USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 396 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 14 ASN : amide:sc= -1.65 K(o=-1.7,f=-2.7) USER MOD Single : A 15 THR OG1 : rot 107:sc= 1.17 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0107) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0813 K(o=-0.081,f=-3.4!) USER MOD Single : A 31 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -2.56 F(o=-4.2,f=-2.6) USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= 1.9 (180deg=1.79) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.55) USER MOD Single : A 47 CYS SG : rot 74:sc= -0.881 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N TRP A 12 -7.795 -0.628 -8.843 1.00 0.00 N ATOM 119 CA TRP A 12 -6.576 0.057 -8.430 1.00 0.00 C ATOM 120 C TRP A 12 -5.776 0.523 -9.641 1.00 0.00 C ATOM 121 O TRP A 12 -5.679 -0.186 -10.643 1.00 0.00 O ATOM 122 CB TRP A 12 -5.719 -0.865 -7.561 1.00 0.00 C ATOM 123 CG TRP A 12 -6.087 -0.825 -6.109 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.133 -1.468 -5.511 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.413 -0.102 -5.073 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.149 -1.188 -4.165 1.00 0.00 N ATOM 127 CE2 TRP A 12 -6.104 -0.353 -3.872 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.291 0.732 -5.044 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.709 0.201 -2.657 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.901 1.281 -3.837 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.608 1.013 -2.657 1.00 0.00 C ATOM 0 HA TRP A 12 -6.861 0.933 -7.848 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.815 -1.888 -7.925 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.671 -0.585 -7.671 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.843 -2.103 -6.020 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.829 -1.544 -3.494 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.739 0.943 -5.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.253 -0.003 -1.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.037 1.928 -3.803 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.277 1.456 -1.729 1.00 0.00 H new ATOM 142 N ARG A 13 -5.205 1.719 -9.543 1.00 0.00 N ATOM 143 CA ARG A 13 -4.415 2.280 -10.632 1.00 0.00 C ATOM 144 C ARG A 13 -2.928 2.267 -10.288 1.00 0.00 C ATOM 145 O ARG A 13 -2.552 2.322 -9.118 1.00 0.00 O ATOM 146 CB ARG A 13 -4.866 3.710 -10.935 1.00 0.00 C ATOM 147 CG ARG A 13 -6.353 3.830 -11.228 1.00 0.00 C ATOM 148 CD ARG A 13 -6.648 5.015 -12.134 1.00 0.00 C ATOM 149 NE ARG A 13 -6.749 6.265 -11.385 1.00 0.00 N ATOM 150 CZ ARG A 13 -6.537 7.462 -11.921 1.00 0.00 C ATOM 151 NH1 ARG A 13 -6.215 7.570 -13.202 1.00 0.00 N ATOM 152 NH2 ARG A 13 -6.647 8.553 -11.174 1.00 0.00 N ATOM 0 H ARG A 13 -5.275 2.318 -8.720 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.572 1.662 -11.516 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.619 4.348 -10.086 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.304 4.086 -11.790 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.707 2.913 -11.699 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.902 3.940 -10.293 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.861 5.104 -12.883 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.580 4.838 -12.671 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.996 6.216 -10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.129 6.733 -13.779 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.053 8.490 -13.611 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.894 8.473 -10.188 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.484 9.472 -11.586 1.00 0.00 H new ATOM 166 N ASN A 14 -2.088 2.193 -11.315 1.00 0.00 N ATOM 167 CA ASN A 14 -0.643 2.171 -11.121 1.00 0.00 C ATOM 168 C ASN A 14 -0.232 3.109 -9.989 1.00 0.00 C ATOM 169 O ASN A 14 0.427 2.697 -9.034 1.00 0.00 O ATOM 170 CB ASN A 14 0.072 2.570 -12.413 1.00 0.00 C ATOM 171 CG ASN A 14 -0.430 3.888 -12.969 1.00 0.00 C ATOM 172 OD1 ASN A 14 -1.546 3.975 -13.480 1.00 0.00 O ATOM 173 ND2 ASN A 14 0.396 4.924 -12.871 1.00 0.00 N ATOM 0 H ASN A 14 -2.383 2.147 -12.290 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.353 1.155 -10.852 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.143 2.643 -12.224 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.068 1.787 -13.159 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.113 5.837 -13.227 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.313 4.806 -12.439 1.00 0.00 H new ATOM 180 N THR A 15 -0.627 4.373 -10.103 1.00 0.00 N ATOM 181 CA THR A 15 -0.300 5.370 -9.091 1.00 0.00 C ATOM 182 C THR A 15 -0.676 4.882 -7.697 1.00 0.00 C ATOM 183 O THR A 15 0.192 4.639 -6.859 1.00 0.00 O ATOM 184 CB THR A 15 -1.016 6.706 -9.366 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.380 6.465 -9.727 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.319 7.474 -10.479 1.00 0.00 C ATOM 0 H THR A 15 -1.174 4.731 -10.886 1.00 0.00 H new ATOM 0 HA THR A 15 0.777 5.528 -9.139 1.00 0.00 H new ATOM 0 HB THR A 15 -0.982 7.306 -8.456 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.966 6.727 -8.986 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.842 8.414 -10.656 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.711 7.681 -10.188 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.326 6.878 -11.392 1.00 0.00 H new ATOM 194 N GLU A 16 -1.976 4.740 -7.456 1.00 0.00 N ATOM 195 CA GLU A 16 -2.466 4.281 -6.162 1.00 0.00 C ATOM 196 C GLU A 16 -1.570 3.182 -5.599 1.00 0.00 C ATOM 197 O GLU A 16 -1.286 3.149 -4.401 1.00 0.00 O ATOM 198 CB GLU A 16 -3.902 3.768 -6.288 1.00 0.00 C ATOM 199 CG GLU A 16 -4.821 4.712 -7.045 1.00 0.00 C ATOM 200 CD GLU A 16 -4.414 6.165 -6.899 1.00 0.00 C ATOM 201 OE1 GLU A 16 -4.087 6.579 -5.767 1.00 0.00 O ATOM 202 OE2 GLU A 16 -4.421 6.888 -7.918 1.00 0.00 O ATOM 0 H GLU A 16 -2.708 4.936 -8.139 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.449 5.127 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.891 2.802 