USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 438 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.4!) USER MOD Single : A 4 CYS SG : rot -7:sc= -0.756 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.7!) USER MOD Single : A 14 ASN : amide:sc= 0.311 K(o=0.31,f=-6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc=-0.000668 X(o=-0.00067,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -1.13 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.008 USER MOD Single : A 42 ASN :FLIP amide:sc= 0.563 F(o=-0.92,f=0.56) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 121:sc= 0.636 USER MOD Single : A 51 ASN : amide:sc= -0.195 K(o=-0.19,f=-1.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -3.334 9.260 5.519 1.00 0.00 N ATOM 21 CA ARG A 2 -3.107 9.128 4.084 1.00 0.00 C ATOM 22 C ARG A 2 -1.884 8.260 3.794 1.00 0.00 C ATOM 23 O ARG A 2 -1.375 8.249 2.673 1.00 0.00 O ATOM 24 CB ARG A 2 -2.928 10.507 3.447 1.00 0.00 C ATOM 25 CG ARG A 2 -3.122 10.512 1.939 1.00 0.00 C ATOM 26 CD ARG A 2 -4.574 10.761 1.563 1.00 0.00 C ATOM 27 NE ARG A 2 -4.700 11.734 0.480 1.00 0.00 N ATOM 28 CZ ARG A 2 -5.804 11.895 -0.247 1.00 0.00 C ATOM 29 NH1 ARG A 2 -6.876 11.150 -0.012 1.00 0.00 N ATOM 30 NH2 ARG A 2 -5.834 12.803 -1.213 1.00 0.00 N ATOM 0 HA ARG A 2 -3.981 8.642 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.637 11.201 3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.929 10.877 3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.493 11.282 1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.797 9.557 1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.037 9.821 1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.119 11.119 2.437 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.895 12.324 0.269 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.858 10.449 0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.719 11.278 -0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.012 13.377 -1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.679 12.927 -1.770 1.00 0.00 H new ATOM 44 N GLN A 3 -1.416 7.531 4.805 1.00 0.00 N ATOM 45 CA GLN A 3 -0.255 6.663 4.645 1.00 0.00 C ATOM 46 C GLN A 3 -0.313 5.489 5.618 1.00 0.00 C ATOM 47 O GLN A 3 -0.763 5.632 6.755 1.00 0.00 O ATOM 48 CB GLN A 3 1.036 7.455 4.865 1.00 0.00 C ATOM 49 CG GLN A 3 1.330 8.462 3.765 1.00 0.00 C ATOM 50 CD GLN A 3 2.526 9.339 4.083 1.00 0.00 C ATOM 51 OE1 GLN A 3 3.554 9.275 3.410 1.00 0.00 O ATOM 52 NE2 GLN A 3 2.396 10.165 5.115 1.00 0.00 N ATOM 0 H GLN A 3 -1.823 7.525 5.740 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.266 6.271 3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.972 7.980 5.818 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.871 6.758 4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.511 7.931 2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.454 9.091 3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.525 10.185 5.646 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.167 10.779 5.377 1.00 0.00 H new ATOM 61 N CYS A 4 0.151 4.330 5.163 1.00 0.00 N ATOM 62 CA CYS A 4 0.159 3.129 5.989 1.00 0.00 C ATOM 63 C CYS A 4 1.340 2.234 5.625 1.00 0.00 C ATOM 64 O CYS A 4 1.935 2.384 4.558 1.00 0.00 O ATOM 65 CB CYS A 4 -1.152 2.358 5.822 1.00 0.00 C ATOM 66 SG CYS A 4 -2.633 3.345 6.140 1.00 0.00 S ATOM 0 H CYS A 4 0.527 4.197 4.224 1.00 0.00 H new ATOM 0 HA CYS A 4 0.260 3.433 7.031 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.202 1.963 4.807 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.147 1.502 6.497 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.287 4.510 6.602 1.00 0.00 H new ATOM 72 N LYS A 5 1.674 1.301 6.512 1.00 0.00 N ATOM 73 CA LYS A 5 2.783 0.388 6.264 1.00 0.00 C ATOM 74 C LYS A 5 2.348 -1.066 6.430 1.00 0.00 C ATOM 75 O LYS A 5 1.815 -1.453 7.464 1.00 0.00 O ATOM 76 CB LYS A 5 3.935 0.699 7.222 1.00 0.00 C ATOM 77 CG LYS A 5 5.150 -0.196 7.034 1.00 0.00 C ATOM 78 CD LYS A 5 5.735 -0.629 8.369 1.00 0.00 C ATOM 79 CE LYS A 5 5.402 -2.080 8.680 1.00 0.00 C ATOM 80 NZ LYS A 5 5.641 -2.411 10.112 1.00 0.00 N ATOM 0 H LYS A 5 1.196 1.158 7.402 1.00 0.00 H new ATOM 0 HA LYS A 5 3.116 0.528 5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.237 1.738 7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.579 0.601 8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.869 -1.076 6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.908 0.334 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.817 -0.499 8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.349 0.012 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.358 -2.274 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.006 -2.734 8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.402 -3.409 10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.642 -2.251 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.046 -1.805 10.712 1.00 0.00 H new ATOM 94 N VAL A 6 2.591 -1.862 5.397 1.00 0.00 N ATOM 95 CA VAL A 6 2.241 -3.280 5.395 1.00 0.00 C ATOM 96 C VAL A 6 3.032 -4.053 6.445 1.00 0.00 C ATOM 97 O VAL A 6 4.203 -3.763 6.692 1.00 0.00 O ATOM 98 CB VAL A 6 2.497 -3.918 4.013 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.789 -5.259 3.906 1.00 0.00 C ATOM 100 CG2 VAL A 6 2.058 -2.984 2.892 1.00 0.00 C ATOM 0 H VAL A 6 3.036 -1.545 4.536 1.00 0.00 H new ATOM 0 HA VAL A 6 1.178 -3.338 5.631 1.00 0.00 H new ATOM 0 HB VAL A 6 3.569 -4.086 3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.980 -5.694 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.162 -5.930 4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.716 -5.116 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.249 -3.457 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.993 -2.775 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.618 -2.051 2.956 1.00 0.00 H new ATOM 110 N LEU A 7 2.385 -5.040 7.058 1.00 0.00 N ATOM 111 CA LEU A 7 3.028 -5.859 8.079 1.00 0.00 C ATOM 112 C LEU A 7 3.523 -7.180 7.493 1.00 0.00 C ATOM 113 O LEU A 7 4.470 -7.779 8.003 1.00 0.00 O ATOM 114 CB LEU A 7 2.064 -6.130 9.239 1.00 0.00 C ATOM 115 CG LEU A 7 0.639 -6.521 8.834 1.00 0.00 C ATOM 116 CD1 LEU A 7 0.630 -7.869 8.130 1.00 0.00 C ATOM 117 CD2 LEU A 7 -0.268 -6.551 10.054 1.00 0.00 C ATOM 0 H LEU A 7 1.416 -5.292 6.865 1.00 0.00 H new ATOM 0 HA LEU A 7 3.888 -5.306 8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.480 -6.927 9.855 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.014 -5.238 9.863 1.00 0.00 H new ATOM 0 HG LEU A 7 0.262 -5.771 8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.392 -8.127 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.248 -7.816 