USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=11 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 Set 1.1: A 26 LYS NZ :NH3+ -140:sc= 0.859 (180deg=0) USER MOD Set 1.2: A 27 TYR OH : rot 180:sc= 0.661 USER MOD Single : A 14 ASN : amide:sc= -2.47 K(o=-2.5,f=-3.3) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 161:sc= -0.0116 (180deg=-0.113) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.6) USER MOD Single : A 31 GLN : amide:sc= -0.465 K(o=-0.46,f=-6.1!) 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 : no HD1:sc= -4.99! C(o=-5!,f=-5.7!) USER MOD Single : A 42 LYS NZ :NH3+ -156:sc= 0.804 (180deg=0.0425) USER MOD Single : A 43 SER OG : rot 180:sc=-0.00256 USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0124) USER MOD Single : A 46 GLN : amide:sc= -0.695 X(o=-0.69,f=-0.65) USER MOD Single : A 47 CYS SG : rot 90:sc= -1.85 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 -7.910 -0.485 -8.226 1.00 0.00 N ATOM 119 CA TRP A 12 -6.605 0.118 -7.981 1.00 0.00 C ATOM 120 C TRP A 12 -5.911 0.465 -9.293 1.00 0.00 C ATOM 121 O TRP A 12 -5.981 -0.291 -10.262 1.00 0.00 O ATOM 122 CB TRP A 12 -5.728 -0.829 -7.161 1.00 0.00 C ATOM 123 CG TRP A 12 -6.075 -0.848 -5.703 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.083 -1.554 -5.109 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.417 -0.127 -4.656 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.090 -1.315 -3.756 1.00 0.00 N ATOM 127 CE2 TRP A 12 -6.077 -0.444 -3.453 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.332 0.753 -4.617 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.689 0.091 -2.227 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.948 1.283 -3.400 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.624 0.950 -2.219 1.00 0.00 C ATOM 0 HA TRP A 12 -6.758 1.039 -7.418 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.821 -1.838 -7.562 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.684 -0.536 -7.275 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.773 -2.204 -5.627 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.743 -1.720 -3.086 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.803 1.014 -5.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.210 -0.163 -1.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.112 1.966 -3.359 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.298 1.380 -1.283 1.00 0.00 H new ATOM 142 N ARG A 13 -5.242 1.613 -9.318 1.00 0.00 N ATOM 143 CA ARG A 13 -4.536 2.060 -10.513 1.00 0.00 C ATOM 144 C ARG A 13 -3.027 2.053 -10.288 1.00 0.00 C ATOM 145 O ARG A 13 -2.558 2.162 -9.156 1.00 0.00 O ATOM 146 CB ARG A 13 -4.996 3.464 -10.908 1.00 0.00 C ATOM 147 CG ARG A 13 -6.508 3.621 -10.949 1.00 0.00 C ATOM 148 CD ARG A 13 -7.102 2.965 -12.185 1.00 0.00 C ATOM 149 NE ARG A 13 -6.611 3.575 -13.418 1.00 0.00 N ATOM 150 CZ ARG A 13 -7.182 3.398 -14.604 1.00 0.00 C ATOM 151 NH1 ARG A 13 -8.260 2.633 -14.717 1.00 0.00 N ATOM 152 NH2 ARG A 13 -6.677 3.987 -15.680 1.00 0.00 N ATOM 0 H ARG A 13 -5.174 2.250 -8.525 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.769 1.367 -11.322 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.583 4.184 -10.202 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.587 3.709 -11.888 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.945 3.178 -10.054 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.765 4.680 -10.938 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.858 1.903 -12.184 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.189 3.043 -12.150 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.784 4.170 -13.365 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.652 2.179 -13.892 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.697 2.499 -15.629 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.849 4.577 -15.597 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.117 3.850 -16.590 1.00 0.00 H new ATOM 166 N ASN A 14 -2.272 1.922 -11.374 1.00 0.00 N ATOM 167 CA ASN A 14 -0.816 1.899 -11.294 1.00 0.00 C ATOM 168 C ASN A 14 -0.315 2.849 -10.211 1.00 0.00 C ATOM 169 O ASN A 14 