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.308 3.601 -5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.821 4.443 -8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.842 4.587 -6.684 1.00 0.00 H new ATOM 209 N ASP A 17 -1.128 2.283 -6.472 1.00 0.00 N ATOM 210 CA ASP A 17 -0.263 1.182 -6.063 1.00 0.00 C ATOM 211 C ASP A 17 1.123 1.693 -5.681 1.00 0.00 C ATOM 212 O ASP A 17 1.685 1.286 -4.665 1.00 0.00 O ATOM 213 CB ASP A 17 -0.148 0.152 -7.188 1.00 0.00 C ATOM 214 CG ASP A 17 -1.293 -0.842 -7.182 1.00 0.00 C ATOM 215 OD1 ASP A 17 -1.564 -1.430 -6.113 1.00 0.00 O ATOM 216 OD2 ASP A 17 -1.920 -1.030 -8.245 1.00 0.00 O ATOM 0 H ASP A 17 -1.354 2.295 -7.467 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.709 0.707 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.124 0.668 -8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.796 -0.385 -7.090 1.00 0.00 H new ATOM 221 N GLU A 18 1.667 2.584 -6.503 1.00 0.00 N ATOM 222 CA GLU A 18 2.988 3.148 -6.251 1.00 0.00 C ATOM 223 C GLU A 18 3.031 3.850 -4.896 1.00 0.00 C ATOM 224 O GLU A 18 3.955 3.645 -4.109 1.00 0.00 O ATOM 225 CB GLU A 18 3.367 4.132 -7.360 1.00 0.00 C ATOM 226 CG GLU A 18 3.473 3.491 -8.733 1.00 0.00 C ATOM 227 CD GLU A 18 3.530 4.513 -9.851 1.00 0.00 C ATOM 228 OE1 GLU A 18 2.890 5.577 -9.716 1.00 0.00 O ATOM 229 OE2 GLU A 18 4.214 4.249 -10.862 1.00 0.00 O ATOM 0 H GLU A 18 1.214 2.931 -7.349 1.00 0.00 H new ATOM 0 HA GLU A 18 3.708 2.330 -6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.624 4.929 -7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.321 4.597 -7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.366 2.867 -8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.618 2.834 -8.890 1.00 0.00 H new ATOM 236 N ILE A 19 2.025 4.677 -4.633 1.00 0.00 N ATOM 237 CA ILE A 19 1.947 5.408 -3.375 1.00 0.00 C ATOM 238 C ILE A 19 1.866 4.454 -2.189 1.00 0.00 C ATOM 239 O ILE A 19 2.587 4.609 -1.202 1.00 0.00 O ATOM 240 CB ILE A 19 0.730 6.351 -3.346 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.766 7.304 -4.542 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.696 7.132 -2.041 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.602 7.776 -4.981 1.00 0.00 C ATOM 0 H ILE A 19 1.253 4.857 -5.274 1.00 0.00 H new ATOM 0 HA ILE A 19 2.858 6.002 -3.298 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.177 5.750 -3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.376 8.171 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.255 6.805 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.170 7.794 -2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.627 6.438 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.606 7.724 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.499 8.448 -5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.209 6.917 -5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.086 8.304 -4.159 1.00 0.00 H new ATOM 255 N LEU A 20 0.984 3.465 -2.292 1.00 0.00 N ATOM 256 CA LEU A 20 0.809 2.482 -1.228 1.00 0.00 C ATOM 257 C LEU A 20 2.113 1.740 -0.952 1.00 0.00 C ATOM 258 O LEU A 20 2.679 1.841 0.137 1.00 0.00 O ATOM 259 CB LEU A 20 -0.289 1.486 -1.603 1.00 0.00 C ATOM 260 CG LEU A 20 -0.533 0.350 -0.608 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.258 0.868 0.625 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.326 -0.771 -1.263 1.00 0.00 C ATOM 0 H LEU A 20 0.379 3.323 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 20 0.516 3.012 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.221 2.035 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.040 1.048 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 20 0.432 -0.049 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.423 0.046 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.653 1.636 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.218 1.293 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.490 -1.571 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.287 -0.386 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.769 -1.161 -2.115 1.00 0.00 H new ATOM 274 N LYS A 21 2.586 0.996 -1.946 1.00 0.00 N ATOM 275 CA LYS A 21 3.825 0.239 -1.813 1.00 0.00 C ATOM 276 C LYS A 21 4.888 1.058 -1.087 1.00 0.00 C ATOM 277 O LYS A 21 5.477 0.600 -0.108 1.00 0.00 O ATOM 278 CB LYS A 21 4.342 -0.178 -3.191 1.00 0.00 C ATOM 279 CG LYS A 21 3.467 -1.210 -3.882 1.00 0.00 C ATOM 280 CD LYS A 21 4.011 -1.575 -5.253 1.00 0.00 C ATOM 281 CE LYS A 21 3.748 -0.473 -6.268 1.00 0.00 C ATOM 282 NZ LYS A 21 3.764 -0.989 -7.665 1.00 0.00 N ATOM 0 H LYS A 21 2.130 0.901 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 21 3.614 -0.654 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.416 0.706 -3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.350 -0.580 -3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.403 -2.106 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.454 -0.820 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.083 -1.759 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.550 -2.502 -5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.782 -0.013 -6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.502 0.307 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.581 -0.207 -8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.695 -1.405 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.028 -1.715 -7.775 1.00 0.00 H new ATOM 296 N ALA A 22 5.126 2.272 -1.571 1.00 0.00 N ATOM 297 CA ALA A 22 6.115 3.156 -0.966 1.00 0.00 C ATOM 298 C ALA A 22 5.734 3.505 0.468 1.00 0.00 C ATOM 299 O ALA A 22 6.475 3.213 1.406 1.00 0.00 O ATOM 300 CB ALA A 22 6.270 4.422 -1.796 1.00 0.00 C ATOM 0 H ALA A 22 4.647 2.666 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 22 7.070 2.631 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.012 5.073 -1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.596 4.160 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.313 4.942 -1.849 1.00 0.00 H new ATOM 306 N ALA A 23 4.574 4.132 0.632 1.00 0.00 N