A 19 -1.074 -9.750 2.137 1.00 0.00 N ATOM 223 CA GLY A 19 -2.428 -10.238 2.338 1.00 0.00 C ATOM 224 C GLY A 19 -3.457 -9.169 1.967 1.00 0.00 C ATOM 225 O GLY A 19 -4.486 -9.037 2.629 1.00 0.00 O ATOM 0 H GLY A 19 -0.845 -9.511 1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.590 -11.130 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.562 -10.531 3.379 1.00 0.00 H new ATOM 229 N PHE A 20 -3.144 -8.432 0.911 1.00 0.00 N ATOM 230 CA PHE A 20 -4.029 -7.378 0.445 1.00 0.00 C ATOM 231 C PHE A 20 -4.078 -7.340 -1.084 1.00 0.00 C ATOM 232 O PHE A 20 -3.112 -7.711 -1.749 1.00 0.00 O ATOM 233 CB PHE A 20 -3.459 -6.055 0.959 1.00 0.00 C ATOM 234 CG PHE A 20 -2.230 -5.566 0.189 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.385 -4.910 -0.993 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.984 -5.787 0.685 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.246 -4.456 -1.707 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.156 -5.333 -0.029 1.00 0.00 C ATOM 239 CZ PHE A 20 0.001 -4.677 -1.211 1.00 0.00 C ATOM 0 H PHE A 20 -2.290 -8.544 0.365 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.041 -7.553 0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.235 -5.292 0.906 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.195 -6.169 2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.375 -4.735 -1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.861 -6.308 1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.369 -3.935 -2.645 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.146 -5.508 0.366 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.868 -4.332 -1.755 1.00 0.00 H new ATOM 249 N ARG A 21 -5.212 -6.886 -1.597 1.00 0.00 N ATOM 250 CA ARG A 21 -5.399 -6.794 -3.035 1.00 0.00 C ATOM 251 C ARG A 21 -5.569 -5.333 -3.455 1.00 0.00 C ATOM 252 O ARG A 21 -5.770 -4.460 -2.612 1.00 0.00 O ATOM 253 CB ARG A 21 -6.625 -7.592 -3.483 1.00 0.00 C ATOM 254 CG ARG A 21 -6.371 -9.096 -3.371 1.00 0.00 C ATOM 255 CD ARG A 21 -7.575 -9.895 -3.875 1.00 0.00 C ATOM 256 NE ARG A 21 -7.308 -11.345 -3.752 1.00 0.00 N ATOM 257 CZ ARG A 21 -6.542 -12.043 -4.601 1.00 0.00 C ATOM 258 NH1 ARG A 21 -5.962 -11.428 -5.640 1.00 0.00 N ATOM 259 NH2 ARG A 21 -6.355 -13.356 -4.410 1.00 0.00 N ATOM 0 H ARG A 21 -6.011 -6.578 -1.042 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.513 -7.212 -3.512 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.485 -7.318 -2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.873 -7.337 -4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.486 -9.363 -3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.165 -9.357 -2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.463 -9.631 -3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.780 -9.642 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.734 -11.845 -2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.104 -10.428 -5.785 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.379 -11.959 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.796 -13.824 -3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.772 -13.887 -5.056 1.00 0.00 H new ATOM 273 N ILE A 22 -5.480 -5.111 -4.758 1.00 0.00 N ATOM 274 CA ILE A 22 -5.621 -3.771 -5.301 1.00 0.00 C ATOM 275 C ILE A 22 -6.547 -3.813 -6.519 1.00 0.00 C ATOM 276 O ILE A 22 -6.950 -4.888 -6.960 1.00 0.00 O ATOM 277 CB ILE A 22 -4.248 -3.164 -5.593 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.449 -4.050 -6.551 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.484 -2.887 -4.297 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.348 -3.250 -7.249 1.00 0.00 C ATOM 0 H ILE A 22 -5.312 -5.837 -5.454 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.086 -3.111 -4.569 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.397 -2.205 -6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.007 -4.880 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.118 -4.482 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.511 -2.456 -4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.051 -2.188 -3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.344 -3.820 -3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.796 -3.904 -7.924 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.795 -2.435 -7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.667 -2.840 -6.503 1.00 0.00 H new ATOM 292 N SER A 23 -6.856 -2.629 -7.028 1.00 0.00 N ATOM 293 CA SER A 23 -7.727 -2.518 -8.186 1.00 0.00 C ATOM 294 C SER A 23 -7.301 -1.327 -9.048 1.00 0.00 C ATOM 295 O SER A 23 -6.349 -0.623 -8.713 1.00 0.00 O ATOM 296 CB SER A 23 -9.190 -2.370 -7.763 1.00 0.00 C ATOM 297 OG SER A 23 -10.057 -3.185 -8.548 1.00 0.00 O ATOM 0 H SER A 23 -6.519 -1.739 -6.660 1.00 0.00 H new ATOM 0 HA SER A 23 -7.637 -3.433 -8.771 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.293 -2.639 -6.712 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.491 -1.326 -7.856 1.00 0.00 H new ATOM 0 HG SER A 23 -10.982 -3.064 -8.246 1.00 0.00 H new ATOM 303 N GLY A 24 -8.026 -1.139 -10.141 1.00 0.00 N ATOM 304 CA GLY A 24 -7.735 -0.046 -11.053 1.00 0.00 C ATOM 305 C GLY A 24 -6.294 -0.127 -11.563 1.00 0.00 C ATOM 306 O GLY A 24 -5.848 -1.183 -12.008 1.00 0.00 O ATOM 0 H GLY A 24 -8.814 -1.725 -10.415 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.425 -0.077 -11.896 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.893 0.906 -10.547 1.00 0.00 H new ATOM 310 N GLY A 25 -5.607 1.003 -11.481 1.00 0.00 N ATOM 311 CA GLY A 25 -4.227 1.074 -11.929 1.00 0.00 C ATOM 312 C GLY A 25 -4.120 1.819 -13.261 1.00 0.00 C ATOM 313 O GLY A 25 -5.132 2.099 -13.903 1.00 0.00 O ATOM 0 H GLY A 25 -5.981 1.877 -11.111 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.622 1.579 -11.176 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.824 0.067 -12.038 1.00 0.00 H new ATOM 317 N ARG A 26 -2.886 2.118 -13.638 1.00 0.00 N ATOM 318 CA ARG A 26 -2.634 2.824 -14.882 1.00 0.00 C ATOM 319 C ARG A 26 -3.291 2.089 -16.052 1.00 0.00 C ATOM 320 O ARG A 26 -3.822 2.719 -16.966 1.00 0.00 O ATOM 321 CB ARG A 26 -1.133 2.953 -15.148 1.00 0.00 C ATOM 322 CG ARG A 26 -0.870 3.527 -16.542 1.00 0.00 C ATOM 323 CD ARG A 26 -0.107 4.850 -16.456 1.00 0.00 C ATOM 324 NE ARG A 26 -0.513 5.741 -17.566 1.00 0.00 N ATOM 325 CZ ARG A 26 -1.713 6.332 -17.655 1.00 0.00 C ATOM 326 NH1 ARG A 26 -2.632 6.129 -16.701 1.00 0.00 N ATOM 327 NH2 ARG A 26 -1.993 7.124 -18.698 1.00 0.00 N ATOM 0 H ARG A 26 -2.049 1.884 -13.103 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.062 3.822 -14.789 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.681 3.597 -14.394 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.659 1.976 -15.058 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.298 2.811 -17.132 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.817 3.682 -17.060 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.306 5.333 -15.499 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.966 4.664 -16.502 1.00 0.00 H new ATOM 0 HE ARG A 26 0.163 5.916 -18.310 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.418 5.525 -15.907 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.545 6.579 -16.769 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.293 7.277 -19.424 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.906 7.574 -18.766 1.00 0.00 H new ATOM 341 N ASP A 27 -3.233 0.767 -15.987 1.00 0.00 N ATOM 342 CA ASP A 27 -3.816 -0.060 -17.029 1.00 0.00 C ATOM 343 C ASP A 27 -5.305 0.267 -17.161 1.00 0.00 C ATOM 344 O ASP A 27 -5.812 0.430 -18.270 1.00 0.00 O ATOM 345 CB ASP A 27 -3.686 -1.546 -16.691 1.00 0.00 C ATOM 346 CG ASP A 27 -3.806 -2.495 -17.885 1.00 