7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.027 -8.632 8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.277 -6.830 9.751 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.110 -7.280 10.771 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.288 -5.564 10.517 1.00 0.00 H new ATOM 129 N PHE A 8 2.877 -7.630 6.420 1.00 0.00 N ATOM 130 CA PHE A 8 3.253 -8.880 5.766 1.00 0.00 C ATOM 131 C PHE A 8 3.778 -8.620 4.356 1.00 0.00 C ATOM 132 O PHE A 8 3.825 -7.478 3.901 1.00 0.00 O ATOM 133 CB PHE A 8 2.055 -9.832 5.713 1.00 0.00 C ATOM 134 CG PHE A 8 2.189 -11.017 6.626 1.00 0.00 C ATOM 135 CD1 PHE A 8 3.109 -12.017 6.355 1.00 0.00 C ATOM 136 CD2 PHE A 8 1.393 -11.131 7.755 1.00 0.00 C ATOM 137 CE1 PHE A 8 3.234 -13.109 7.194 1.00 0.00 C ATOM 138 CE2 PHE A 8 1.513 -12.221 8.597 1.00 0.00 C ATOM 139 CZ PHE A 8 2.435 -13.211 8.316 1.00 0.00 C ATOM 0 H PHE A 8 2.091 -7.147 5.985 1.00 0.00 H new ATOM 0 HA PHE A 8 4.049 -9.343 6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.152 -9.281 5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.927 -10.185 4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.736 -11.943 5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.671 -10.360 7.979 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.956 -13.881 6.972 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.887 -12.299 9.473 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.531 -14.063 8.973 1.00 0.00 H new ATOM 149 N GLU A 9 4.174 -9.689 3.671 1.00 0.00 N ATOM 150 CA GLU A 9 4.697 -9.576 2.314 1.00 0.00 C ATOM 151 C GLU A 9 3.599 -9.821 1.283 1.00 0.00 C ATOM 152 O GLU A 9 2.666 -10.587 1.525 1.00 0.00 O ATOM 153 CB GLU A 9 5.841 -10.570 2.103 1.00 0.00 C ATOM 154 CG GLU A 9 6.831 -10.140 1.031 1.00 0.00 C ATOM 155 CD GLU A 9 8.259 -10.092 1.539 1.00 0.00 C ATOM 156 OE1 GLU A 9 8.599 -9.135 2.265 1.00 0.00 O ATOM 157 OE2 GLU A 9 9.037 -11.012 1.209 1.00 0.00 O ATOM 0 H GLU A 9 4.143 -10.642 4.033 1.00 0.00 H new ATOM 0 HA GLU A 9 5.074 -8.562 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.373 -10.704 3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.423 -11.540 1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.772 -10.830 0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.550 -9.156 0.656 1.00 0.00 H new ATOM 164 N TYR A 10 3.716 -9.164 0.133 1.00 0.00 N ATOM 165 CA TYR A 10 2.734 -9.309 -0.936 1.00 0.00 C ATOM 166 C TYR A 10 3.410 -9.700 -2.247 1.00 0.00 C ATOM 167 O TYR A 10 4.515 -9.247 -2.547 1.00 0.00 O ATOM 168 CB TYR A 10 1.954 -8.005 -1.121 1.00 0.00 C ATOM 169 CG TYR A 10 0.913 -8.068 -2.217 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.248 -8.813 -2.056 1.00 0.00 C ATOM 171 CD2 TYR A 10 1.091 -7.381 -3.412 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.202 -8.874 -3.054 1.00 0.00 C ATOM 173 CE2 TYR A 10 0.142 -7.437 -4.415 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.003 -8.184 -4.231 1.00 0.00 C ATOM 175 OH TYR A 10 -1.950 -8.242 -5.227 1.00 0.00 O ATOM 0 H TYR A 10 4.482 -8.526 -0.082 1.00 0.00 H new ATOM 0 HA TYR A 10 2.042 -10.102 -0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.464 -7.749 -0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.655 -7.201 -1.344 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.408 -9.354 -1.135 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.985 -6.794 -3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.099 -9.459 -2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.296 -6.899 -5.338 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.657 -7.700 -5.989 1.00 0.00 H new ATOM 185 N ILE A 11 2.739 -10.544 -3.025 1.00 0.00 N ATOM 186 CA ILE A 11 3.274 -10.994 -4.305 1.00 0.00 C ATOM 187 C ILE A 11 2.287 -10.724 -5.439 1.00 0.00 C ATOM 188 O ILE A 11 1.267 -11.403 -5.556 1.00 0.00 O ATOM 189 CB ILE A 11 3.603 -12.499 -4.278 1.00 0.00 C ATOM 190 CG1 ILE A 11 4.431 -12.842 -3.038 1.00 0.00 C ATOM 191 CG2 ILE A 11 4.344 -12.902 -5.544 1.00 0.00 C ATOM 192 CD1 ILE A 11 4.775 -14.311 -2.929 1.00 0.00 C ATOM 0 H ILE A 11 1.824 -10.930 -2.791 1.00 0.00 H new ATOM 0 HA ILE A 11 4.191 -10.431 -4.480 1.00 0.00 H new ATOM 0 HB ILE A 11 2.669 -13.058 -4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.353 -12.261 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.880 -12.539 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.569 -13.968 -5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.721 -12.690 -6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.273 -12.337 -5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.363 -14.481 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.857 -14.897 -2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.354 -14.615 -3.801 1.00 0.00 H new ATOM 204 N PRO A 12 2.575 -9.726 -6.295 1.00 0.00 N ATOM 205 CA PRO A 12 1.704 -9.376 -7.418 1.00 0.00 C ATOM 206 C PRO A 12 1.848 -10.344 -8.588 1.00 0.00 C ATOM 207 O PRO A 12 2.776 -11.151 -8.628 1.00 0.00 O ATOM 208 CB PRO A 12 2.193 -7.984 -7.813 1.00 0.00 C ATOM 209 CG PRO A 12 3.638 -7.979 -7.450 1.00 0.00 C ATOM 210 CD PRO A 12 3.769 -8.859 -6.233 1.00 0.00 C ATOM 0 HA PRO A 12 0.649 -9.415 -7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.051 -7.801 -8.878 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.647 -7.206 -7.280 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.247 -8.357 -8.271 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.982 -6.967 -7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.689 -9.443 -6.259 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.790 -8.272 -5.315 1.00 0.00 H new ATOM 218 N GLN A 13 0.925 -10.255 -9.539 1.00 0.00 N ATOM 219 CA GLN A 13 0.950 -11.121 -10.712 1.00 0.00 C ATOM 220 C GLN A 13 0.487 -10.367 -11.955 1.00 0.00 C ATOM 221 O GLN A 13 -0.016 -10.967 -12.905 1.00 0.00 O ATOM 222 CB GLN A 13 0.067 -12.350 -10.483 1.00 0.00 C ATOM 223 CG GLN A 13 0.852 -13.641 -10.318 1.00 0.00 C ATOM 224 CD GLN A 13 1.380 -13.828 -8.909 1.00 0.00 C ATOM 225 OE1 GLN A 13 0.939 -13.159 -7.975 1.00 0.00 O ATOM 226 NE2 GLN A 13 2.331 -14.741 -8.750 1.00 0.00 N ATOM 0 H GLN A 13 0.150 -9.592 -9.521 1.00 0.00 H new ATOM 0 HA GLN A 13 1.978 -11.447 -10.872 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.542 -12.189 -9.594 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.618 -12.456 -11.324 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.214 -14.485 -10.578 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.687 -13.646 -11.018 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.667 -15.273 -9.553 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.726 -14.911 -7.825 1.00 0.00 H new ATOM 235 N ASN A 14 0.659 -9.048 -11.942 1.00 0.00 N ATOM 236 CA ASN A 14 0.258 -8.215 -13.069 1.00 0.00 C ATOM 237 C ASN A 14 0.961 -6.862 -13.024 1.00 0.00 C ATOM 238 O ASN A 14 1.494 -6.462 -11.990 1.00 0.00 O ATOM 239 CB ASN A 14 -1.259 -8.015 -13.067 1.00 0.00 C ATOM 240 CG ASN A 14 -1.837 -7.977 -14.468 1.00 0.00 C ATOM 241 OD1 ASN A 14 -1.361 -7.238 -15.329 1.00 0.00 O ATOM 242 ND2 ASN A 14 -2.870 -8.778 -14.703 1.00 0.00 N ATOM 0 H ASN A 14 1.073 -8.535 -11.164 1.00 0.00 H new ATOM 0 HA ASN A 14 0.550 -8.725 -13.987 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.729 -8.822 -12.505 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.500 -7.085 -12.552 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.301 -8.797 -15.627 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.232 -9.374 -13.959 1.00 0.00 H new ATOM 249 N GLU A 15 0.955 -6.162 -14.154 1.00 0.00 N ATOM 250 CA GLU A 15 1.591 -4.852 -14.246 1.00 0.00 C ATOM 251 C GLU A 15 0.858 -3.823 -13.387 1.00 0.00 C ATOM 252 O GLU A 15 1.420 -2.788 -13.030 1.00 0.00 O ATOM 253 CB GLU A 15 1.630 -4.384 -15.702 1.00 0.00 C ATOM 254 CG GLU A 15 2.943 -3.726 -16.095 1.00 0.00 C ATOM 255 CD GLU A 15 4.131 -4.654 -15.932 1.00 0.00 C ATOM 256 OE1 GLU A 15 3.980 -5.864 -16.200 1.00 0.00 O ATOM 257 OE2 GLU A 15 5.212 -4.170 -15.536 1.00 0.00 O ATOM 0 H GLU A 15 0.517 -6.480 -15.019 1.00 0.00 H new ATOM 0 HA GLU A 15 2.611 -4.946 -13.872 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.452 -5.239 -16.354 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.816 -3.679 -15.870 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.884 -3.396 -17.132 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.096 -2.835 -15.485 1.00 0.00 H new ATOM 264 N ASP A 16 -0.399 -4.112 -13.059 1.00 0.00 N ATOM 265 CA ASP A 16 -1.204 -3.209 -12.244 1.00 0.00 C ATOM 266 C ASP A 16 -1.171 -3.619 -10.775 1.00 0.00 C ATOM 267 O ASP A 16 -2.144 -3.428 -10.045 1.00 0.00 O ATOM 268 CB ASP A 16 -2.650 -3.189 -12.744 1.00 0.00 C ATOM 269 CG ASP A 16 -2.745 -2.908 -14.230 1.00 0.00 C ATOM 270 OD1 ASP A 16 -2.112 -3.645 -15.016 1.00 0.00 O ATOM 271 OD2 ASP A 16 -3.452 -1.951 -14.609 1.00 0.00 O ATOM 0 H ASP A 16 -0.881 -4.964 -13.345 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.779 -2.209 -12.333 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.119 -4.149 -12.528 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.210 -2.430 -12.197 1.00 0.00 H new ATOM 276 N GLU A 17 -0.046 -4.182 -10.346 1.00 0.00 N ATOM 277 CA GLU A 17 0.112 -4.617 -8.963 1.00 0.00 C ATOM 278 C GLU A 17 1.539 -4.385 -8.479 1.00 0.00 C ATOM 279 O GLU A 17 2.499 -4.828 -9.111 1.00 0.00 O ATOM 280 CB GLU A 17 -0.253 -6.097 -8.828 1.00 0.00 C ATOM 281 CG GLU A 17 -1.698 -6.401 -9.190 1.00 0.00 C ATOM 282 CD GLU A 17 -2.001 -7.886 -9.176 1.00 0.00 C ATOM 283 OE1 GLU A 17 -1.309 -8.640 -9.892 1.00 0.00 O ATOM 284 OE2 GLU A 17 -2.931 -8.296 -8.449 1.00 0.00 O ATOM 0 H GLU A 17 0.769 -4.348 -10.936 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.562 -4.026 -8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.405 -6.685 -9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.069 -6.416 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.359 -5.892 -8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.913 -5.999 -10.180 1.00 0.00 H new ATOM 291 N LEU A 18 1.671 -3.688 -7.356 1.00 0.00 N ATOM 292 CA LEU A 18 2.982 -3.395 -6.787 1.00 0.00 C ATOM 293 C LEU A 18 3.326 -4.385 -5.679 1.00 0.00 C ATOM 294 O LEU A 18 2.439 -4.934 -5.025 1.00 0.00 O ATOM 295 CB LEU A 18 3.016 -1.966 -6.241 1.00 0.00 C ATOM 296 CG LEU A 18 4.346 -1.232 -6.428 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.106 0.237 -6.740 1.00 0.00 C ATOM 298 CD2 LEU A 18 5.215 -1.381 -5.188 1.00 0.00 C ATOM 0 H LEU A 18 0.886 -3.315 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 18 3.725 -3.491 -7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.229 -1.389 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.781 -1.994 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 18 4.871 -1.680 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.063 0.742 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.523 0.324 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.560 0.699 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.157 -0.853 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.696 -0.960 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.416 -2.437 -5.009 1.00 0.00 H new ATOM 310 N GLU A 19 4.620 -4.609 -5.475 1.00 0.00 N ATOM 311 CA GLU A 19 5.083 -5.535 -4.447 1.00 0.00 C ATOM 312 C GLU A 19 5.196 -4.837 -3.095 1.00 0.00 C ATOM 313 O GLU A 19 6.101 -4.033 -2.874 1.00 0.00 O ATOM 314 CB GLU A 19 6.435 -6.131 -4.840 1.00 0.00 C ATOM 315 CG GLU A 19 6.577 -7.603 -4.486 1.00 0.00 C ATOM 316 CD GLU A 19 7.831 -8.224 -5.070 1.00 0.00 C ATOM 317 OE1 GLU A 19 7.956 -8.254 -6.313 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.688 -8.682 -4.285 1.00 0.00 O ATOM 0 H GLU A 19 5.367 -4.162 -6.008 1.00 0.00 H new ATOM 0 HA GLU A 19 4.351 -6.338 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.578 -6.009 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.228 -5.569 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.593 -7.712 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.704 -8.146 -4.848 1.00 0.00 H new ATOM 325 N LEU A 20 4.270 -5.151 -2.194 1.00 0.00 N ATOM 326 CA LEU A 20 4.265 -4.556 -0.863 1.00 0.00 C ATOM 327 C LEU A 20 5.243 -5.277 0.059 1.00 0.00 C ATOM 328 O LEU A 20 4.947 -6.355 0.573 1.00 0.00 O ATOM 329 CB LEU A 20 2.857 -4.602 -0.267 1.00 0.00 C ATOM 330 CG LEU A 20 1.776 -3.916 -1.105 1.00 0.00 C ATOM 331 CD1 LEU A 20 0.496 -4.737 -1.105 1.00 0.00 C ATOM 332 CD2 LEU A 20 1.511 -2.511 -0.583 1.00 0.00 C ATOM 0 H LEU A 20 3.514 -5.814 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 20 4.580 -3.517 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.575 -5.645 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.881 -4.137 0.719 1.00 0.00 H new ATOM 0 HG LEU A 20 2.133 -3.841 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.260 -4.232 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.696 -5.722 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.133 -4.846 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.740 -2.037 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.176 -2.565 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.428 -1.924 -0.637 1.00 0.00 H new ATOM 344 N LYS A 21 6.410 -4.675 0.262 1.00 0.00 N ATOM 345 CA LYS A 21 7.432 -5.261 1.122 1.00 0.00 C ATOM 346 C LYS A 21 7.190 -4.894 2.583 1.00 0.00 C ATOM 347 O LYS A 21 6.691 -3.810 2.887 1.00 0.00 O ATOM 348 CB LYS A 21 8.824 -4.794 0.688 1.00 0.00 C ATOM 349 CG LYS A 21 9.611 -5.852 -0.069 1.00 0.00 C ATOM 350 CD LYS A 21 10.233 -6.869 0.877 1.00 0.00 C ATOM 351 CE LYS A 21 11.749 -6.897 0.751 1.00 0.00 C ATOM 352 NZ LYS A 21 12.217 -8.058 -0.055 1.00 0.00 N ATOM 0 H LYS A 21 6.672 -3.782 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 21 7.375 -6.345 1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.722 -3.910 0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.389 -4.494 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.953 -6.363 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.395 -5.373 -0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.957 -6.628 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.831 -7.859 0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.092 -5.972 0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.195 -6.941 1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.255 -8.041 -0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.912 -8.942 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.812 -8.003 -1.011 1.00 0.00 H new ATOM 366 N VAL A 22 7.547 -5.803 3.483 1.00 0.00 N ATOM 367 CA VAL A 22 7.370 -5.575 4.912 1.00 0.00 C ATOM 368 C VAL A 22 8.203 -4.389 5.385 1.00 0.00 C ATOM 369 O VAL A 22 9.403 -4.317 5.122 1.00 0.00 O ATOM 370 CB VAL A 22 7.759 -6.819 5.732 1.00 0.00 C ATOM 371 CG1 VAL A 22 7.366 -6.644 7.190 1.00 0.00 C ATOM 372 CG2 VAL A 22 7.118 -8.068 5.146 1.00 0.00 C ATOM 0 H VAL A 22 7.961 -6.705 3.248 1.00 0.00 H new ATOM 0 HA VAL A 22 6.313 -5.361 5.070 1.00 0.00 H new ATOM 0 HB VAL A 22 8.841 -6.937 5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.649 -7.534 7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.878 -5.775 7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.288 -6.498 7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.405 -8.936 5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.033 -7.961 5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.456 -8.203 4.119 1.00 0.00 H new ATOM 382 N GLY A 23 7.558 -3.461 6.084 1.00 0.00 N ATOM 383 CA GLY A 23 8.257 -2.292 6.582 1.00 0.00 C ATOM 384 C GLY A 23 8.220 -1.123 5.613 1.00 0.00 C ATOM 385 O GLY A 23 8.678 -0.028 5.938 1.00 0.00 O ATOM 0 H GLY A 23 6.565 -3.498 6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.813 -1.986 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.295 -2.555 6.786 1.00 0.00 H new ATOM 389 N ASP A 24 7.677 -1.353 4.420 1.00 0.00 N ATOM 390 CA ASP A 24 7.589 -0.305 3.408 1.00 0.00 C ATOM 391 C ASP A 24 6.299 0.494 3.560 1.00 0.00 C ATOM 392 O ASP A 24 5.255 -0.054 3.914 1.00 0.00 O ATOM 393 CB ASP A 24 7.663 -0.913 2.007 1.00 0.00 C ATOM 394 CG ASP A 24 9.078 -1.290 1.613 1.00 0.00 C ATOM 395 OD1 ASP A 24 9.611 -2.269 2.178 1.00 0.00 O ATOM 396 OD2 ASP A 24 9.654 -0.607 0.740 1.00 0.00 O ATOM 0 H ASP A 24 7.293 -2.253 4.132 1.00 0.00 H new ATOM 0 HA ASP A 24 8.432 0.372 3.549 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.029 -1.799 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.265 -0.201 1.284 1.00 0.00 H new ATOM 401 N ILE A 25 6.379 1.793 3.287 1.00 0.00 N ATOM 402 CA ILE A 25 5.216 2.668 3.391 1.00 0.00 C ATOM 403 C ILE A 25 4.809 3.200 2.022 1.00 0.00 C ATOM 404 O ILE A 25 5.659 3.480 1.176 1.00 0.00 O ATOM 405 CB ILE A 25 5.484 3.860 4.331 1.00 0.00 C ATOM 406 CG1 ILE A 25 6.225 3.394 5.588 1.00 0.00 C ATOM 407 CG2 ILE A 25 4.174 4.543 4.699 1.00 0.00 C ATOM 408 CD1 ILE A 25 6.384 4.475 6.637 1.00 0.00 C ATOM 0 H ILE A 25 7.235 2.262 2.993 1.00 0.00 H new ATOM 0 HA ILE A 25 4.406 2.067 3.805 1.00 0.00 H new ATOM 0 HB ILE A 25 6.115 4.581 3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.687 2.552 6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.212 3.029 5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.376 5.383 5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.686 4.905 3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.521 3.830 5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.918 4.071 7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.948 5.308 6.218 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.401 4.824 6.951 1.00 0.00 H new ATOM 420 N ILE A 26 3.505 3.336 1.809 1.00 0.00 N ATOM 421 CA ILE A 26 2.987 3.833 0.541 1.00 0.00 C ATOM 422 C ILE A 26 1.925 4.904 0.762 1.00 0.00 C ATOM 423 O ILE A 26 1.083 4.785 1.653 1.00 0.00 O ATOM 424 CB ILE A 26 2.384 2.696 -0.305 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.345 1.506 -0.360 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.063 3.192 -1.707 1.00 0.00 C ATOM 427 CD1 ILE A 26 3.001 0.404 0.618 1.00 0.00 C ATOM 0 H ILE A 26 2.788 3.109 2.498 1.00 0.00 H new ATOM 0 HA ILE A 26 3.831 4.267 0.004 1.00 0.00 H new ATOM 0 HB ILE A 26 1.456 2.367 0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.346 1.097 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.357 1.857 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.638 2.377 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.345 4.010 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.976 3.545 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.724 -0.406 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.029 0.798 1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.002 0.025 0.403 1.00 0.00 H new ATOM 439 N ASP A 27 1.970 5.952 -0.056 1.00 0.00 N ATOM 440 CA ASP A 27 1.011 7.046 0.048 1.00 0.00 C ATOM 441 C ASP A 27 -0.131 6.864 -0.946 1.00 0.00 C ATOM 442 O ASP A 27 0.091 6.787 -2.154 1.00 0.00 O ATOM 443 CB ASP A 27 1.707 8.386 -0.196 1.00 0.00 C ATOM 444 CG ASP A 27 2.849 8.630 0.770 1.00 0.00 C ATOM 445 OD1 ASP A 27 3.410 7.642 1.288 1.00 0.00 O ATOM 446 OD2 ASP A 27 3.183 9.810 1.009 1.00 0.00 O ATOM 0 H ASP A 27 2.661 6.066 -0.798 1.00 0.00 H new ATOM 0 HA ASP A 27 0.596 7.038 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.087 8.414 -1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.979 9.192 -0.104 1.00 0.00 H new ATOM 451 N ILE A 28 -1.354 6.796 -0.430 1.00 0.00 N ATOM 452 CA ILE A 28 -2.531 6.623 -1.272 1.00 0.00 C ATOM 453 C ILE A 28 -2.875 7.913 -2.009 1.00 0.00 C ATOM 454 O ILE A 28 -2.956 8.982 -1.404 1.00 0.00 O ATOM 455 CB ILE A 28 -3.752 6.175 -0.447 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.380 4.999 0.459 1.00 0.00 C ATOM 457 CG2 ILE A 28 -4.904 5.801 -1.366 1.00 0.00 C ATOM 458 CD1 ILE A 28 -3.060 5.408 1.880 1.00 0.00 C ATOM 0 H ILE A 28 -1.555 6.858 0.568 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.288 5.847 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.071 7.006 0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.204 4.286 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.518 4.483 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.759 5.487 -0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.182 6.664 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.598 4.984 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.805 4.524 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.216 6.098 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.928 5.898 2.322 1.00 0.00 H new ATOM 470 N ASN A 29 -3.076 7.805 -3.318 1.00 0.00 N ATOM 471 CA ASN A 29 -3.413 8.963 -4.138 1.00 0.00 C ATOM 472 C ASN A 29 -4.925 9.116 -4.269 1.00 0.00 C ATOM 473 O ASN A 29 -5.463 10.212 -4.119 1.00 0.00 O ATOM 474 CB ASN A 29 -2.780 8.833 -5.525 1.00 0.00 C ATOM 475 CG ASN A 29 -2.741 10.154 -6.269 1.00 0.00 C ATOM 476 OD1 ASN A 29 -3.417 10.328 -7.283 1.00 0.00 O ATOM 477 ND2 ASN A 29 -1.946 11.092 -5.768 1.00 0.00 N ATOM 0 H ASN A 29 -3.011 6.927 -3.834 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.017 9.852 -3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.766 8.446 -5.424 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.342 8.106 -6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.878 12.001 -6.226 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.404 10.904 -4.925 1.00 0.00 H new ATOM 484 N GLU A 30 -5.604 8.008 -4.549 1.00 0.00 N ATOM 485 CA GLU A 30 -7.055 8.019 -4.699 1.00 0.00 C ATOM 486 C GLU A 30 -7.623 6.608 -4.594 1.00 0.00 C ATOM 487 O GLU A 30 -7.154 5.687 -5.263 1.00 0.00 O ATOM 488 CB GLU A 30 -7.444 8.641 -6.042 1.00 0.00 C ATOM 489 CG GLU A 30 -8.675 9.530 -5.966 1.00 0.00 C ATOM 490 CD GLU A 30 -9.019 10.165 -7.300 1.00 0.00 C ATOM 491 OE1 GLU A 30 -8.129 10.229 -8.174 1.00 0.00 O ATOM 492 OE2 GLU A 30 -10.177 10.599 -7.469 1.00 0.00 O ATOM 0 H GLU A 30 -5.173 7.092 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.475 8.620 -3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.605 9.227 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.625 7.844 -6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.524 8.940 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.508 10.314 -5.227 1.00 0.00 H new ATOM 499 N GLU A 31 -8.637 6.445 -3.750 1.00 0.00 N ATOM 500 CA GLU A 31 -9.270 5.146 -3.558 1.00 0.00 C ATOM 501 C GLU A 31 -10.280 4.863 -4.665 1.00 0.00 C ATOM 502 O GLU A 31 -10.901 5.781 -5.202 1.00 0.00 O ATOM 503 CB GLU A 31 -9.962 5.089 -2.194 1.00 0.00 C ATOM 504 CG GLU A 31 -9.011 5.267 -1.022 1.00 0.00 C ATOM 505 CD GLU A 31 -9.738 5.403 0.302 1.00 0.00 C ATOM 506 OE1 GLU A 31 -10.604 4.551 0.594 1.00 0.00 O ATOM 507 OE2 GLU A 31 -9.442 6.360 1.047 1.00 0.00 O ATOM 0 H GLU A 31 -9.037 7.196 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.493 4.383 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.727 5.864 -2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.473 4.131 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.334 4.414 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.397 6.152 -1.188 1.00 0.00 H new ATOM 514 N VAL A 32 -10.441 3.587 -5.002 1.00 0.00 N ATOM 515 CA VAL A 32 -11.377 3.185 -6.044 1.00 0.00 C ATOM 516 C VAL A 32 -12.665 2.633 -5.442 1.00 0.00 C ATOM 517 O VAL A 32 -13.752 3.149 -5.699 1.00 0.00 O ATOM 518 CB VAL A 32 -10.760 2.121 -6.974 1.00 0.00 C ATOM 519 CG1 VAL A 32 -11.689 1.829 -8.143 1.00 0.00 C ATOM 520 CG2 VAL A 32 -9.394 2.571 -7.471 1.00 0.00 C ATOM 0 H VAL A 32 -9.935 2.815 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.605 4.078 -6.627 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.629 1.201 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.236 1.076 -8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.642 1.459 -7.766 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.855 2.743 -8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.975 1.807 -8.126 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.497 3.505 -8.023 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.730 2.724 -6.621 1.00 0.00 H new ATOM 530 N GLU A 33 -12.534 1.582 -4.640 1.00 0.00 N ATOM 531 CA GLU A 33 -13.688 0.960 -4.000 1.00 0.00 C ATOM 532 C GLU A 33 -13.250 0.014 -2.887 1.00 0.00 C ATOM 533 O GLU A 33 -12.056 -0.159 -2.641 1.00 0.00 O ATOM 534 CB GLU A 33 -14.522 0.199 -5.033 1.00 0.00 C ATOM 535 CG GLU A 33 -13.783 -0.966 -5.671 1.00 0.00 C ATOM 536 CD GLU A 33 -14.648 -1.739 -6.647 1.00 0.00 C ATOM 537 OE1 GLU A 33 -15.389 -2.640 -6.200 1.00 0.00 O ATOM 538 OE2 GLU A 33 -14.583 -1.444 -7.859 1.00 0.00 O ATOM 0 H GLU A 33 -11.641 1.143 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.297 1.750 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.427 -0.174 -4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.837 0.891 -5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.901 -0.592 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.431 -1.640 -4.890 1.00 0.00 H new ATOM 545 N GLU A 34 -14.223 -0.595 -2.217 1.00 0.00 N ATOM 546 CA GLU A 34 -13.936 -1.524 -1.130 1.00 0.00 C ATOM 547 C GLU A 34 -13.292 -2.801 -1.663 1.00 0.00 C ATOM 548 O GLU A 34 -13.935 -3.848 -1.740 1.00 0.00 O ATOM 549 CB GLU A 34 -15.220 -1.861 -0.367 1.00 0.00 C ATOM 550 CG GLU A 34 -15.360 -1.108 0.946 1.00 0.00 C ATOM 551 CD GLU A 34 -16.151 0.177 0.799 1.00 0.00 C ATOM 552 OE1 GLU A 34 -17.296 0.117 0.304 1.00 0.00 O ATOM 553 OE2 GLU A 34 -15.625 1.245 1.180 1.00 0.00 O ATOM 0 H GLU A 34 -15.216 -0.462 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.234 -1.044 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -16.079 -1.636 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.244 -2.932 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.849 -1.750 1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.369 -0.878 1.336 1.00 0.00 H new ATOM 560 N GLY A 35 -12.018 -2.705 -2.028 1.00 0.00 N ATOM 561 CA GLY A 35 -11.306 -3.857 -2.549 1.00 0.00 C ATOM 562 C GLY A 35 -9.894 -3.517 -2.984 1.00 0.00 C ATOM 563 O GLY A 35 -8.924 -3.977 -2.382 1.00 0.00 O ATOM 0 H GLY A 35 -11.466 -1.849 -1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.271 -4.634 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.855 -4.267 -3.396 1.00 0.00 H new ATOM 567 N TRP A 36 -9.779 -2.708 -4.032 1.00 0.00 N ATOM 568 CA TRP A 36 -8.476 -2.304 -4.547 1.00 0.00 C ATOM 569 C TRP A 36 -8.149 -0.872 -4.136 1.00 0.00 C ATOM 570 O TRP A 36 -9.003 0.012 -4.200 1.00 0.00 O ATOM 571 CB TRP A 36 -8.446 -2.429 -6.072 1.00 0.00 C ATOM 572 CG TRP A 36 -8.957 -3.746 -6.571 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.127 -3.972 -7.237 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.315 -5.020 -6.442 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.252 -5.308 -7.531 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.152 -5.973 -7.054 1.00 0.00 C ATOM 577 CE3 TRP A 36 -7.113 -5.449 -5.870 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -8.826 -7.325 -7.109 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -6.791 -6.792 -5.926 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.644 -7.716 -6.541 1.00 0.00 C ATOM 0 H TRP A 36 -10.573 -2.319 -4.541 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.723 -2.966 -4.120 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.043 -1.628 -6.507 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.423 -2.289 -6.421 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -10.849 -3.211 -7.495 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.036 -5.736 -8.024 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.448 -4.744 -5.