ATOM 307 CA ALA A 23 4.094 4.520 1.952 1.00 0.00 C ATOM 308 C ALA A 23 4.327 3.408 2.969 1.00 0.00 C ATOM 309 O ALA A 23 4.932 3.629 4.019 1.00 0.00 O ATOM 310 CB ALA A 23 2.618 4.882 1.892 1.00 0.00 C ATOM 0 H ALA A 23 3.949 4.382 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 23 4.658 5.395 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.273 5.170 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.475 5.714 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.046 4.021 1.545 1.00 0.00 H new ATOM 316 N VAL A 24 3.843 2.211 2.652 1.00 0.00 N ATOM 317 CA VAL A 24 3.999 1.064 3.539 1.00 0.00 C ATOM 318 C VAL A 24 5.448 0.907 3.985 1.00 0.00 C ATOM 319 O VAL A 24 5.721 0.437 5.089 1.00 0.00 O ATOM 320 CB VAL A 24 3.540 -0.239 2.857 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.654 -1.413 3.817 1.00 0.00 C ATOM 322 CG2 VAL A 24 2.115 -0.097 2.342 1.00 0.00 C ATOM 0 H VAL A 24 3.340 2.010 1.788 1.00 0.00 H new ATOM 0 HA VAL A 24 3.372 1.250 4.411 1.00 0.00 H new ATOM 0 HB VAL A 24 4.192 -0.432 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.325 -2.325 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.691 -1.526 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.027 -1.231 4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.807 -1.026 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.447 0.121 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.069 0.717 1.618 1.00 0.00 H new ATOM 332 N MET A 25 6.374 1.306 3.119 1.00 0.00 N ATOM 333 CA MET A 25 7.797 1.211 3.425 1.00 0.00 C ATOM 334 C MET A 25 8.244 2.380 4.298 1.00 0.00 C ATOM 335 O MET A 25 9.199 2.264 5.067 1.00 0.00 O ATOM 336 CB MET A 25 8.617 1.180 2.134 1.00 0.00 C ATOM 337 CG MET A 25 8.348 -0.043 1.272 1.00 0.00 C ATOM 338 SD MET A 25 9.374 -1.453 1.728 1.00 0.00 S ATOM 339 CE MET A 25 8.407 -2.805 1.060 1.00 0.00 C ATOM 0 H MET A 25 6.165 1.698 2.201 1.00 0.00 H new ATOM 0 HA MET A 25 7.964 0.285 3.975 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.401 2.077 1.554 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.677 1.211 2.386 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.297 -0.320 1.359 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.526 0.208 0.226 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.913 -3.749 1.263 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.422 -2.813 1.527 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.297 -2.676 -0.017 1.00 0.00 H new ATOM 349 N LYS A 26 7.549 3.505 4.174 1.00 0.00 N ATOM 350 CA LYS A 26 7.873 4.695 4.951 1.00 0.00 C ATOM 351 C LYS A 26 7.108 4.708 6.271 1.00 0.00 C ATOM 352 O LYS A 26 7.705 4.651 7.346 1.00 0.00 O ATOM 353 CB LYS A 26 7.548 5.957 4.149 1.00 0.00 C ATOM 354 CG LYS A 26 7.657 7.237 4.960 1.00 0.00 C ATOM 355 CD LYS A 26 7.065 8.422 4.214 1.00 0.00 C ATOM 356 CE LYS A 26 7.392 9.736 4.906 1.00 0.00 C ATOM 357 NZ LYS A 26 8.801 10.155 4.665 1.00 0.00 N ATOM 0 H LYS A 26 6.757 3.618 3.542 1.00 0.00 H new ATOM 0 HA LYS A 26 8.941 4.676 5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.223 6.019 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.537 5.874 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.141 7.111 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.704 7.436 5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.450 8.441 3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.983 8.306 4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.716 10.513 4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.222 9.634 5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.965 11.087 5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.447 9.459 5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.976 10.212 3.641 1.00 0.00 H new ATOM 371 N TYR A 27 5.785 4.781 6.182 1.00 0.00 N ATOM 372 CA TYR A 27 4.939 4.802 7.369 1.00 0.00 C ATOM 373 C TYR A 27 4.921 3.436 8.050 1.00 0.00 C ATOM 374 O TYR A 27 4.790 3.339 9.269 1.00 0.00 O ATOM 375 CB TYR A 27 3.514 5.218 6.999 1.00 0.00 C ATOM 376 CG TYR A 27 3.447 6.494 6.190 1.00 0.00 C ATOM 377 CD1 TYR A 27 3.594 6.473 4.809 1.00 0.00 C ATOM 378 CD2 TYR A 27 3.234 7.720 6.808 1.00 0.00 C ATOM 379 CE1 TYR A 27 3.534 7.636 4.067 1.00 0.00 C ATOM 380 CE2 TYR A 27 3.171 8.888 6.073 1.00 0.00 C ATOM 381 CZ TYR A 27 3.322 8.841 4.703 1.00 0.00 C ATOM 382 OH TYR A 27 3.261 10.002 3.967 1.00 0.00 O ATOM 0 H TYR A 27 5.275 4.827 5.300 1.00 0.00 H new ATOM 0 HA TYR A 27 5.354 5.530 8.066 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.045 4.413 6.433 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.933 5.346 7.912 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.758 5.531 4.307 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.116 7.761 7.881 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.653 7.602 2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.004 9.833 6.569 1.00 0.00 H new ATOM 0 HH TYR A 27 3.105 10.761 4.566 1.00 0.00 H new ATOM 392 N GLY A 28 5.055 2.382 7.250 1.00 0.00 N ATOM 393 CA GLY A 28 5.053 1.036 7.792 1.00 0.00 C ATOM 394 C GLY A 28 3.720 0.338 7.606 1.00 0.00 C ATOM 395 O GLY A 28 2.736 0.960 7.202 1.00 0.00 O ATOM 0 H GLY A 28 5.165 2.437 6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.836 0.452 7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.294 1.075 8.854 1.00 0.00 H new ATOM 399 N LYS A 29 3.685 -0.957 7.900 1.00 0.00 N ATOM 400 CA LYS A 29 2.463 -1.741 7.763 1.00 0.00 C ATOM 401 C LYS A 29 1.592 -1.612 9.009 1.00 0.00 C ATOM 402 O LYS A 29 0.689 -2.417 9.232 1.00 0.00 O ATOM 403 CB LYS A 29 2.802 -3.212 7.515 1.00 0.00 C ATOM 404 CG LYS A 29 3.473 -3.464 6.175 1.00 0.00 C ATOM 405 CD LYS A 29 4.142 -4.827 6.134 1.00 0.00 C ATOM 406 CE LYS A 29 5.221 -4.887 5.064 1.00 0.00 C ATOM 407 NZ LYS A 29 6.492 -4.262 5.522 1.00 0.00 N ATOM 0 H LYS A 29 4.490 -1.487 8.235 1.00 0.00 H new ATOM 0 HA LYS A 29 1.906 -1.354 6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.457 -3.565 8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.887 -3.801 