0.00 C ATOM 347 OD1 ASP A 27 -3.186 -2.181 -18.924 1.00 0.00 O ATOM 348 OD2 ASP A 27 -4.515 -3.513 -17.732 1.00 0.00 O ATOM 0 H ASP A 27 -2.791 0.248 -15.228 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.285 0.146 -17.959 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.721 -1.711 -16.211 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.453 -1.805 -15.962 1.00 0.00 H new ATOM 353 N PHE A 28 -5.963 0.352 -16.014 1.00 0.00 N ATOM 354 CA PHE A 28 -7.383 0.656 -15.987 1.00 0.00 C ATOM 355 C PHE A 28 -7.619 2.164 -15.886 1.00 0.00 C ATOM 356 O PHE A 28 -8.737 2.605 -15.624 1.00 0.00 O ATOM 357 CB PHE A 28 -7.963 -0.024 -14.745 1.00 0.00 C ATOM 358 CG PHE A 28 -8.015 -1.550 -14.838 1.00 0.00 C ATOM 359 CD1 PHE A 28 -6.933 -2.291 -14.478 1.00 0.00 C ATOM 360 CD2 PHE A 28 -9.144 -2.166 -15.281 1.00 0.00 C ATOM 361 CE1 PHE A 28 -6.981 -3.707 -14.564 1.00 0.00 C ATOM 362 CE2 PHE A 28 -9.192 -3.583 -15.367 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.110 -4.323 -15.007 1.00 0.00 C ATOM 0 H PHE A 28 -5.538 0.216 -15.097 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.857 0.302 -16.903 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.366 0.257 -13.877 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.971 0.354 -14.574 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.037 -1.802 -14.126 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.003 -1.578 -15.567 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.122 -4.295 -14.278 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.088 -4.073 -15.718 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.147 -5.400 -15.073 1.00 0.00 H new ATOM 373 N HIS A 29 -6.548 2.914 -16.098 1.00 0.00 N ATOM 374 CA HIS A 29 -6.624 4.364 -16.033 1.00 0.00 C ATOM 375 C HIS A 29 -7.255 4.786 -14.705 1.00 0.00 C ATOM 376 O HIS A 29 -7.912 5.823 -14.627 1.00 0.00 O ATOM 377 CB HIS A 29 -7.369 4.923 -17.247 1.00 0.00 C ATOM 378 CG HIS A 29 -6.693 4.637 -18.567 1.00 0.00 C ATOM 379 ND1 HIS A 29 -6.667 5.548 -19.609 1.00 0.00 N ATOM 380 CD2 HIS A 29 -6.020 3.534 -19.004 1.00 0.00 C ATOM 381 CE1 HIS A 29 -6.006 5.007 -20.621 1.00 0.00 C ATOM 382 NE2 HIS A 29 -5.606 3.758 -20.244 1.00 0.00 N ATOM 0 H HIS A 29 -5.622 2.545 -16.315 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.620 4.786 -16.069 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.375 4.504 -17.267 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.475 6.002 -17.131 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.853 2.631 -18.436 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.817 5.473 -21.577 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.076 3.105 -20.821 1.00 0.00 H new ATOM 390 N THR A 30 -7.032 3.961 -13.692 1.00 0.00 N ATOM 391 CA THR A 30 -7.570 4.236 -12.371 1.00 0.00 C ATOM 392 C THR A 30 -6.467 4.143 -11.316 1.00 0.00 C ATOM 393 O THR A 30 -5.429 3.525 -11.550 1.00 0.00 O ATOM 394 CB THR A 30 -8.731 3.270 -12.123 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.312 2.057 -12.743 1.00 0.00 O ATOM 396 CG2 THR A 30 -9.995 3.663 -12.890 1.00 0.00 C ATOM 0 H THR A 30 -6.486 3.102 -13.760 1.00 0.00 H new ATOM 0 HA THR A 30 -7.955 5.254 -12.305 1.00 0.00 H new ATOM 0 HB THR A 30 -8.951 3.234 -11.056 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.095 1.498 -12.929 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.787 2.945 -12.678 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.315 4.658 -12.579 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.785 3.667 -13.960 1.00 0.00 H new ATOM 404 N PRO A 31 -6.734 4.783 -10.146 1.00 0.00 N ATOM 405 CA PRO A 31 -5.776 4.778 -9.054 1.00 0.00 C ATOM 406 C PRO A 31 -5.756 3.422 -8.347 1.00 0.00 C ATOM 407 O PRO A 31 -6.793 2.774 -8.209 1.00 0.00 O ATOM 408 CB PRO A 31 -6.211 5.916 -8.144 1.00 0.00 C ATOM 409 CG PRO A 31 -7.656 6.214 -8.512 1.00 0.00 C ATOM 410 CD PRO A 31 -7.952 5.525 -9.833 1.00 0.00 C ATOM 0 HA PRO A 31 -4.751 4.926 -9.394 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.126 5.632 -7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.582 6.794 -8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.330 5.854 -7.734 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.814 7.289 -8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.811 4.859 -9.748 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.186 6.249 -10.613 1.00 0.00 H new ATOM 418 N ILE A 32 -4.565 3.031 -7.918 1.00 0.00 N ATOM 419 CA ILE A 32 -4.397 1.763 -7.229 1.00 0.00 C ATOM 420 C ILE A 32 -5.126 1.817 -5.885 1.00 0.00 C ATOM 421 O ILE A 32 -4.632 2.414 -4.931 1.00 0.00 O ATOM 422 CB ILE A 32 -2.913 1.411 -7.110 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.246 1.373 -8.487 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.720 0.101 -6.343 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.336 -0.026 -9.101 1.00 0.00 C ATOM 0 H ILE A 32 -3.707 3.570 -8.034 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.848 0.954 -7.804 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.421 2.196 -6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.725 2.096 -9.147 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.201 1.668 -8.397 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.656 -0.126 -6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.137 0.201 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.229 -0.707 -6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.855 -0.026 -10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.835 -0.742 -8.450 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.383 -0.308 -9.212 1.00 0.00 H new ATOM 437 N ILE A 33 -6.290 1.184 -5.854 1.00 0.00 N ATOM 438 CA ILE A 33 -7.092 1.153 -4.643 1.00 0.00 C ATOM 439 C ILE A 33 -7.117 -0.273 -4.090 1.00 0.00 C ATOM 440 O ILE A 33 -7.104 -1.239 -4.852 1.00 0.00 O ATOM 441 CB ILE A 33 -8.482 1.735 -4.906 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.401 3.232 -5.211 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.430 1.438 -3.742 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.303 3.601 -6.390 1.00 0.00 C ATOM 0 H ILE A 33 -6.696 0.689 -6.648 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.647 1.786 -3.875 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.894 1.248 -5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.696 3.803 -4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.370 3.505 -5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.411 1.863 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.522 0.359 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.033 1.880 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.227 4.671 -6.586 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.990 3.047 -7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.336 3.349 -6.151 1.00 0.00 H new ATOM 456 N VAL A 34 -7.152 -0.361 -2.768 1.00 0.00 N ATOM 457 CA VAL A 34 -7.178 -1.653 -2.104 1.00 0.00 C ATOM 458 C VAL A 34 -8.600 -2.218 -2.154 1.00 0.00 C ATOM 459 O VAL A 34 -9.565 -1.502 -1.895 1.00 0.00 O ATOM 460 CB VAL A 34 -6.638 -1.521 -0.679 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.720 -2.855 0.065 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.205 -0.983 -0.684 1.00 0.00 C ATOM 0 H VAL A 34 -7.163 0.442 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.528 -2.360 -2.619 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.264 -0.803 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.330 -2.733 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.759 -3.181 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.130 -3.603 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.845 -0.899 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.562 -1.666 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.187 -0.001 -1.157 1.00 0.00 H new ATOM 472 N THR A 35 -8.682 -3.497 -2.489 1.00 0.00 N ATOM 473 CA THR A 35 -9.969 -4.166 -2.576 1.00 0.00 C ATOM 474 C THR A 35 -10.259 -4.936 -1.286 1.00 0.00 C ATOM 475 O THR A 35 -11.328 -4.788 -0.698 1.00 0.00 O ATOM 476 CB THR A 35 -9.958 -5.052 -3.823 1.00 0.00 C ATOM 477 OG1 THR A 35 -8.630 -5.567 -3.871 1.00 0.00 O ATOM 478 CG2 THR A 35 -10.091 -4.246 -5.117 1.00 0.00 C ATOM 0 H THR A 35 -7.879 -4.088 -2.703 1.00 0.00 H new ATOM 0 HA THR A 35 -10.782 -3.447 -2.677 1.00 0.00 H new ATOM 0 HB THR A 35 -10.771 -5.775 -3.761 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.376 -5.730 -4.803 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.077 -4.924 -5.971 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.031 -3.694 -5.107 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.260 -3.546 -5.197 1.00 0.00 H new ATOM 486 N LYS A 36 -9.286 -5.741 -0.884 1.00 0.00 N ATOM 487 CA LYS A 36 -9.423 -6.534 0.325 1.00 0.00 C ATOM 488 C LYS A 36 -8.213 -6.289 1.230 1.00 0.00 C ATOM 489 O LYS A 36 -7.172 -5.825 0.768 1.00 0.00 O ATOM 490 CB LYS A 36 -9.642 -8.008 -0.023 1.00 0.00 C ATOM 491 CG LYS A 36 -10.927 -8.537 0.618 1.00 0.00 C ATOM 492 CD LYS A 36 -10.629 -9.242 1.942 1.00 0.00 C ATOM 493 CE LYS A 36 -11.548 -10.449 2.140 1.00 0.00 C ATOM 494 NZ LYS A 36 -12.261 -10.351 3.434 1.00 0.00 N ATOM 0 H LYS A 36 -8.400 -5.861 -1.375 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.307 -6.227 0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.696 -8.126 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.791 -8.597 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.619 -7.712 0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.419 -9.230 -0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.588 -9.566 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.759 -8.542 2.768 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.269 -10.502 1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.963 -11.368 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.880 -11.178 3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.569 -10.322 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.835 -9.484 3.449 1.00 0.00 H new ATOM 508 N VAL A 37 -8.391 -6.613 2.502 1.00 0.00 N ATOM 509 CA VAL A 37 -7.328 -6.434 3.476 1.00 0.00 C ATOM 510 C VAL A 37 -7.365 -7.585 4.483 1.00 0.00 C ATOM 511 O VAL A 37 -8.239 -7.631 5.347 1.00 0.00 O ATOM 512 CB VAL A 37 -7.448 -5.059 4.135 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.448 -4.913 5.284 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.269 -3.940 3.107 1.00 0.00 C ATOM 0 H VAL A 37 -9.256 -6.999 2.881 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.354 -6.461 2.987 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.452 -4.974 4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.554 -3.927 5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.642 -5.679 6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.434 -5.030 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.359 -2.973 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.284 -4.022 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.036 -4.026 2.338 1.00 0.00 H new ATOM 524 N THR A 38 -6.406 -8.488 4.338 1.00 0.00 N ATOM 525 CA THR A 38 -6.318 -9.636 5.224 1.00 0.00 C ATOM 526 C THR A 38 -6.405 -9.190 6.685 1.00 0.00 C ATOM 527 O THR A 38 -5.651 -8.320 7.118 1.00 0.00 O ATOM 528 CB THR A 38 -5.028 -10.390 4.895 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.311 -11.038 3.657 1.00 0.00 O ATOM 530 CG2 THR A 38 -4.759 -11.542 5.865 1.00 0.00 C ATOM 0 H THR A 38 -5.683 -8.448 3.620 1.00 0.00 H new ATOM 0 HA THR A 38 -7.156 -10.316 5.074 1.00 0.00 H new ATOM 0 HB THR A 38 -4.188 -9.696 4.914 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.430 -10.365 2.955 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.832 -12.043 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.670 -11.151 6.878 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.583 -12.254 5.822 1.00 0.00 H new ATOM 606 N ALA A 43 -0.810 -6.550 6.275 1.00 0.00 N ATOM 607 CA ALA A 43 -1.357 -5.263 5.881 1.00 0.00 C ATOM 608 C ALA A 43 -2.073 -4.630 7.076 1.00 0.00 C ATOM 609 O ALA A 43 -1.578 -3.670 7.664 1.00 0.00 O ATOM 610 CB ALA A 43 -2.284 -5.449 4.678 1.00 0.00 C ATOM 0 HA ALA A 43 -0.560 -4.584 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.695 -4.484 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.721 -5.874 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.098 -6.122 4.947 1.00 0.00 H new ATOM 616 N GLU A 44 -3.227 -5.195 7.400 1.00 0.00 N ATOM 617 CA GLU A 44 -4.016 -4.698 8.515 1.00 0.00 C ATOM 618 C GLU A 44 -3.112 -4.390 9.710 1.00 0.00 C ATOM 619 O GLU A 44 -3.262 -3.354 10.356 1.00 0.00 O ATOM 620 CB GLU A 44 -5.111 -5.695 8.899 1.00 0.00 C ATOM 621 CG GLU A 44 -5.954 -5.164 10.060 1.00 0.00 C ATOM 622 CD GLU A 44 -5.645 -5.921 11.353 1.00 0.00 C ATOM 623 OE1 GLU A 44 -4.587 -5.619 11.948 1.00 0.00 O ATOM 624 OE2 GLU A 44 -6.472 -6.783 11.718 1.00 0.00 O ATOM 0 H GLU A 44 -3.634 -5.992 6.910 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.504 -3.774 8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.751 -5.887 8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.659 -6.647 9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.757 -4.101 10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.013 -5.263 9.820 1.00 0.00 H new ATOM 631 N ALA A 45 -2.193 -5.309 9.968 1.00 0.00 N ATOM 632 CA ALA A 45 -1.264 -5.149 11.074 1.00 0.00 C ATOM 633 C ALA A 45 -0.749 -3.708 11.098 1.00 0.00 C ATOM 634 O ALA A 45 -0.794 -3.046 12.133 1.00 0.00 O ATOM 635 CB ALA A 45 -0.132 -6.170 10.943 1.00 0.00 C ATOM 0 H ALA A 45 -2.072 -6.167 9.430 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.764 -5.337 12.024 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.564 -6.050 11.773 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.547 -7.178 10.961 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.394 -6.011 10.002 1.00 0.00 H new ATOM 641 N ALA A 46 -0.273 -3.265 9.943 1.00 0.00 N ATOM 642 CA ALA A 46 0.249 -1.915 9.818 1.00 0.00 C ATOM 643 C ALA A 46 -0.899 -0.913 9.956 1.00 0.00 C ATOM 644 O ALA A 46 -1.216 -0.475 11.061 1.00 0.00 O ATOM 645 CB ALA A 46 0.988 -1.774 8.486 1.00 0.00 C ATOM 0 H ALA A 46 -0.238 -3.817 9.086 1.00 0.00 H new ATOM 0 HA ALA A 46 0.966 -1.707 10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.379 -0.761 8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.812 -2.486 8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.300 -1.974 7.665 1.00 0.00 H new ATOM 651 N ASP A 47 -1.491 -0.580 8.819 1.00 0.00 N ATOM 652 CA ASP A 47 -2.598 0.362 8.799 1.00 0.00 C ATOM 653 C ASP A 47 -3.140 0.475 7.372 1.00 0.00 C ATOM 654 O ASP A 47 -3.508 1.561 6.929 1.00 0.00 O ATOM 655 CB ASP A 47 -2.144 1.754 9.244 1.00 0.00 C ATOM 656 CG ASP A 47 -3.151 2.515 10.108 1.00 0.00 C ATOM 657 OD1 ASP A 47 -4.047 3.149 9.511 1.00 0.00 O ATOM 658 OD2 ASP A 47 -3.001 2.447 11.348 1.00 0.00 O ATOM 0 H ASP A 47 -1.225 -0.945 7.904 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.365 -0.003 9.482 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.212 1.655 9.800 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.925 2.349 8.358 1.00 0.00 H new ATOM 663 N LEU A 48 -3.171 -0.663 6.694 1.00 0.00 N ATOM 664 CA LEU A 48 -3.662 -0.705 5.327 1.00 0.00 C ATOM 665 C LEU A 48 -5.135 -1.118 5.331 1.00 0.00 C ATOM 666 O LEU A 48 -5.498 -2.132 5.925 