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -9.482 -8.040 -7.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.865 -7.134 -5.488 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.364 -8.759 -6.568 1.00 0.00 H new ATOM 591 N TRP A 37 -6.909 -0.651 -3.715 1.00 0.00 N ATOM 592 CA TRP A 37 -6.469 0.674 -3.293 1.00 0.00 C ATOM 593 C TRP A 37 -5.257 1.128 -4.101 1.00 0.00 C ATOM 594 O TRP A 37 -4.574 0.315 -4.723 1.00 0.00 O ATOM 595 CB TRP A 37 -6.133 0.671 -1.800 1.00 0.00 C ATOM 596 CG TRP A 37 -7.248 1.182 -0.940 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.587 0.997 -1.138 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.123 1.962 0.254 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.301 1.615 -0.139 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.424 2.215 0.727 1.00 0.00 C ATOM 601 CE3 TRP A 37 -6.035 2.472 0.970 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -8.667 2.954 1.882 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.278 3.206 2.117 1.00 0.00 C ATOM 604 CH2 TRP A 37 -7.584 3.440 2.563 1.00 0.00 C ATOM 0 H TRP A 37 -6.190 -1.372 -3.657 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.284 1.375 -3.472 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.883 -0.345 -1.493 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.246 1.282 -1.633 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.021 0.446 -1.959 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.318 1.625 -0.056 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.024 2.296 0.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.674 3.137 2.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.446 3.605 2.678 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.740 4.016 3.463 1.00 0.00 H new ATOM 615 N SER A 38 -4.998 2.431 -4.086 1.00 0.00 N ATOM 616 CA SER A 38 -3.869 2.994 -4.818 1.00 0.00 C ATOM 617 C SER A 38 -2.788 3.482 -3.859 1.00 0.00 C ATOM 618 O SER A 38 -3.068 3.802 -2.703 1.00 0.00 O ATOM 619 CB SER A 38 -4.336 4.148 -5.707 1.00 0.00 C ATOM 620 OG SER A 38 -4.745 3.679 -6.980 1.00 0.00 O ATOM 0 H SER A 38 -5.554 3.117 -3.575 1.00 0.00 H new ATOM 0 HA SER A 38 -3.446 2.209 -5.445 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.163 4.670 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.528 4.870 -5.825 1.00 0.00 H new ATOM 0 HG SER A 38 -5.040 4.436 -7.528 1.00 0.00 H new ATOM 626 N GLY A 39 -1.552 3.536 -4.345 1.00 0.00 N ATOM 627 CA GLY A 39 -0.449 3.985 -3.517 1.00 0.00 C ATOM 628 C GLY A 39 0.734 4.465 -4.334 1.00 0.00 C ATOM 629 O GLY A 39 0.887 4.091 -5.497 1.00 0.00 O ATOM 0 H GLY A 39 -1.295 3.277 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.791 4.793 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.131 3.169 -2.868 1.00 0.00 H new ATOM 633 N THR A 40 1.573 5.295 -3.724 1.00 0.00 N ATOM 634 CA THR A 40 2.750 5.828 -4.400 1.00 0.00 C ATOM 635 C THR A 40 3.943 5.884 -3.451 1.00 0.00 C ATOM 636 O THR A 40 3.795 6.201 -2.271 1.00 0.00 O ATOM 637 CB THR A 40 2.458 7.224 -4.954 1.00 0.00 C ATOM 638 OG1 THR A 40 1.093 7.345 -5.314 1.00 0.00 O ATOM 639 CG2 THR A 40 3.286 7.571 -6.172 1.00 0.00 C ATOM 0 H THR A 40 1.460 5.614 -2.762 1.00 0.00 H new ATOM 0 HA THR A 40 2.997 5.161 -5.226 1.00 0.00 H new ATOM 0 HB THR A 40 2.718 7.913 -4.150 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.926 8.245 -5.665 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.029 8.574 -6.513 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.345 7.536 -5.914 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.082 6.854 -6.967 1.00 0.00 H new ATOM 647 N LEU A 41 5.125 5.573 -3.973 1.00 0.00 N ATOM 648 CA LEU A 41 6.342 5.587 -3.170 1.00 0.00 C ATOM 649 C LEU A 41 7.202 6.801 -3.508 1.00 0.00 C ATOM 650 O LEU A 41 7.610 7.552 -2.622 1.00 0.00 O ATOM 651 CB LEU A 41 7.141 4.300 -3.393 1.00 0.00 C ATOM 652 CG LEU A 41 7.744 3.685 -2.125 1.00 0.00 C ATOM 653 CD1 LEU A 41 7.144 2.313 -1.857 1.00 0.00 C ATOM 654 CD2 LEU A 41 9.258 3.591 -2.244 1.00 0.00 C ATOM 0 H LEU A 41 5.266 5.308 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 41 6.055 5.649 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.490 3.563 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.947 4.508 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 41 7.505 4.334 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.585 1.893 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.066 2.407 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.350 1.655 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.668 3.152 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.518 2.965 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.674 4.588 -2.385 1.00 0.00 H new ATOM 666 N ASN A 42 7.474 6.985 -4.795 1.00 0.00 N ATOM 667 CA ASN A 42 8.284 8.107 -5.254 1.00 0.00 C ATOM 668 C ASN A 42 7.947 8.463 -6.698 1.00 0.00 C ATOM 669 O ASN A 42 7.301 9.476 -6.964 1.00 0.00 O ATOM 670 CB ASN A 42 9.773 7.771 -5.130 1.00 0.00 C ATOM 671 CG ASN A 42 10.433 8.487 -3.968 1.00 0.00 C ATOM 672 OD1 ASN A 42 11.682 8.896 -4.157 1.00 0.00 O flip ATOM 673 ND2 ASN A 42 9.827 8.670 -2.912 1.00 0.00 N flip ATOM 0 H ASN A 42 7.145 6.371 -5.540 1.00 0.00 H new ATOM 0 HA ASN A 42 8.061 8.969 -4.625 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.890 6.695 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.282 8.041 -6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.868 8.339 -2.810 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.284 9.153 -2.139 1.00 0.00 H new ATOM 680 N ASN A 43 8.388 7.621 -7.626 1.00 0.00 N ATOM 681 CA ASN A 43 8.133 7.844 -9.045 1.00 0.00 C ATOM 682 C ASN A 43 7.225 6.758 -9.622 1.00 0.00 C ATOM 683 O ASN A 43 6.626 6.939 -10.682 1.00 0.00 O ATOM 684 CB ASN A 43 9.454 7.887 -9.819 1.00 0.00 C ATOM 685 CG ASN A 43 9.726 9.252 -10.423 1.00 0.00 C ATOM 686 OD1 ASN A 43 10.006 10.215 -9.709 1.00 0.00 O ATOM 687 ND2 ASN A 43 9.645 9.340 -11.746 1.00 0.00 N ATOM 0 H ASN A 43 8.924 6.778 -7.421 1.00 