7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.732 -3.397 5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.215 -2.688 5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.581 -5.047 7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.393 -5.595 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.405 -5.926 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.870 -4.379 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.202 -4.323 4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.323 -3.263 5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.841 -4.762 6.364 1.00 0.00 H new ATOM 421 N ASN A 30 1.870 -0.594 9.817 1.00 0.00 N ATOM 422 CA ASN A 30 1.111 -0.361 11.040 1.00 0.00 C ATOM 423 C ASN A 30 0.369 0.971 10.974 1.00 0.00 C ATOM 424 O ASN A 30 -0.454 1.277 11.836 1.00 0.00 O ATOM 425 CB ASN A 30 2.041 -0.379 12.255 1.00 0.00 C ATOM 426 CG ASN A 30 3.239 0.534 12.079 1.00 0.00 C ATOM 427 OD1 ASN A 30 3.997 0.404 11.118 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.415 1.465 13.010 1.00 0.00 N ATOM 0 H ASN A 30 2.615 0.082 9.647 1.00 0.00 H new ATOM 0 HA ASN A 30 0.378 -1.161 11.140 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.483 -0.075 13.141 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.387 -1.398 12.430 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.204 2.108 12.945 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.761 1.536 13.790 1.00 0.00 H new ATOM 435 N GLN A 31 0.668 1.758 9.945 1.00 0.00 N ATOM 436 CA GLN A 31 0.030 3.057 9.767 1.00 0.00 C ATOM 437 C GLN A 31 -0.949 3.026 8.598 1.00 0.00 C ATOM 438 O GLN A 31 -1.111 4.018 7.886 1.00 0.00 O ATOM 439 CB GLN A 31 1.085 4.140 9.536 1.00 0.00 C ATOM 440 CG GLN A 31 2.111 4.238 10.654 1.00 0.00 C ATOM 441 CD GLN A 31 2.655 5.643 10.825 1.00 0.00 C ATOM 442 OE1 GLN A 31 2.022 6.494 11.450 1.00 0.00 O ATOM 443 NE2 GLN A 31 3.835 5.893 10.268 1.00 0.00 N ATOM 0 H GLN A 31 1.347 1.519 9.223 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.525 3.289 10.676 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.601 3.939 8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.587 5.103 9.426 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.656 3.912 11.589 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.935 3.556 10.446 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.325 5.157 9.759 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.251 6.821 10.350 1.00 0.00 H new ATOM 452 N TRP A 32 -1.598 1.884 8.406 1.00 0.00 N ATOM 453 CA TRP A 32 -2.561 1.725 7.322 1.00 0.00 C ATOM 454 C TRP A 32 -3.566 2.871 7.315 1.00 0.00 C ATOM 455 O TRP A 32 -3.799 3.498 6.281 1.00 0.00 O ATOM 456 CB TRP A 32 -3.293 0.388 7.455 1.00 0.00 C ATOM 457 CG TRP A 32 -2.402 -0.800 7.254 1.00 0.00 C ATOM 458 CD1 TRP A 32 -2.171 -1.811 8.142 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.623 -1.099 6.091 1.00 0.00 C ATOM 460 NE1 TRP A 32 -1.295 -2.721 7.601 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.944 -2.307 6.343 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.434 -0.465 4.860 1.00 0.00 C ATOM 463 CZ2 TRP A 32 -0.091 -2.891 5.411 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.586 -1.045 3.935 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.076 -2.248 4.214 1.00 0.00 C ATOM 0 H TRP A 32 -1.475 1.054 8.986 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.015 1.740 6.379 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.749 0.328 8.443 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.104 0.352 6.728 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.612 -1.885 9.125 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.960 -3.567 8.061 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.941 0.462 4.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.421 -3.818 5.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.431 -0.563 2.981 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.731 -2.677 3.470 1.00 0.00 H new ATOM 476 N SER A 33 -4.159 3.140 8.474 1.00 0.00 N ATOM 477 CA SER A 33 -5.143 4.209 8.599 1.00 0.00 C ATOM 478 C SER A 33 -4.604 5.513 8.018 1.00 0.00 C ATOM 479 O SER A 33 -5.348 6.296 7.427 1.00 0.00 O ATOM 480 CB SER A 33 -5.524 4.411 10.067 1.00 0.00 C ATOM 481 OG SER A 33 -6.828 4.954 10.185 1.00 0.00 O ATOM 0 H SER A 33 -3.975 2.633 9.340 1.00 0.00 H new ATOM 0 HA SER A 33 -6.031 3.920 8.037 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.474 3.458 10.593 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.805 5.077 10.544 1.00 0.00 H new ATOM 0 HG SER A 33 -7.049 5.072 11.133 1.00 0.00 H new ATOM 487 N ARG A 34 -3.306 5.739 8.191 1.00 0.00 N ATOM 488 CA ARG A 34 -2.667 6.948 7.686 1.00 0.00 C ATOM 489 C ARG A 34 -2.391 6.833 6.189 1.00 0.00 C ATOM 490 O ARG A 34 -2.623 7.775 5.431 1.00 0.00 O ATOM 491 CB ARG A 34 -1.361 7.213 8.437 1.00 0.00 C ATOM 492 CG ARG A 34 -0.919 8.666 8.398 1.00 0.00 C ATOM 493 CD ARG A 34 0.500 8.831 8.919 1.00 0.00 C ATOM 494 NE ARG A 34 0.791 10.215 9.286 1.00 0.00 N ATOM 495 CZ ARG A 34 0.481 10.743 10.464 1.00 0.00 C ATOM 496 NH1 ARG A 34 -0.126 10.007 11.386 1.00 0.00 N ATOM 497 NH2 ARG A 34 0.779 12.010 10.724 1.00 0.00 N ATOM 0 H ARG A 34 -2.676 5.101 8.677 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.348 7.783 7.850 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.481 6.907 9.476 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.574 6.591 8.010 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.978 9.038 7.375 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.600 9.271 8.997 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.645 8.188 9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.207 8.502 8.157 1.00 0.00 H new ATOM 0 HE ARG A 34 1.258 10.808 8.600 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.356 9.033 11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.363 10.416 12.290 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.247 12.579 10.018 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.540 12.415 11.629 1.00 0.00 H new ATOM 511 N