1.00 0.00 O ATOM 667 CB LEU A 48 -2.774 -1.606 4.466 1.00 0.00 C ATOM 668 CG LEU A 48 -3.119 -1.663 2.977 1.00 0.00 C ATOM 669 CD1 LEU A 48 -3.007 -0.279 2.335 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.259 -2.701 2.254 1.00 0.00 C ATOM 0 H LEU A 48 -2.864 -1.562 7.065 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.609 0.285 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.742 -1.269 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.819 -2.618 4.868 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.157 -1.981 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.257 -0.348 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.696 0.407 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.987 0.091 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.525 -2.721 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.206 -2.438 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.432 -3.685 2.690 1.00 0.00 H new ATOM 682 N ARG A 49 -5.945 -0.310 4.661 1.00 0.00 N ATOM 683 CA ARG A 49 -7.370 -0.579 4.580 1.00 0.00 C ATOM 684 C ARG A 49 -7.823 -0.608 3.119 1.00 0.00 C ATOM 685 O ARG A 49 -7.162 -0.042 2.250 1.00 0.00 O ATOM 686 CB ARG A 49 -8.174 0.482 5.335 1.00 0.00 C ATOM 687 CG ARG A 49 -8.661 -0.054 6.683 1.00 0.00 C ATOM 688 CD ARG A 49 -9.369 1.039 7.485 1.00 0.00 C ATOM 689 NE ARG A 49 -8.905 1.018 8.890 1.00 0.00 N ATOM 690 CZ ARG A 49 -7.656 1.317 9.272 1.00 0.00 C ATOM 691 NH1 ARG A 49 -6.739 1.662 8.358 1.00 0.00 N ATOM 692 NH2 ARG A 49 -7.323 1.271 10.570 1.00 0.00 N ATOM 0 H ARG A 49 -5.641 0.531 4.170 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.551 -1.551 5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.557 1.367 5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.028 0.792 4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.342 -0.890 6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.815 -0.438 7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.168 2.014 7.042 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.448 0.888 7.448 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.577 0.760 9.612 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.991 1.697 7.370 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.788 1.889 8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.020 1.008 11.266 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.372 1.499 10.861 1.00 0.00 H new ATOM 706 N PRO A 50 -8.976 -1.291 2.888 1.00 0.00 N ATOM 707 CA PRO A 50 -9.525 -1.401 1.547 1.00 0.00 C ATOM 708 C PRO A 50 -10.175 -0.086 1.111 1.00 0.00 C ATOM 709 O PRO A 50 -11.054 0.433 1.797 1.00 0.00 O ATOM 710 CB PRO A 50 -10.511 -2.556 1.619 1.00 0.00 C ATOM 711 CG PRO A 50 -10.821 -2.747 3.095 1.00 0.00 C ATOM 712 CD PRO A 50 -9.785 -1.973 3.894 1.00 0.00 C ATOM 0 HA PRO A 50 -8.761 -1.594 0.794 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.417 -2.332 1.055 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.084 -3.462 1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.825 -2.389 3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.793 -3.805 3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.258 -1.262 4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.177 -2.640 4.506 1.00 0.00 H new ATOM 720 N GLY A 51 -9.718 0.414 -0.027 1.00 0.00 N ATOM 721 CA GLY A 51 -10.245 1.657 -0.563 1.00 0.00 C ATOM 722 C GLY A 51 -9.154 2.728 -0.635 1.00 0.00 C ATOM 723 O GLY A 51 -9.209 3.620 -1.480 1.00 0.00 O ATOM 0 H GLY A 51 -8.988 -0.019 -0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.656 1.483 -1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.065 2.009 0.063 1.00 0.00 H new ATOM 727 N ASP A 52 -8.189 2.605 0.264 1.00 0.00 N ATOM 728 CA ASP A 52 -7.087 3.551 0.314 1.00 0.00 C ATOM 729 C ASP A 52 -6.435 3.641 -1.067 1.00 0.00 C ATOM 730 O ASP A 52 -6.089 2.622 -1.662 1.00 0.00 O ATOM 731 CB ASP A 52 -6.019 3.102 1.313 1.00 0.00 C ATOM 732 CG ASP A 52 -6.414 3.234 2.785 1.00 0.00 C ATOM 733 OD1 ASP A 52 -6.219 4.344 3.327 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.901 2.223 3.335 1.00 0.00 O ATOM 0 H ASP A 52 -8.147 1.864 0.964 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.486 4.517 0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.770 2.060 1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.114 3.685 1.141 1.00 0.00 H new ATOM 739 N ILE A 53 -6.286 4.871 -1.537 1.00 0.00 N ATOM 740 CA ILE A 53 -5.682 5.107 -2.837 1.00 0.00 C ATOM 741 C ILE A 53 -4.160 5.161 -2.685 1.00 0.00 C ATOM 742 O ILE A 53 -3.627 6.078 -2.063 1.00 0.00 O ATOM 743 CB ILE A 53 -6.279 6.357 -3.487 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.734 6.121 -3.895 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.422 6.826 -4.664 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.455 7.447 -4.148 1.00 0.00 C ATOM 0 H ILE A 53 -6.573 5.715 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.907 4.284 -3.516 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.278 7.159 -2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.768 5.507 -4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.250 5.566 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.869 7.716 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.418 7.062 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.368 6.035 -5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.488 7.250 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.440 8.048 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.951 7.988 -4.949 1.00 0.00 H new ATOM 758 N ILE A 54 -3.504 4.165 -3.264 1.00 0.00 N ATOM 759 CA ILE A 54 -2.055 4.087 -3.200 1.00 0.00 C ATOM 760 C ILE A 54 -1.450 5.199 -4.060 1.00 0.00 C ATOM 761 O ILE A 54 -1.557 5.169 -5.285 1.00 0.00 O ATOM 762 CB ILE A 54 -1.577 2.685 -3.583 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.785 1.701 -2.430 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.122 2.713 -4.058 1.00 0.00 C ATOM 765 CD1 ILE A 54 -1.612 0.257 -2.904 1.00 0.00 C ATOM 0 H ILE A 54 -3.950 3.406 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.709 4.249 -2.179 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.182 2.334 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.073 1.914 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.782 1.833 -2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.193 1.704 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.036 3.362 -4.930 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.514 3.093 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.765 -0.422 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.342 0.040 -3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.606 0.122 -3.301 1.00 0.00 H new ATOM 777 N VAL A 55 -0.829 6.154 -3.384 1.00 0.00 N ATOM 778 CA VAL A 55 -0.207 7.274 -4.071 1.00 0.00 C ATOM 779 C VAL A 55 1.145 6.834 -4.634 1.00 0.00 C ATOM 780 O VAL A 55 1.443 7.073 -5.803 1.00 0.00 O ATOM 781 CB VAL A 55 -0.100 8.473 -3.127 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.169 9.790 -3.903 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.181 8.417 -2.045 1.00 0.00 C ATOM 0 H VAL A 55 -0.743 6.176 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.821 7.594 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 55 0.871 8.425 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.091 10.626 -3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.652 9.834 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.118 9.849 -4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.083 9.281 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.165 8.428 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.066 