0.00 H new ATOM 0 HA ASN A 43 7.624 8.802 -9.148 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.272 7.619 -9.151 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.432 7.140 -10.612 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.818 10.232 -12.209 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.410 8.515 -12.299 1.00 0.00 H new ATOM 694 N LYS A 44 7.127 5.630 -8.921 1.00 0.00 N ATOM 695 CA LYS A 44 6.292 4.523 -9.372 1.00 0.00 C ATOM 696 C LYS A 44 4.916 4.574 -8.716 1.00 0.00 C ATOM 697 O LYS A 44 4.779 4.996 -7.568 1.00 0.00 O ATOM 698 CB LYS A 44 6.973 3.187 -9.063 1.00 0.00 C ATOM 699 CG LYS A 44 7.269 2.355 -10.301 1.00 0.00 C ATOM 700 CD LYS A 44 8.764 2.228 -10.546 1.00 0.00 C ATOM 701 CE LYS A 44 9.260 3.280 -11.526 1.00 0.00 C ATOM 702 NZ LYS A 44 9.982 4.385 -10.837 1.00 0.00 N ATOM 0 H LYS A 44 7.615 5.461 -8.041 1.00 0.00 H new ATOM 0 HA LYS A 44 6.160 4.615 -10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.906 3.378 -8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.336 2.611 -8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.833 1.363 -10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.795 2.813 -11.169 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.298 2.329 -9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.987 1.234 -10.934 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.922 2.813 -12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.414 3.688 -12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.304 5.081 -11.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.343 4.848 -10.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.804 3.999 -10.330 1.00 0.00 H new ATOM 716 N LEU A 45 3.899 4.140 -9.454 1.00 0.00 N ATOM 717 CA LEU A 45 2.532 4.135 -8.946 1.00 0.00 C ATOM 718 C LEU A 45 1.852 2.799 -9.233 1.00 0.00 C ATOM 719 O LEU A 45 1.763 2.372 -10.384 1.00 0.00 O ATOM 720 CB LEU A 45 1.729 5.277 -9.573 1.00 0.00 C ATOM 721 CG LEU A 45 0.813 6.031 -8.608 1.00 0.00 C ATOM 722 CD1 LEU A 45 0.440 7.390 -9.179 1.00 0.00 C ATOM 723 CD2 LEU A 45 -0.436 5.214 -8.312 1.00 0.00 C ATOM 0 H LEU A 45 3.996 3.787 -10.406 1.00 0.00 H new ATOM 0 HA LEU A 45 2.570 4.278 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.425 5.988 -10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.123 4.872 -10.384 1.00 0.00 H new ATOM 0 HG LEU A 45 1.351 6.188 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.212 7.912 -8.479 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.344 7.977 -9.340 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.080 7.256 -10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.077 5.765 -7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.977 5.027 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.151 4.264 -7.860 1.00 0.00 H new ATOM 735 N GLY A 46 1.374 2.145 -8.179 1.00 0.00 N ATOM 736 CA GLY A 46 0.709 0.866 -8.341 1.00 0.00 C ATOM 737 C GLY A 46 -0.429 0.674 -7.358 1.00 0.00 C ATOM 738 O GLY A 46 -0.564 1.433 -6.398 1.00 0.00 O ATOM 0 H GLY A 46 1.435 2.478 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.324 0.787 -9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.435 0.064 -8.212 1.00 0.00 H new ATOM 742 N LEU A 47 -1.251 -0.343 -7.598 1.00 0.00 N ATOM 743 CA LEU A 47 -2.385 -0.633 -6.728 1.00 0.00 C ATOM 744 C LEU A 47 -2.291 -2.048 -6.166 1.00 0.00 C ATOM 745 O LEU A 47 -1.605 -2.904 -6.725 1.00 0.00 O ATOM 746 CB LEU A 47 -3.699 -0.462 -7.492 1.00 0.00 C ATOM 747 CG LEU A 47 -3.858 0.876 -8.216 1.00 0.00 C ATOM 748 CD1 LEU A 47 -3.264 0.800 -9.613 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.325 1.275 -8.279 1.00 0.00 C ATOM 0 H LEU A 47 -1.153 -0.980 -8.388 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.362 0.072 -5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.783 -1.266 -8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.526 -0.580 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.318 1.639 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.386 1.761 -10.113 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.203 0.559 -9.545 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.776 0.026 -10.184 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.421 2.229 -8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.887 0.512 -8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.720 1.370 -7.268 1.00 0.00 H new ATOM 761 N PHE A 48 -2.985 -2.286 -5.058 1.00 0.00 N ATOM 762 CA PHE A 48 -2.980 -3.598 -4.420 1.00 0.00 C ATOM 763 C PHE A 48 -4.097 -3.703 -3.384 1.00 0.00 C ATOM 764 O PHE A 48 -4.702 -2.699 -3.009 1.00 0.00 O ATOM 765 CB PHE A 48 -1.626 -3.873 -3.757 1.00 0.00 C ATOM 766 CG PHE A 48 -0.908 -2.633 -3.301 1.00 0.00 C ATOM 767 CD1 PHE A 48 -1.546 -1.703 -2.496 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.405 -2.400 -3.678 1.00 0.00 C ATOM 769 CE1 PHE A 48 -0.888 -0.562 -2.076 1.00 0.00 C ATOM 770 CE2 PHE A 48 1.068 -1.261 -3.262 1.00 0.00 C ATOM 771 CZ PHE A 48 0.421 -0.341 -2.460 1.00 0.00 C ATOM 0 H PHE A 48 -3.558 -1.588 -4.583 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.151 -4.346 -5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.779 -4.529 -2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.991 -4.411 -4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.569 -1.871 -2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.916 -3.117 -4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.396 0.155 -1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.091 -1.090 -3.564 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.937 0.550 -2.134 1.00 0.00 H new ATOM 781 N PRO A 49 -4.385 -4.927 -2.908 1.00 0.00 N ATOM 782 CA PRO A 49 -5.437 -5.159 -1.912 1.00 0.00 C ATOM 783 C PRO A 49 -5.208 -4.364 -0.631 1.00 0.00 C ATOM 784 O PRO A 49 -4.173 -4.500 0.021 1.00 0.00 O ATOM 785 CB PRO A 49 -5.344 -6.662 -1.628 1.00 0.00 C ATOM 786 CG PRO A 49 -4.659 -7.239 -2.818 1.00 0.00 C ATOM 787 CD PRO A 49 -3.715 -6.177 -3.304 1.00 0.00 C ATOM 0 HA PRO A 49 -6.414 -4.842 -2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.780 -6.857 -0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.333 -7.100 -1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.121 -8.150 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.379 -7.506 -3.592 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.732 -6.271 -2.843 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.568 -6.231 -4.383 1.00 0.00 H new ATOM 795 N SER A 50 -6.183 -3.534 -0.276 1.00 0.00 N ATOM 796 CA SER A 50 -6.093 -2.716 0.928 1.00 0.00 C ATOM 797 C SER A 50 -6.065 -3.583 2.185 1.00 0.00 C ATOM 798 O SER A 50 -5.644 -3.132 3.250 1.00 0.00 O ATOM 799 CB SER A 50 -7.271 -1.741 0.995 