ILE A 35 -1.894 5.673 5.773 1.00 0.00 N ATOM 512 CA ILE A 35 -1.588 5.435 4.368 1.00 0.00 C ATOM 513 C ILE A 35 -2.818 5.649 3.492 1.00 0.00 C ATOM 514 O ILE A 35 -2.738 6.269 2.433 1.00 0.00 O ATOM 515 CB ILE A 35 -1.053 4.008 4.142 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.309 3.838 4.819 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.951 3.710 2.654 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.652 2.398 5.133 1.00 0.00 C ATOM 0 H ILE A 35 -1.695 4.884 6.388 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.817 6.153 4.088 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.751 3.299 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.082 4.254 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.321 4.416 5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.572 2.698 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.937 3.796 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.271 4.422 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.630 2.353 5.611 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.100 1.983 5.804 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.673 1.819 4.210 1.00 0.00 H new ATOM 530 N ALA A 36 -3.956 5.132 3.944 1.00 0.00 N ATOM 531 CA ALA A 36 -5.204 5.269 3.205 1.00 0.00 C ATOM 532 C ALA A 36 -5.489 6.730 2.876 1.00 0.00 C ATOM 533 O ALA A 36 -5.928 7.054 1.772 1.00 0.00 O ATOM 534 CB ALA A 36 -6.356 4.670 3.998 1.00 0.00 C ATOM 0 H ALA A 36 -4.039 4.614 4.819 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.103 4.725 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.282 4.780 3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.163 3.612 4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.449 5.188 4.952 1.00 0.00 H new ATOM 540 N SER A 37 -5.239 7.609 3.841 1.00 0.00 N ATOM 541 CA SER A 37 -5.473 9.036 3.654 1.00 0.00 C ATOM 542 C SER A 37 -4.735 9.552 2.422 1.00 0.00 C ATOM 543 O SER A 37 -5.252 10.388 1.679 1.00 0.00 O ATOM 544 CB SER A 37 -5.025 9.814 4.893 1.00 0.00 C ATOM 545 OG SER A 37 -5.562 11.126 4.894 1.00 0.00 O ATOM 0 H SER A 37 -4.875 7.358 4.760 1.00 0.00 H new ATOM 0 HA SER A 37 -6.542 9.187 3.505 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.344 9.287 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.936 9.863 4.921 1.00 0.00 H new ATOM 0 HG SER A 37 -5.262 11.602 5.697 1.00 0.00 H new ATOM 551 N LEU A 38 -3.525 9.047 2.211 1.00 0.00 N ATOM 552 CA LEU A 38 -2.714 9.455 1.069 1.00 0.00 C ATOM 553 C LEU A 38 -3.444 9.181 -0.242 1.00 0.00 C ATOM 554 O LEU A 38 -3.427 10.005 -1.158 1.00 0.00 O ATOM 555 CB LEU A 38 -1.372 8.721 1.083 1.00 0.00 C ATOM 556 CG LEU A 38 -0.582 8.790 2.390 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.497 7.719 2.419 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.029 10.172 2.571 1.00 0.00 C ATOM 0 H LEU A 38 -3.083 8.354 2.816 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.535 10.527 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.552 7.672 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.751 9.127 0.285 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.268 8.607 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.049 7.784 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.035 6.735 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.181 7.869 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.588 10.203 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.701 10.384 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.764 10.920 2.597 1.00 0.00 H new ATOM 570 N LEU A 39 -4.085 8.021 -0.325 1.00 0.00 N ATOM 571 CA LEU A 39 -4.823 7.638 -1.524 1.00 0.00 C ATOM 572 C LEU A 39 -6.260 8.147 -1.464 1.00 0.00 C ATOM 573 O LEU A 39 -6.848 8.252 -0.387 1.00 0.00 O ATOM 574 CB LEU A 39 -4.815 6.118 -1.688 1.00 0.00 C ATOM 575 CG LEU A 39 -3.451 5.437 -1.568 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.612 3.995 -1.111 1.00 0.00 C ATOM 577 CD2 LEU A 39 -2.706 5.498 -2.894 1.00 0.00 C ATOM 0 H LEU A 39 -4.109 7.329 0.424 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.331 8.092 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.480 5.688 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.235 5.876 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.865 5.970 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.631 3.527 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.104 3.974 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.217 3.449 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.738 5.009 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.289 4.990 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.558 6.539 -3.180 1.00 0.00 H new ATOM 589 N HIS A 40 -6.821 8.460 -2.627 1.00 0.00 N ATOM 590 CA HIS A 40 -8.190 8.955 -2.708 1.00 0.00 C ATOM 591 C HIS A 40 -9.178 7.800 -2.844 1.00 0.00 C ATOM 592 O HIS A 40 -8.990 6.903 -3.667 1.00 0.00 O ATOM 593 CB HIS A 40 -8.340 9.912 -3.890 1.00 0.00 C ATOM 594 CG HIS A 40 -9.750 10.364 -4.120 1.00 0.00 C ATOM 595 ND1 HIS A 40 -10.764 10.578 -3.249 1.00 0.00 N flip ATOM 596 CD2 HIS A 40 -10.254 10.651 -5.371 1.00 0.00 C flip ATOM 597 CE1 HIS A 40 -11.851 10.986 -3.982 1.00 0.00 C flip ATOM 598 NE2 HIS A 40 -11.517 11.022 -5.259 1.00 0.00 N flip ATOM 0 H HIS A 40 -6.348 8.380 -3.527 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.411 9.492 -1.786 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.710 10.785 -3.722 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.972 9.423 -4.792 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.703 10.583 -6.297 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.821 11.237 -3.580 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.130 11.291 -6.029 1.00 0.00 H new ATOM 607 N ARG A 41 -10.230 7.829 -2.032 1.00 0.00 N ATOM 608 CA ARG A 41 -11.246 6.783 -2.061 1.00 0.00 C ATOM 609 C ARG A 41 -10.669 5.451 -1.593 1.00 0.00 C ATOM 610 O ARG A 41 -10.934 4.404 -2.185 1.00 0.00 O ATOM 611 CB ARG A 41 -11.817 6.636 -3.473 1.00 0.00 C ATOM 612 CG ARG A 41 -12.340 7.939 -4.057 1.00 0.00 C ATOM 613 CD ARG A 41 -13.481 7.693 -5.031 1.00 0.00 C ATOM 614 NE ARG A 41 -13.040 6.970 -6.221 1.00 0.00 N ATOM 615 CZ ARG A 41 -12.494 7.558 -7.279 1.00 0.00 C ATOM 616 NH1 ARG A 41 -12.323 8.873 -7.295 1.00 0.00 N ATOM 617 NH2 ARG A 41 -12.117 6.832 -8.323 1.00 0.00 N ATOM 0 H ARG A 41 -10.401 8.565 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.047 7.071 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.043 6.238 -4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.626 5.905 -3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.681 8.589 -3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.531 8.461 -4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.267 7.125 -4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.916 8.647 -5.327 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.158 5.957 -6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.611 9.435 -6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.903 9.323 -8.109 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.246 5.820 -8.314 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.698 7.285 -9.135 1.00 0.00 H new ATOM 631 N LYS A 42 -9.877 5.497 -0.528 1.00 0.00 N ATOM 632 CA LYS A 42 -9.261 4.294 0.021 1.00 0.00 C ATOM 633 C LYS A 42 -9.240 4.342 1.546 1.00 0.00 C ATOM 634 O LYS A 42 -9.249 5.418 2.143 1.00 0.00 O ATOM 635 CB LYS A 42 -7.837 4.135 -0.515 1.00 0.00 C ATOM 636 CG LYS A 42 -7.760 4.078 -2.031 1.00 0.00 C ATOM 637 CD LYS A 42 -8.169 2.714 -2.559 1.00 0.00 C ATOM 638 CE LYS A 42 -8.230 2.700 -4.079 1.00 0.00 C ATOM 639 NZ LYS A 42 -6.872 2.683 -4.689 1.00 0.00 N ATOM 0 H LYS A 42 -9.646 6.355 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.857 3.436 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.229 4.967 -0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.402 3.224 -0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.408 4.844 -2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.744 4.304 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.459 1.962 -2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.143 2.442 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.788 1.825 -4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.774 3.577 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.941 2.928 -5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.266 3.376 -4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.459 1.733 -4.591 1.00 0.00 H new ATOM 653 N SER A 43 -9.209 3.168 2.169 1.00 0.00 N ATOM 654 CA SER A 43 -9.189 3.076 3.625 1.00 0.00 C ATOM 655 C SER A 43 -8.258 1.959 4.085 1.00 0.00 C ATOM 656 O SER A 43 -7.949 1.041 3.326 1.00 0.00 O ATOM 657 CB SER A 43 -10.600 2.833 4.162 1.00 0.00 C ATOM 658 OG SER A 43 -11.405 3.991 4.023 1.00 0.00 O ATOM 0 H SER A 43 -9.197 2.268 1.689 1.00 0.00 H new ATOM 0 HA SER A 43 -8.817 4.022 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.058 2.001 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.548 2.546 5.212 1.00 0.00 H new ATOM 0 HG SER A 43 -12.303 3.809 4.372 1.00 0.00 H new ATOM 664 N ALA A 44 -7.814 2.044 5.335 1.00 0.00 N ATOM 665 CA ALA A 44 -6.921 1.040 5.899 1.00 0.00 C ATOM 666 C ALA A 44 -7.303 -0.360 5.431 1.00 0.00 C ATOM 667 O ALA A 44 -6.442 -1.165 5.075 1.00 0.00 O ATOM 668 CB ALA A 44 -6.936 1.113 7.418 1.00 0.00 C ATOM 0 H ALA A 44 -8.059 2.799 5.976 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.911 1.250 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.264 0.357 7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.607 2.102 7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.948 0.933 7.781 1.00 0.00 H new ATOM 674 N LYS A 45 -8.601 -0.646 5.434 1.00 0.00 N ATOM 675 CA LYS A 45 -9.099 -1.949 5.009 1.00 0.00 C ATOM 676 C LYS A 45 -8.592 -2.297 3.613 1.00 0.00 C ATOM 677 O LYS A 45 -7.959 -3.333 3.413 1.00 0.00 O ATOM 678 CB LYS A 45 -10.629 -1.964 5.026 1.00 0.00 C ATOM 679 CG LYS A 45 -11.225 -3.359 4.971 1.00 0.00 C ATOM 680 CD LYS A 45 -11.393 -3.837 3.538 1.00 0.00 C ATOM 681 CE LYS A 45 -11.311 -5.353 3.443 1.00 0.00 C ATOM 682 NZ LYS A 45 -12.494 -6.013 4.060 1.00 0.00 N ATOM 0 H LYS A 45 -9.327 0.008 5.726 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.727 -2.698 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.979 -1.464 5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.999 -1.387 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.582 -4.052 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.193 -3.362 5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.354 -3.499 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.621 -3.390 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.236 -5.648 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.403 -5.699 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.400 -7.045 3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.552 -5.753 5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.358 -5.703 3.572 1.00 0.00 H new ATOM 696 N GLN A 46 -8.874 -1.423 2.652 1.00 0.00 N ATOM 697 CA GLN A 46 -8.446 -1.638 1.275 1.00 0.00 C ATOM 698 C GLN A 46 -6.926 -1.720 1.184 1.00 0.00 C ATOM 699 O GLN A 46 -6.379 -2.646 0.584 1.00 0.00 O ATOM 700 CB GLN A 46 -8.963 -0.514 0.376 1.00 0.00 C ATOM 701 CG GLN A 46 -10.402 -0.707 -0.073 1.00 0.00 C ATOM 702 CD GLN A 46 -10.709 -2.143 -0.449 1.00 0.00 C ATOM 703 OE1 GLN A 46 -11.381 -2.861 0.293 1.00 0.00 O ATOM 704 NE2 GLN A 46 -10.217 -2.571 -1.605 1.00 0.00 N ATOM 0 H GLN A 46 -9.397 -0.560 2.802 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.864 -2.586 0.935 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.882 0.433 0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.324 -0.440 -0.504 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.073 -0.394 0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.601 -0.061 -0.928 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.665 -1.942 -2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.391 -3.529 -1.910 1.00 0.00 H new ATOM 713 N CYS A 47 -6.249 -0.746 1.782 1.00 0.00 N ATOM 714 CA CYS A 47 -4.791 -0.707 1.768 1.00 0.00 C ATOM 715 C CYS A 47 -4.207 -2.028 2.256 1.00 0.00 C ATOM 716 O CYS A 47 -3.258 -2.553 1.673 1.00 0.00 O ATOM 717 CB CYS A 47 -4.283 0.442 2.640 1.00 0.00 C ATOM 718 SG CYS A 47 -4.732 2.085 2.032 1.00 0.00 S ATOM 0 H CYS A 47 -6.687 0.027 2.283 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.466 -0.545 0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.677 0.320 3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.197 0.377 2.712 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.993 2.303 2.260 1.00 0.00 H new ATOM 724 N LYS A 48 -4.780 -2.562 3.329 1.00 0.00 N ATOM 725 CA LYS A 48 -4.317 -3.822 3.897 1.00 0.00 C ATOM 726 C LYS A 48 -4.642 -4.989 2.970 1.00 0.00 C ATOM 727 O LYS A 48 -3.827 -5.893 2.786 1.00 0.00 O ATOM 728 CB LYS A 48 -4.957 -4.053 5.268 1.00 0.00 C ATOM 729 CG LYS A 48 -4.198 -5.043 6.135 1.00 0.00 C ATOM 730 CD LYS A 48 -4.392 -4.752 7.614 1.00 0.00 C ATOM 731 CE LYS A 48 -3.290 -5.378 8.454 1.00 0.00 C ATOM 732 NZ LYS A 48 -3.596 -6.793 8.805 1.00 0.00 N ATOM 0 H LYS A 48 -5.567 -2.141 3.823 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.235 -3.763 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.025 -3.100 5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.976 -4.413 5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.537 -6.055 5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.136 -5.002 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.406 -3.674 7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.360 -5.135 7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.348 -5.335 7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.156 -4.798 9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.821 -7.184 9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.482 -6.832 9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.699 -7.352 7.934 1.00 0.00 H new ATOM 746 N ALA A 49 -5.836 -4.961 2.387 1.00 0.00 N ATOM 747 CA ALA A 49 -6.266 -6.014 1.475 1.00 0.00 C ATOM 748 C ALA A 49 -5.440 -6.002 0.193 1.00 0.00 C ATOM 749 O ALA A 49 -4.703 -6.946 -0.091 1.00 0.00 O ATOM 750 CB ALA A 49 -7.745 -5.863 1.154 1.00 0.00 C ATOM 0 H ALA A 49 -6.523 -4.221 2.530 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.109 -6.973 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.052 -6.656 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.326 -5.930 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.919 -4.894 0.686 1.00 0.00 H new ATOM 756 N ARG A 50 -5.569 -4.927 -0.577 1.00 0.00 N ATOM 757 CA ARG A 50 -4.836 -4.793 -1.831 1.00 0.00 C ATOM 758 C ARG A 50 -3.371 -5.178 -1.647 1.00 0.00 C ATOM 759 O ARG A 50 -2.769 -5.803 -2.520 1.00 0.00 O ATOM 760 CB ARG A 50 -4.936 -3.359 -2.354 1.00 0.00 C ATOM 761 CG ARG A 50 -3.955 -3.049 -3.473 1.00 0.00 C ATOM 762 CD ARG A 50 -4.103 -4.025 -4.630 1.00 0.00 C ATOM 763 NE ARG A 50 -3.570 -3.481 -5.876 1.00 0.00 N ATOM 764 CZ ARG A 50 -3.957 -3.888 -7.080 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.876 -4.837 -7.200 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.426 -3.345 -8.168 1.00 0.00 N ATOM 0 H ARG A 50 -6.174 -4.136 -0.355 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.283 -5.470 -2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.950 -3.182 -2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.764 -2.668 -1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.118 -2.032 -3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.936 -3.092 -3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.586 -4.954 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.156 -4.272 -4.763 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.862 -2.749 -5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.288 -5.257 -6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.171 -5.147 -8.126 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.720 -2.614 -8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.724 -3.658 -9.092 1.00 0.00 H new ATOM 780 N TRP A 51 -2.804 -4.800 -0.507 1.00 0.00 N ATOM 781 CA TRP A 51 -1.409 -5.105 -0.210 1.00 0.00 C ATOM 782 C TRP A 51 -1.193 -6.610 -0.097 1.00 0.00 C ATOM 783 O TRP A 51 -0.533 -7.217 -0.942 1.00 0.00 O ATOM 784 CB TRP A 51 -0.980 -4.417 1.088 1.00 0.00 C ATOM 785 CG TRP A 51 0.339 -4.901 1.609 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.543 -5.887 2.533 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.635 -4.421 1.238 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.889 -6.047 2.758 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.581 -5.161 1.976 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.090 -3.439 0.354 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.951 -4.947 1.855 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.451 -3.228 0.235 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.368 -3.980 0.982 1.00 0.00 C ATOM 0 H TRP A 51 -3.288 -4.282 0.226 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.798 -4.730 -1.031 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.923 -3.342 0.919 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.745 -4.581 1.847 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.238 -6.456 3.015 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.306 -6.718 3.404 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.391 -2.855 -0.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.660 -5.524 2.