7.503 -1.463 1.00 0.00 H new ATOM 793 N ALA A 56 1.929 6.198 -3.776 1.00 0.00 N ATOM 794 CA ALA A 56 3.244 5.723 -4.173 1.00 0.00 C ATOM 795 C ALA A 56 3.467 4.320 -3.603 1.00 0.00 C ATOM 796 O ALA A 56 2.661 3.831 -2.814 1.00 0.00 O ATOM 797 CB ALA A 56 4.309 6.717 -3.708 1.00 0.00 C ATOM 0 H ALA A 56 1.679 6.000 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 56 3.316 5.654 -5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.295 6.360 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.122 7.690 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.270 6.811 -2.623 1.00 0.00 H new ATOM 803 N ILE A 57 4.566 3.713 -4.026 1.00 0.00 N ATOM 804 CA ILE A 57 4.906 2.377 -3.568 1.00 0.00 C ATOM 805 C ILE A 57 6.371 2.351 -3.126 1.00 0.00 C ATOM 806 O ILE A 57 7.273 2.291 -3.959 1.00 0.00 O ATOM 807 CB ILE A 57 4.570 1.340 -4.642 1.00 0.00 C ATOM 808 CG1 ILE A 57 3.056 1.213 -4.826 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.224 -0.007 -4.328 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.720 0.211 -5.932 1.00 0.00 C ATOM 0 H ILE A 57 5.232 4.122 -4.681 1.00 0.00 H new ATOM 0 HA ILE A 57 4.305 2.109 -2.699 1.00 0.00 H new ATOM 0 HB ILE A 57 4.982 1.684 -5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.598 0.894 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.633 2.187 -5.072 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.969 -0.726 -5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.306 0.115 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.863 -0.371 -3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.638 0.140 -6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.159 0.546 -6.872 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.123 -0.768 -5.671 1.00 0.00 H new ATOM 822 N ASN A 58 6.561 2.398 -1.815 1.00 0.00 N ATOM 823 CA ASN A 58 7.901 2.380 -1.253 1.00 0.00 C ATOM 824 C ASN A 58 8.584 3.720 -1.533 1.00 0.00 C ATOM 825 O ASN A 58 9.780 3.874 -1.289 1.00 0.00 O ATOM 826 CB ASN A 58 8.749 1.275 -1.884 1.00 0.00 C ATOM 827 CG ASN A 58 9.260 0.301 -0.821 1.00 0.00 C ATOM 828 OD1 ASN A 58 9.142 0.526 0.373 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.833 -0.791 -1.318 1.00 0.00 N ATOM 0 H ASN A 58 5.810 2.448 -1.127 1.00 0.00 H new ATOM 0 HA ASN A 58 7.815 2.199 -0.182 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.157 0.735 -2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.593 1.717 -2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.206 -1.502 -0.689 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.899 -0.918 -2.328 1.00 0.00 H new ATOM 836 N GLY A 59 7.796 4.655 -2.043 1.00 0.00 N ATOM 837 CA GLY A 59 8.311 5.977 -2.360 1.00 0.00 C ATOM 838 C GLY A 59 8.189 6.268 -3.857 1.00 0.00 C ATOM 839 O GLY A 59 8.389 7.401 -4.290 1.00 0.00 O ATOM 0 H GLY A 59 6.805 4.524 -2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.763 6.730 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.355 6.047 -2.056 1.00 0.00 H new ATOM 843 N GLN A 60 7.863 5.224 -4.605 1.00 0.00 N ATOM 844 CA GLN A 60 7.713 5.354 -6.045 1.00 0.00 C ATOM 845 C GLN A 60 6.252 5.634 -6.403 1.00 0.00 C ATOM 846 O GLN A 60 5.372 4.826 -6.112 1.00 0.00 O ATOM 847 CB GLN A 60 8.224 4.104 -6.764 1.00 0.00 C ATOM 848 CG GLN A 60 7.863 4.141 -8.250 1.00 0.00 C ATOM 849 CD GLN A 60 9.120 4.218 -9.119 1.00 0.00 C ATOM 850 OE1 GLN A 60 10.241 4.146 -8.641 1.00 0.00 O ATOM 851 NE2 GLN A 60 8.873 4.367 -10.417 1.00 0.00 N ATOM 0 H GLN A 60 7.699 4.285 -4.242 1.00 0.00 H new ATOM 0 HA GLN A 60 8.317 6.198 -6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.306 4.031 -6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.795 3.214 -6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.290 3.251 -8.511 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.224 5.001 -8.451 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.910 4.420 -10.750 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.646 4.428 -11.080 1.00 0.00 H new ATOM 860 N SER A 61 6.040 6.782 -7.030 1.00 0.00 N ATOM 861 CA SER A 61 4.701 7.179 -7.431 1.00 0.00 C ATOM 862 C SER A 61 3.939 5.971 -7.980 1.00 0.00 C ATOM 863 O SER A 61 4.525 5.104 -8.627 1.00 0.00 O ATOM 864 CB SER A 61 4.747 8.296 -8.476 1.00 0.00 C ATOM 865 OG SER A 61 4.643 9.587 -7.882 1.00 0.00 O ATOM 0 H SER A 61 6.773 7.450 -7.270 1.00 0.00 H new ATOM 0 HA SER A 61 4.181 7.561 -6.553 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.679 8.229 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.935 8.159 -9.190 1.00 0.00 H new ATOM 0 HG SER A 61 4.678 10.273 -8.581 1.00 0.00 H new ATOM 871 N ALA A 62 2.644 5.951 -7.701 1.00 0.00 N ATOM 872 CA ALA A 62 1.796 4.864 -8.158 1.00 0.00 C ATOM 873 C ALA A 62 0.612 5.439 -8.938 1.00 0.00 C ATOM 874 O ALA A 62 -0.339 4.723 -9.247 1.00 0.00 O ATOM 875 CB ALA A 62 1.352 4.023 -6.959 1.00 0.00 C ATOM 0 H ALA A 62 2.161 6.671 -7.164 1.00 0.00 H new ATOM 0 HA ALA A 62 2.346 4.206 -8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.716 3.207 -7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.229 3.613 -6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.795 4.649 -6.262 1.00 0.00 H new ATOM 881 N GLU A 63 0.709 6.727 -9.233 1.00 0.00 N ATOM 882 CA GLU A 63 -0.343 7.407 -9.970 1.00 0.00 C ATOM 883 C GLU A 63 -0.501 6.789 -11.361 1.00 0.00 C ATOM 884 O GLU A 63 -1.612 6.695 -11.880 1.00 0.00 O ATOM 885 CB GLU A 63 -0.063 8.908 -10.066 1.00 0.00 C ATOM 886 CG GLU A 63 -1.179 9.717 -9.401 1.00 0.00 C ATOM 887 CD GLU A 63 -1.560 10.929 -10.254 1.00 0.00 C ATOM 888 OE1 GLU A 63 -1.439 10.812 -11.492 1.00 0.00 O ATOM 889 OE2 GLU A 63 -1.964 11.944 -9.648 1.00 0.00 O ATOM 0 H GLU A 63 1.500 7.318 -8.975 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.280 7.279 -9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.890 9.135 -9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.028 9.199 -11.113 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.053 9.083 -9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.854 10.049 -8.415 1.00 0.00 H new ATOM 896 N ASN A 64 0.628 6.384 -11.925 1.00 0.00 N ATOM 897 CA ASN A 64 0.629 5.777 -13.245 1.00 0.00 C ATOM 898 C ASN A 64 1.274 4.392 -13.166 1.00 0.00 C ATOM 899 O ASN A 64 2.251 4.118 -13.861 1.00 0.00 O ATOM 900 CB ASN A 64 1.436 6.618 -14.237 1.00 0.00 C ATOM 901 CG ASN A 64 0.711 7.926 -14.564 1.00 0.00 C ATOM 902 OD1 ASN A 64 -0.291 7.953 -15.259 1.00 0.00 O ATOM 903 ND2 ASN A 64 1.272 9.004 -14.024 1.00 0.00 N ATOM 0 H ASN A 64 1.548 6.464 -11.492 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.404 5.709 -13.585 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.418 6.837 -13.819 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.599 6.050 -15.153 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.863 9.925 -14.182 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.111 8.910 -13.452 1.00 0.00 H new ATOM 910 N MET A 65 0.702 3.556 -12.312 1.00 0.00 N ATOM 911 CA MET A 65 1.209 2.207 -12.132 1.00 0.00 C ATOM 912 C MET A 65 0.202 1.171 -12.636 1.00 0.00 C ATOM 913 O MET A 65 -0.952 1.163 -12.209 1.00 0.00 O ATOM 914 CB MET A 65 1.495 1.962 -10.649 1.00 0.00 C ATOM 915 CG MET A 65 2.962 2.246 -10.320 1.00 0.00 C ATOM 916 SD MET A 65 3.307 1.791 -8.628 1.00 0.00 S ATOM 917 CE MET A 65 5.044 2.195 -8.547 1.00 0.00 C ATOM 0 H MET A 65 -0.108 3.787 -11.737 1.00 0.00 H new ATOM 0 HA MET A 65 2.128 2.104 -12.710 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.852 2.599 -10.041 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.255 0.930 -10.394 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.610 1.687 -10.995 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.180 