1.00 0.00 C ATOM 800 OG SER A 50 -7.096 -0.801 2.041 1.00 0.00 O ATOM 0 H SER A 50 -7.046 -3.410 -0.806 1.00 0.00 H new ATOM 0 HA SER A 50 -5.161 -2.153 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.368 -1.218 0.044 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.197 -2.295 1.150 1.00 0.00 H new ATOM 0 HG SER A 50 -7.096 0.106 1.669 1.00 0.00 H new ATOM 806 N ASN A 51 -6.521 -4.826 2.057 1.00 0.00 N ATOM 807 CA ASN A 51 -6.552 -5.748 3.187 1.00 0.00 C ATOM 808 C ASN A 51 -5.145 -6.021 3.714 1.00 0.00 C ATOM 809 O ASN A 51 -4.965 -6.316 4.896 1.00 0.00 O ATOM 810 CB ASN A 51 -7.220 -7.062 2.779 1.00 0.00 C ATOM 811 CG ASN A 51 -8.084 -7.639 3.884 1.00 0.00 C ATOM 812 OD1 ASN A 51 -8.623 -6.906 4.713 1.00 0.00 O ATOM 813 ND2 ASN A 51 -8.220 -8.960 3.900 1.00 0.00 N ATOM 0 H ASN A 51 -6.873 -5.217 1.183 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.131 -5.283 3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.832 -6.895 1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.453 -7.787 2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.790 -9.405 4.619 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.755 -9.529 3.193 1.00 0.00 H new ATOM 820 N PHE A 52 -4.152 -5.921 2.837 1.00 0.00 N ATOM 821 CA PHE A 52 -2.766 -6.157 3.228 1.00 0.00 C ATOM 822 C PHE A 52 -2.245 -5.010 4.094 1.00 0.00 C ATOM 823 O PHE A 52 -2.323 -5.079 5.320 1.00 0.00 O ATOM 824 CB PHE A 52 -1.884 -6.339 1.989 1.00 0.00 C ATOM 825 CG PHE A 52 -1.648 -7.777 1.625 1.00 0.00 C ATOM 826 CD1 PHE A 52 -2.525 -8.446 0.786 1.00 0.00 C ATOM 827 CD2 PHE A 52 -0.549 -8.460 2.123 1.00 0.00 C ATOM 828 CE1 PHE A 52 -2.310 -9.769 0.450 1.00 0.00 C ATOM 829 CE2 PHE A 52 -0.330 -9.784 1.790 1.00 0.00 C ATOM 830 CZ PHE A 52 -1.212 -10.439 0.952 1.00 0.00 C ATOM 0 H PHE A 52 -4.280 -5.679 1.854 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.728 -7.073 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.349 -5.831 1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.923 -5.854 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.386 -7.928 0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.144 -7.952 2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.001 -10.279 -0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.529 -10.306 2.184 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.043 -11.473 0.690 1.00 0.00 H new ATOM 840 N VAL A 53 -1.714 -3.965 3.441 1.00 0.00 N ATOM 841 CA VAL A 53 -1.172 -2.773 4.117 1.00 0.00 C ATOM 842 C VAL A 53 -1.623 -2.646 5.572 1.00 0.00 C ATOM 843 O VAL A 53 -2.755 -2.989 5.916 1.00 0.00 O ATOM 844 CB VAL A 53 -1.563 -1.485 3.369 1.00 0.00 C ATOM 845 CG1 VAL A 53 -0.817 -1.386 2.047 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.067 -1.434 3.146 1.00 0.00 C ATOM 0 H VAL A 53 -1.648 -3.921 2.424 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.090 -2.904 4.108 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.280 -0.630 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.107 -0.469 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.257 -1.373 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.065 -2.245 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.325 -0.517 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.376 -2.295 2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.578 -1.453 4.108 1.00 0.00 H new ATOM 856 N LYS A 54 -0.741 -2.129 6.422 1.00 0.00 N ATOM 857 CA LYS A 54 -1.067 -1.948 7.830 1.00 0.00 C ATOM 858 C LYS A 54 -0.952 -0.485 8.248 1.00 0.00 C ATOM 859 O LYS A 54 0.100 0.133 8.101 1.00 0.00 O ATOM 860 CB LYS A 54 -0.172 -2.817 8.717 1.00 0.00 C ATOM 861 CG LYS A 54 -0.858 -3.293 9.987 1.00 0.00 C ATOM 862 CD LYS A 54 0.098 -3.296 11.170 1.00 0.00 C ATOM 863 CE LYS A 54 0.567 -1.890 11.511 1.00 0.00 C ATOM 864 NZ LYS A 54 2.041 -1.830 11.717 1.00 0.00 N ATOM 0 H LYS A 54 0.199 -1.830 6.161 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.103 -2.261 7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.160 -3.684 8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.720 -2.251 8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.708 -2.647 10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.252 -4.298 9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.395 -3.736 12.037 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.960 -3.923 10.941 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.285 -1.209 10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.060 -1.547 12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.320 -0.855 11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.308 -2.461 12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.526 -2.132 10.848 1.00 0.00 H new ATOM 878 N GLU A 55 -2.043 0.061 8.774 1.00 0.00 N ATOM 879 CA GLU A 55 -2.064 1.450 9.217 1.00 0.00 C ATOM 880 C GLU A 55 -1.060 1.675 10.343 1.00 0.00 C ATOM 881 O GLU A 55 -0.981 0.885 11.284 1.00 0.00 O ATOM 882 CB GLU A 55 -3.468 1.838 9.683 1.00 0.00 C ATOM 883 CG GLU A 55 -4.563 1.446 8.706 1.00 0.00 C ATOM 884 CD GLU A 55 -5.672 2.477 8.629 1.00 0.00 C ATOM 885 OE1 GLU A 55 -6.499 2.530 9.564 1.00 0.00 O ATOM 886 OE2 GLU A 55 -5.713 3.232 7.635 1.00 0.00 O ATOM 0 H GLU A 55 -2.924 -0.437 8.904 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.784 2.080 8.373 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.666 1.366 10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.504 2.916 9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.129 1.310 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.984 0.486 9.004 1.00 0.00 H new ATOM 893 N LEU A 56 -0.295 2.757 10.241 1.00 0.00 N ATOM 894 CA LEU A 56 0.704 3.084 11.251 1.00 0.00 C ATOM 895 C LEU A 56 0.214 4.207 12.159 1.00 0.00 C ATOM 896 O LEU A 56 -0.031 5.325 11.705 1.00 0.00 O ATOM 897 CB LEU A 56 2.019 3.490 10.583 1.00 0.00 C ATOM 898 CG LEU A 56 1.932 4.718 9.674 1.00 0.00 C ATOM 899 CD1 LEU A 56 2.313 5.976 10.438 1.00 0.00 C ATOM 900 CD2 LEU A 56 2.824 4.543 8.453 1.00 0.00 C ATOM 0 H LEU A 56 -0.348 3.422 9.469 1.00 0.00 H new ATOM 0 HA LEU A 56 0.872 2.196 11.861 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.759 3.684 11.360 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.386 2.648 9.996 1.00 0.00 H new ATOM 0 HG LEU A 56 0.901 4.822 9.334 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.245 6.839 9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.633 6.111 11.279 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.334 5.882 10.808 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.749 5.426 7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.858 4.413 8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.505 3.665 7.892 1.00 0.00 H new