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.814 -2.471 -0.445 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.425 -3.792 0.866 1.00 0.00 H new ATOM 804 N TYR A 52 -1.752 -7.207 0.949 1.00 0.00 N ATOM 805 CA TYR A 52 -1.618 -8.642 1.172 1.00 0.00 C ATOM 806 C TYR A 52 -2.152 -9.431 -0.019 1.00 0.00 C ATOM 807 O TYR A 52 -1.803 -10.594 -0.213 1.00 0.00 O ATOM 808 CB TYR A 52 -2.362 -9.052 2.444 1.00 0.00 C ATOM 809 CG TYR A 52 -1.580 -8.794 3.713 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.468 -9.561 4.035 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.954 -7.781 4.588 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.249 -9.328 5.194 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.243 -7.540 5.747 1.00 0.00 C ATOM 814 CZ TYR A 52 -0.143 -8.317 6.046 1.00 0.00 C ATOM 815 OH TYR A 52 0.569 -8.081 7.200 1.00 0.00 O ATOM 0 H TYR A 52 -2.302 -6.720 1.656 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.558 -8.869 1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.307 -8.510 2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.605 -10.113 2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.158 -10.353 3.369 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.816 -7.172 4.358 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.111 -9.934 5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.546 -6.748 6.415 1.00 0.00 H new ATOM 0 HH TYR A 52 0.163 -7.334 7.688 1.00 0.00 H new ATOM 825 N GLU A 53 -3.000 -8.786 -0.815 1.00 0.00 N ATOM 826 CA GLU A 53 -3.583 -9.427 -1.988 1.00 0.00 C ATOM 827 C GLU A 53 -2.507 -9.756 -3.020 1.00 0.00 C ATOM 828 O GLU A 53 -2.341 -10.910 -3.413 1.00 0.00 O ATOM 829 CB GLU A 53 -4.647 -8.524 -2.615 1.00 0.00 C ATOM 830 CG GLU A 53 -6.044 -8.759 -2.066 1.00 0.00 C ATOM 831 CD GLU A 53 -7.128 -8.458 -3.083 1.00 0.00 C ATOM 832 OE1 GLU A 53 -6.883 -7.631 -3.985 1.00 0.00 O ATOM 833 OE2 GLU A 53 -8.223 -9.051 -2.975 1.00 0.00 O ATOM 0 H GLU A 53 -3.298 -7.821 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.051 -10.358 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.371 -7.483 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.658 -8.684 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.133 -9.796 -1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.194 -8.135 -1.185 1.00 0.00 H new ATOM 840 N TRP A 54 -1.780 -8.732 -3.453 1.00 0.00 N ATOM 841 CA TRP A 54 -0.721 -8.911 -4.439 1.00 0.00 C ATOM 842 C TRP A 54 0.590 -8.309 -3.945 1.00 0.00 C ATOM 843 O TRP A 54 1.656 -8.906 -4.100 1.00 0.00 O ATOM 844 CB TRP A 54 -1.121 -8.271 -5.770 1.00 0.00 C ATOM 845 CG TRP A 54 -2.590 -8.356 -6.051 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.489 -7.328 -6.031 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.331 -9.532 -6.393 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.744 -7.794 -6.340 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.674 -9.143 -6.567 1.00 0.00 C ATOM 850 CE3 TRP A 54 -2.991 -10.876 -6.572 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.673 -10.050 -6.909 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -3.984 -11.775 -6.911 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.311 -11.359 -7.078 1.00 0.00 C ATOM 0 H TRP A 54 -1.905 -7.770 -3.137 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.575 -9.981 -4.588 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.819 -7.224 -5.767 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.575 -8.758 -6.578 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.249 -6.300 -5.805 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.591 -7.227 -6.392 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.970 -11.206 -6.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.697 -9.732 -7.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.733 -12.816 -7.050 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.064 -12.086 -7.346 1.00 0.00 H new ATOM 864 N LEU A 55 0.505 -7.124 -3.351 1.00 0.00 N ATOM 865 CA LEU A 55 1.686 -6.441 -2.833 1.00 0.00 C ATOM 866 C LEU A 55 2.067 -6.980 -1.458 1.00 0.00 C ATOM 867 O LEU A 55 1.681 -6.420 -0.432 1.00 0.00 O ATOM 868 CB LEU A 55 1.433 -4.935 -2.751 1.00 0.00 C ATOM 869 CG LEU A 55 0.456 -4.362 -3.779 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.458 -2.842 -3.726 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.806 -4.849 -5.177 1.00 0.00 C ATOM 0 H LEU A 55 -0.369 -6.616 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 55 2.513 -6.627 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.058 -4.704 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.387 -4.420 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.547 -4.713 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.243 -2.451 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.159 -2.512 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.459 -2.472 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.100 -4.431 -5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.816 -4.528 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.753 -5.937 -5.207 1.00 0.00 H new ATOM 883 N ASP A 56 2.829 -8.068 -1.445 1.00 0.00 N ATOM 884 CA ASP A 56 3.266 -8.681 -0.196 1.00 0.00 C ATOM 885 C ASP A 56 4.362 -9.711 -0.450 1.00 0.00 C ATOM 886 O ASP A 56 4.256 -10.560 -1.335 1.00 0.00 O ATOM 887 CB ASP A 56 2.083 -9.340 0.515 1.00 0.00 C ATOM 888 CG ASP A 56 2.523 -10.305 1.598 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.036 -9.838 2.637 1.00 0.00 O ATOM 890 OD2 ASP A 56 2.355 -11.528 1.408 1.00 0.00 O ATOM 0 H ASP A 56 3.157 -8.544 -2.285 1.00 0.00 H new ATOM 0 HA ASP A 56 3.672 -7.896 0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.451 -8.568 0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.474 -9.872 -0.216 1.00 0.00 H new ATOM 895 N PRO A 57 5.440 -9.636 0.343 1.00 0.00 N ATOM 896 CA PRO A 57 6.577 -10.554 0.223 1.00 0.00 C ATOM 897 C PRO A 57 6.228 -11.970 0.667 1.00 0.00 C ATOM 898 O PRO A 57 6.663 -12.947 0.058 1.00 0.00 O ATOM 899 CB PRO A 57 7.626 -9.945 1.157 1.00 0.00 C ATOM 900 CG PRO A 57 6.839 -9.168 2.155 1.00 0.00 C ATOM 901 CD PRO A 57 5.634 -8.650 1.420 1.00 0.00 C ATOM 0 HA PRO A 57 6.912 -10.654 -0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.223 -10.719 1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.317 -9.303 0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.543 -9.797 2.994 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.429 -8.348 2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.762 -8.589 2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.805 -7.650 1.023 1.00 0.00 H new