3.303 -10.473 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.610 1.311 -8.252 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.385 2.534 -9.525 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.200 2.987 -7.814 1.00 0.00 H new ATOM 927 N LEU A 66 0.675 0.322 -13.537 1.00 0.00 N ATOM 928 CA LEU A 66 -0.170 -0.716 -14.103 1.00 0.00 C ATOM 929 C LEU A 66 -0.555 -1.710 -13.006 1.00 0.00 C ATOM 930 O LEU A 66 0.193 -1.903 -12.048 1.00 0.00 O ATOM 931 CB LEU A 66 0.513 -1.364 -15.309 1.00 0.00 C ATOM 932 CG LEU A 66 1.037 -0.405 -16.379 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.372 -0.893 -16.947 1.00 0.00 C ATOM 934 CD2 LEU A 66 -0.006 -0.185 -17.476 1.00 0.00 C ATOM 0 H LEU A 66 1.632 0.332 -13.889 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.097 -0.287 -14.483 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.347 -1.966 -14.949 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.194 -2.048 -15.778 1.00 0.00 H new ATOM 0 HG LEU A 66 1.221 0.562 -15.910 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.722 -0.193 -17.706 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.107 -0.957 -16.145 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.238 -1.877 -17.396 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.392 0.501 -18.224 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.244 -1.138 -17.948 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.910 0.240 -17.039 1.00 0.00 H new ATOM 946 N HIS A 67 -1.720 -2.315 -13.181 1.00 0.00 N ATOM 947 CA HIS A 67 -2.213 -3.284 -12.218 1.00 0.00 C ATOM 948 C HIS A 67 -1.149 -4.358 -11.980 1.00 0.00 C ATOM 949 O HIS A 67 -1.131 -4.997 -10.929 1.00 0.00 O ATOM 950 CB HIS A 67 -3.553 -3.868 -12.670 1.00 0.00 C ATOM 951 CG HIS A 67 -4.259 -4.679 -11.610 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.227 -4.144 -10.779 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.129 -5.989 -11.257 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.653 -5.099 -9.964 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.970 -6.241 -10.262 1.00 0.00 N ATOM 0 H HIS A 67 -2.338 -2.153 -13.976 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.402 -2.790 -11.265 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.205 -3.053 -12.984 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.387 -4.498 -13.544 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.557 -3.179 -10.791 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.456 -6.701 -11.710 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.408 -4.991 -9.199 1.00 0.00 H new ATOM 963 N ALA A 68 -0.288 -4.522 -12.973 1.00 0.00 N ATOM 964 CA ALA A 68 0.777 -5.507 -12.885 1.00 0.00 C ATOM 965 C ALA A 68 2.027 -4.849 -12.297 1.00 0.00 C ATOM 966 O ALA A 68 2.853 -5.519 -11.679 1.00 0.00 O ATOM 967 CB ALA A 68 1.031 -6.109 -14.268 1.00 0.00 C ATOM 0 H ALA A 68 -0.306 -3.990 -13.843 1.00 0.00 H new ATOM 0 HA ALA A 68 0.491 -6.323 -12.222 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.830 -6.848 -14.202 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.121 -6.589 -14.628 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.323 -5.320 -14.960 1.00 0.00 H new ATOM 973 N GLU A 69 2.126 -3.545 -12.509 1.00 0.00 N ATOM 974 CA GLU A 69 3.261 -2.790 -12.008 1.00 0.00 C ATOM 975 C GLU A 69 3.219 -2.719 -10.480 1.00 0.00 C ATOM 976 O GLU A 69 4.181 -3.092 -9.810 1.00 0.00 O ATOM 977 CB GLU A 69 3.301 -1.389 -12.621 1.00 0.00 C ATOM 978 CG GLU A 69 3.717 -1.446 -14.092 1.00 0.00 C ATOM 979 CD GLU A 69 5.231 -1.286 -14.241 1.00 0.00 C ATOM 980 OE1 GLU A 69 5.929 -2.309 -14.074 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.657 -0.144 -14.519 1.00 0.00 O ATOM 0 H GLU A 69 1.438 -2.992 -13.021 1.00 0.00 H new ATOM 0 HA GLU A 69 4.175 -3.306 -12.303 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.320 -0.922 -12.535 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.001 -0.765 -12.065 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.404 -2.396 -14.525 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.208 -0.659 -14.648 1.00 0.00 H new ATOM 988 N ALA A 70 2.093 -2.237 -9.973 1.00 0.00 N ATOM 989 CA ALA A 70 1.912 -2.112 -8.537 1.00 0.00 C ATOM 990 C ALA A 70 1.981 -3.500 -7.896 1.00 0.00 C ATOM 991 O ALA A 70 2.512 -3.654 -6.797 1.00 0.00 O ATOM 992 CB ALA A 70 0.588 -1.402 -8.248 1.00 0.00 C ATOM 0 H ALA A 70 1.297 -1.929 -10.532 1.00 0.00 H new ATOM 0 HA ALA A 70 2.708 -1.507 -8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.453 -1.309 -7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.601 -0.410 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.235 -1.981 -8.668 1.00 0.00 H new ATOM 998 N GLN A 71 1.438 -4.474 -8.610 1.00 0.00 N ATOM 999 CA GLN A 71 1.431 -5.844 -8.125 1.00 0.00 C ATOM 1000 C GLN A 71 2.861 -6.378 -8.025 1.00 0.00 C ATOM 1001 O GLN A 71 3.244 -6.949 -7.005 1.00 0.00 O ATOM 1002 CB GLN A 71 0.572 -6.738 -9.021 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.895 -6.703 -8.588 1.00 0.00 C ATOM 1004 CD GLN A 71 -1.062 -7.258 -7.172 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.137 -7.776 -6.567 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.290 -7.123 -6.680 1.00 0.00 N ATOM 0 H GLN A 71 0.999 -4.342 -9.521 1.00 0.00 H new ATOM 0 HA GLN A 71 0.990 -5.855 -7.128 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.657 -6.409 -10.057 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.942 -7.762 -8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.265 -5.678 -8.627 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.497 -7.286 -9.284 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.018 -6.679 -7.240 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.504 -7.463 -5.742 1.00 0.00 H new ATOM 1015 N SER A 72 3.611 -6.175 -9.097 1.00 0.00 N ATOM 1016 CA SER A 72 4.991 -6.629 -9.143 1.00 0.00 C ATOM 1017 C SER A 72 5.802 -5.949 -8.039 1.00 0.00 C ATOM 1018 O SER A 72 6.388 -6.621 -7.191 1.00 0.00 O ATOM 1019 CB SER A 72 5.617 -6.351 -10.510 1.00 0.00 C ATOM 1020 OG SER A 72 6.924 -6.908 -10.622 1.00 0.00 O ATOM 0 H SER A 72 3.290 -5.702 -9.942 1.00 0.00 H new ATOM 0 HA SER A 72 5.002 -7.707 -8.982 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.979 -6.764 -11.292 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.666 -5.275 -10.674 1.00 0.00 H new ATOM 0 HG SER A 72 7.289 -6.710 -11.510 1.00 0.00 H new ATOM 1026 N LYS A 73 5.811 -4.625 -8.084 1.00 0.00 N ATOM 1027 CA LYS A 73 6.541 -3.847 -7.098 1.00 0.00 C ATOM 1028 C LYS A 73 6.206 -4.364 -5.697 1.00 0.00 C ATOM 1029 O LYS A 73 7.099 -4.751 -4.945 1.00 0.00 O ATOM 1030 CB LYS A 73 6.266 -2.353 -7.284 1.00 0.00 C ATOM 1031 CG LYS A 73 7.400 -1.680 -8.060 1.00 0.00 C ATOM 1032 CD LYS A 73 6.877 -1.034 -9.345 1.00 0.00 C ATOM 1033 CE LYS A 73 7.632 0.260 -9.654 1.00 0.00 C ATOM 1034 NZ LYS A 73 8.848 -0.026 -10.449 1.00 0.00 N ATOM 0 H LYS A 73 5.324 -4.071 -8.788 1.00 0.00 H new ATOM 0 HA LYS A 73 7.615 -3.970 -7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.325 -2.216 -7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.154 -1.876 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.874 -0.923 -7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.165 -2.417 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.986 -1.730 -10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.813 -0.823 -9.243 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.984 0.944 -10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.907 0.758 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.349 0.863 -10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.472 -0.661 -9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.578 -0.481 -11.344 1.00 0.00 H new ATOM 1048 N ILE A 74 4.918 -4.352 -5.389 1.00 0.00 N ATOM 1049 CA ILE A 74 4.454 -4.815 -4.092 1.00 0.00 C ATOM 1050 C ILE A 74 4.998 -6.222 -3.833 1.00 0.00 C ATOM 1051 O ILE A 74 5.639 -6.465 -2.812 1.00 0.00 O ATOM 1052 CB ILE A 74 2.930 -4.719 -4.003 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.492 -3.310 -3.596 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.367 -5.787 -3.063 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.096 -2.992 -4.136 1.00 0.00 C ATOM 0 H ILE A 74 4.181 -4.029 -6.015 1.00 0.00 H new ATOM 0 HA ILE A 74 4.838 -4.173 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 74 2.518 -4.912 -4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.494 -3.225 -2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.207 -2.580 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.282 -5.696 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.633 -6.776 -3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.784 -5.650 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.809 -1.985 -3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.104 -3.055 -5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.379 -3.709 -3.737 1.00 0.00 H new ATOM 1067 N ARG A 75 4.721 -7.111 -4.776 1.00 0.00 N ATOM 1068 CA ARG A 75 5.174 -8.487 -4.662 1.00 0.00 C ATOM 1069 C ARG A 75 6.701 -8.537 -4.574 1.00 0.00 C ATOM 1070 O ARG A 75 7.269 -9.538 -4.139 1.00 0.00 O ATOM 1071 CB ARG A 75 4.712 -9.320 -5.859 1.00 0.00 C ATOM 1072 CG ARG A 75 4.734 -10.814 -5.529 1.00 0.00 C ATOM 1073 CD ARG A 75 3.794 -11.593 -6.451 1.00 0.00 C ATOM 1074 NE ARG A 75 3.201 -12.735 -5.721 1.00 0.00 N ATOM 1075 CZ ARG A 75 2.126 -12.642 -4.926 1.00 0.00 C ATOM 1076 NH1 ARG A 75 1.520 -11.459 -4.755 1.00 0.00 N ATOM 1077 NH2 ARG A 75 1.656 -13.731 -4.303 1.00 0.00 N ATOM 0 H ARG A 75 4.189 -6.905 -5.622 1.00 0.00 H new ATOM 0 HA ARG A 75 4.740 -8.905 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.704 -9.022 -6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.358 -9.123 -6.714 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.749 -11.198 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.439 -10.965 -4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.005 -10.937 -6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.341 -11.952 -7.322 1.00 0.00 H new ATOM 0 HE ARG A 75 3.638 -13.650 -5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.877 -10.630 -5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.702 -11.388 -4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.116 -14.632 -4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.838 -13.659 -3.698 1.00 0.00 H new ATOM 1091 N GLN A 76 7.322 -7.445 -4.993 1.00 0.00 N ATOM 1092 CA GLN A 76 8.772 -7.352 -4.967 1.00 0.00 C ATOM 1093 C GLN A 76 9.217 -6.273 -3.977 1.00 0.00 C ATOM 1094 O GLN A 76 10.308 -5.718 -4.107 1.00 0.00 O ATOM 1095 CB GLN A 76 9.329 -7.077 -6.365 1.00 0.00 C ATOM 1096 CG GLN A 76 8.734 -8.042 -7.392 1.00 0.00 C ATOM 1097 CD GLN A 76 9.814 -8.955 -7.977 1.00 0.00 C ATOM 1098 OE1 GLN A 76 10.662 -9.484 -7.277 1.00 0.00 O ATOM 1099 NE2 GLN A 76 9.737 -9.108 -9.296 1.00 0.00 N ATOM 0 H GLN A 76 6.848 -6.617 -5.353 1.00 0.00 H new ATOM 0 HA GLN A 76 9.172 -8.310 -4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.106 -6.050 -6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.414 -7.176 -6.354 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.958 -8.646 -6.922 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.257 -7.477 -8.193 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.001 -8.636 -9.822 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.413 -9.697 -9.781 1.00 0.00 H new ATOM 1108 N SER A 77 8.350 -6.007 -3.011 1.00 0.00 N ATOM 1109 CA SER A 77 8.640 -5.004 -2.001 1.00 0.00 C ATOM 1110 C SER A 77 9.092 -5.682 -0.706 1.00 0.00 C ATOM 1111 O SER A 77 8.379 -6.523 -0.159 1.00 0.00 O ATOM 1112 CB SER A 77 7.421 -4.118 -1.738 1.00 0.00 C ATOM 1113 OG SER A 77 7.741 -2.732 -1.820 1.00 0.00 O ATOM 0 H SER A 77 7.447 -6.469 -2.907 1.00 0.00 H new ATOM 0 HA SER A 77 9.444 -4.368 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.639 -4.353 -2.460 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.018 -4.339 -0.750 1.00 0.00 H new ATOM 0 HG SER A 77 7.098 -2.282 -2.407 1.00 0.00 H new ATOM 1119 N ALA A 78 10.274 -5.292 -0.252 1.00 0.00 N ATOM 1120 CA ALA A 78 10.829 -5.851 0.969 1.00 0.00 C ATOM 1121 C ALA A 78 10.156 -5.196 2.177 1.00 0.00 C ATOM 1122 O ALA A 78 9.335 -4.294 2.021 1.00 0.00 O ATOM 1123 CB ALA A 78 12.347 -5.661 0.973 1.00 0.00 C ATOM 0 H ALA A 78 10.863 -4.595 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 78 10.634 -6.922 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.764 -6.080 1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.780 -6.170 0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.581 -4.598 0.922 1.00 0.00 H new ATOM 1129 N SER A 79 10.530 -5.676 3.354 1.00 0.00 N ATOM 1130 CA SER A 79 9.973 -5.148 4.588 1.00 0.00 C ATOM 1131 C SER A 79 11.016 -4.291 5.309 1.00 0.00 C ATOM 1132 O SER A 79 12.195 -4.640 5.342 1.00 0.00 O ATOM 1133 CB SER A 79 9.491 -6.277 5.502 1.00 0.00 C ATOM 1134 OG SER A 79 10.575 -7.043 6.022 1.00 0.00 O ATOM 0 H SER A 79 11.212 -6.424 3.479 1.00 0.00 H new ATOM 0 HA SER A 79 9.113 -4.527 4.337 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.917 -5.855 6.327 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.819 -6.931 4.947 1.00 0.00 H new ATOM 0 HG SER A 79 10.226 -7.752 6.602 1.00 0.00 H new ATOM 1140 N PRO A 80 10.531 -3.157 5.882 1.00 0.00 N ATOM 1141 CA PRO A 80 9.121 -2.819 5.795 1.00 0.00 C ATOM 1142 C PRO A 80 8.765 -2.306 4.398 1.00 0.00 C ATOM 1143 O PRO A 80 9.644 -1.905 3.637 1.00 0.00 O ATOM 1144 CB PRO A 80 8.897 -1.781 6.883 1.00 0.00 C ATOM 1145 CG PRO A 80 10.274 -1.236 7.228 1.00 0.00 C ATOM 1146 CD PRO A 80 11.310 -2.171 6.625 1.00 0.00 C ATOM 0 HA PRO A 80 8.472 -3.682 5.946 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.238 -0.986 6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.423 -2.227 7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.395 -0.227 6.834 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.400 -1.173 8.309 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.996 -1.633 5.970 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.914 -2.645 7.399 1.00 0.00 H new ATOM 1154 N LEU A 81 7.474 -2.336 4.102 1.00 0.00 N ATOM 1155 CA LEU A 81 6.991 -1.880 2.810 1.00 0.00 C ATOM 1156 C LEU A 81 6.196 -0.586 2.996 1.00 0.00 C ATOM 1157 O LEU A 81 5.057 -0.614 3.460 1.00 0.00 O ATOM 1158 CB LEU A 81 6.204 -2.989 2.110 1.00 0.00 C ATOM 1159 CG LEU A 81 5.121 -2.529 1.131 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.741 -1.877 -0.106 1.00 0.00 C ATOM 1161 CD2 LEU A 81 4.188 -3.684 0.763 1.00 0.00 C ATOM 0 H LEU A 81 6.747 -2.669 4.735 1.00 0.00 H new ATOM 0 HA LEU A 81 7.828 -1.650 2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.908 -3.622 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.736 -3.612 2.872 1.00 0.00 H new ATOM 0 HG LEU A 81 4.514 -1.770 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.950 -1.559 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.330 -1.011 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.386 -2.596 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.428 -3.330 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.764 -4.483 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.706 -4.063 1.664 1.00 0.00 H new ATOM 1173 N ARG A 82 6.828 0.518 2.624 1.00 0.00 N ATOM 1174 CA ARG A 82 6.194 1.820 2.743 1.00 0.00 C ATOM 1175 C ARG A 82 5.223 2.046 1.583 1.00 0.00 C ATOM 1176 O ARG A 82 5.592 1.887 0.420 1.00 0.00 O ATOM 1177 CB ARG A 82 7.235 2.941 2.754 1.00 0.00 C ATOM 1178 CG ARG A 82 7.135 3.769 4.037 1.00 0.00 C ATOM 1179 CD ARG A 82 8.416 4.573 4.272 1.00 0.00 C ATOM 1180 NE ARG A 82 8.088 5.881 4.881 1.00 0.00 N ATOM 1181 CZ ARG A 82 9.004 6.763 5.305 1.00 0.00 C ATOM 1182 NH1 ARG A 82 10.309 6.482 5.188 1.00 0.00 N ATOM 1183 NH2 ARG A 82 8.615 7.926 5.845 1.00 0.00 N ATOM 0 H ARG A 82 7.773 0.537 2.240 1.00 0.00 H new ATOM 0 HA ARG A 82 5.648 1.838 3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.235 2.515 2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.089 3.586 1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.283 4.446 3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.954 3.110 4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.089 4.017 4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.939 4.723 3.328 1.00 0.00 H new ATOM 0 HE ARG A 82 7.104 6.127 4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.605 5.597 4.776 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.006 7.153 5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.622 8.140 5.933 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.312 8.597 6.168 1.00 0.00 H new ATOM 1197 N LEU A 83 4.001 2.415 1.938 1.00 0.00 N ATOM 1198 CA LEU A 83 2.975 2.665 0.940 1.00 0.00 C ATOM 1199 C LEU A 83 2.255 3.973 1.273 1.00 0.00 C ATOM 1200 O LEU A 83 1.695 4.119 2.358 1.00 0.00 O ATOM 1201 CB LEU A 83 2.039 1.460 0.821 1.00 0.00 C ATOM 1202 CG LEU A 83 2.662 0.179 0.263 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.724 -1.014 0.453 1.00 0.00 C ATOM 1204 CD2 LEU A 83 3.070 0.360 -1.201 1.00 0.00 C ATOM 0 H LEU A 83 3.698 2.547 2.903 1.00 0.00 H new ATOM 0 HA LEU A 83 3.423 2.789 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.632 1.242 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.199 1.739 0.185 1.00 0.00 H new ATOM 0 HG LEU A 83 3.571 -0.033 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.191 -1.912 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.526 -1.156 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.786 -0.826 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.510 -0.565 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.191 0.609 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.800 1.166 -1.278 1.00 0.00 H new ATOM 1216 N GLN A 84 2.292 4.891 0.318 1.00 0.00 N ATOM 1217 CA GLN A 84 1.650 6.182 0.496 1.00 0.00 C ATOM 1218 C GLN A 84 0.175 6.101 0.098 1.00 0.00 C ATOM 1219 O GLN A 84 -0.147 5.756 -1.038 1.00 0.00 O ATOM 1220 CB GLN A 84 2.373 7.269 -0.301 1.00 0.00 C ATOM 1221 CG GLN A 84 2.188 8.641 0.349 1.00 0.00 C ATOM 1222 CD GLN A 84 2.168 9.750 -0.705 1.00 0.00 C ATOM 1223 OE1 GLN A 84 1.298 10.604 -0.728 1.00 0.00 O ATOM 1224 NE2 GLN A 84 3.173 9.688 -1.574 1.00 0.00 N ATOM 0 H GLN A 84 2.757 4.766 -0.581 1.00 0.00 H new ATOM 0 HA GLN A 84 1.708 6.451 1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.435 7.033 -0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 84 1.991 7.292 -1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.257 8.656 0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.996 8.823 1.058 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.868 8.946 -1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.248 10.383 -2.317 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.682 6.424 1.055 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.116 6.391 0.819 1.00 0.00 C ATOM 1235 C LEU A 85 -2.650 7.823 0.757 1.00 0.00 C ATOM 1236 O LEU A 85 -2.241 8.677 1.542 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.812 5.519 1.866 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.108 4.208 2.222 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.823 3.498 3.373 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.968 3.309 0.992 1.00 0.00 C ATOM 0 H LEU A 85 -0.411 6.710 1.996 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.334 5.927 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.929 6.105 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.814 5.284 1.507 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.100 4.443 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.303 2.569 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.827 4.143 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.850 3.276 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.464 2.384 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.957 3.078 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.383 3.824 0.230 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.557 8.042 -0.184 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.152 9.356 -0.358 1.00 0.00 C ATOM 1254 C ASP A 86 -5.498 9.402 0.368 1.00 0.00 C ATOM 1255 O ASP A 86 -6.498 8.894 -0.138 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.403 9.655 -1.838 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.921 11.028 -2.310 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -4.151 12.000 -1.559 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -3.334 11.075 -3.413 1.00 0.00 O ATOM 0 H ASP A 86 -3.894 7.332 -0.834 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.461 10.095 0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.911 8.888 -2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.472 9.575 -2.033 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.480 10.016 1.542 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.687 10.135 2.343 1.00 0.00 C ATOM 1266 C ARG A 87 -7.182 11.583 2.344 1.00 0.00 C ATOM 1267 O ARG A 87 -6.594 12.444 2.996 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.438 9.688 3.784 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.726 9.172 4.429 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.462 7.905 5.245 1.00 0.00 C ATOM 1271 NE ARG A 87 -7.973 6.721 4.520 1.00 0.00 N ATOM 1272 CZ ARG A 87 -8.174 5.523 5.086 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -7.908 5.343 6.387 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -8.640 4.504 4.351 1.00 0.00 N ATOM 0 H ARG A 87 -4.649 10.436 1.958 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.444 9.488 1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.680 8.905 3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.045 10.523 4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.148 9.943 5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.466 8.963 3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.393 7.796 5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.946 7.982 6.219 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.186 6.823 3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.552 6.118 6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.061 4.431 6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.842 4.640 3.360 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.793 3.592 4.782 1.00 0.00 H new ATOM 1288 N SER A 88 -8.260 11.807 1.606 1.00 0.00 N ATOM 1289 CA SER A 88 -8.841 13.135 1.513 1.00 0.00 C ATOM 1290 C SER A 88 -10.359 13.055 1.683 1.00 0.00 C ATOM 1291 O SER A 88 -11.101 13.114 0.704 1.00 0.00 O ATOM 1292 CB SER A 88 -8.490 13.799 0.180 1.00 0.00 C ATOM 1293 OG SER A 88 -9.220 15.006 -0.024 1.00 0.00 O ATOM 0 H SER A 88 -8.746 11.090 1.067 1.00 0.00 H new ATOM 0 HA SER A 88 -8.424 13.747 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.421 14.012 0.152 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.699 13.107 -0.636 1.00 0.00 H new ATOM 0 HG SER A 88 -8.967 15.400 -0.885 1.00 0.00 H new