0.408 2.445 -9.300 1.00 0.00 O ATOM 170 CB ASN A 14 -0.205 2.280 -12.644 1.00 0.00 C ATOM 171 CG ASN A 14 -0.722 3.609 -13.159 1.00 0.00 C ATOM 172 OD1 ASN A 14 -1.895 3.737 -13.512 1.00 0.00 O ATOM 173 ND2 ASN A 14 0.153 4.607 -13.204 1.00 0.00 N ATOM 0 H ASN A 14 -2.644 1.830 -12.319 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.507 0.886 -11.035 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.880 2.328 -12.548 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.426 1.500 -13.373 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.137 5.525 -13.541 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.115 4.456 -12.901 1.00 0.00 H new ATOM 180 N THR A 15 -0.705 4.116 -10.316 1.00 0.00 N ATOM 181 CA THR A 15 -0.296 5.124 -9.346 1.00 0.00 C ATOM 182 C THR A 15 -0.680 4.712 -7.930 1.00 0.00 C ATOM 183 O THR A 15 0.185 4.501 -7.080 1.00 0.00 O ATOM 184 CB THR A 15 -0.927 6.494 -9.659 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.347 6.359 -9.795 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.344 7.079 -10.936 1.00 0.00 C ATOM 0 H THR A 15 -1.304 4.468 -11.063 1.00 0.00 H new ATOM 0 HA THR A 15 0.789 5.208 -9.416 1.00 0.00 H new ATOM 0 HB THR A 15 -0.703 7.170 -8.834 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.741 7.234 -9.992 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.805 8.046 -11.137 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.732 7.207 -10.819 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.541 6.404 -11.769 1.00 0.00 H new ATOM 194 N GLU A 16 -1.981 4.600 -7.683 1.00 0.00 N ATOM 195 CA GLU A 16 -2.478 4.214 -6.367 1.00 0.00 C ATOM 196 C GLU A 16 -1.596 3.132 -5.749 1.00 0.00 C ATOM 197 O GLU A 16 -1.263 3.190 -4.565 1.00 0.00 O ATOM 198 CB GLU A 16 -3.920 3.714 -6.469 1.00 0.00 C ATOM 199 CG GLU A 16 -4.957 4.818 -6.345 1.00 0.00 C ATOM 200 CD GLU A 16 -5.405 5.039 -4.913 1.00 0.00 C ATOM 201 OE1 GLU A 16 -5.188 4.138 -4.077 1.00 0.00 O ATOM 202 OE2 GLU A 16 -5.972 6.115 -4.630 1.00 0.00 O ATOM 0 H GLU A 16 -2.710 4.771 -8.376 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.450 5.093 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.053 3.207 -7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.095 2.973 -5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.543 5.746 -6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.823 4.569 -6.958 1.00 0.00 H new ATOM 209 N ASP A 17 -1.222 2.148 -6.559 1.00 0.00 N ATOM 210 CA ASP A 17 -0.379 1.053 -6.093 1.00 0.00 C ATOM 211 C ASP A 17 1.013 1.558 -5.726 1.00 0.00 C ATOM 212 O ASP A 17 1.553 1.209 -4.677 1.00 0.00 O ATOM 213 CB ASP A 17 -0.276 -0.032 -7.166 1.00 0.00 C ATOM 214 CG ASP A 17 -1.362 -1.082 -7.035 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.517 -0.790 -7.409 1.00 0.00 O ATOM 216 OD2 ASP A 17 -1.057 -2.195 -6.557 1.00 0.00 O ATOM 0 H ASP A 17 -1.489 2.086 -7.541 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.838 0.627 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.338 0.429 -8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.700 -0.513 -7.100 1.00 0.00 H new ATOM 221 N GLU A 18 1.588 2.379 -6.599 1.00 0.00 N ATOM 222 CA GLU A 18 2.918 2.930 -6.366 1.00 0.00 C ATOM 223 C GLU A 18 2.974 3.675 -5.036 1.00 0.00 C ATOM 224 O GLU A 18 3.869 3.448 -4.222 1.00 0.00 O ATOM 225 CB GLU A 18 3.312 3.870 -7.508 1.00 0.00 C ATOM 226 CG GLU A 18 3.973 3.162 -8.679 1.00 0.00 C ATOM 227 CD GLU A 18 5.072 2.213 -8.242 1.00 0.00 C ATOM 228 OE1 GLU A 18 5.909 2.617 -7.409 1.00 0.00 O ATOM 229 OE2 GLU A 18 5.093 1.065 -8.734 1.00 0.00 O ATOM 0 H GLU A 18 1.154 2.677 -7.473 1.00 0.00 H new ATOM 0 HA GLU A 18 3.625 2.101 -6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.422 4.389 -7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.992 4.630 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.218 2.606 -9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.389 3.905 -9.360 1.00 0.00 H new ATOM 236 N ILE A 19 2.011 4.566 -4.824 1.00 0.00 N ATOM 237 CA ILE A 19 1.950 5.345 -3.593 1.00 0.00 C ATOM 238 C ILE A 19 1.897 4.437 -2.370 1.00 0.00 C ATOM 239 O ILE A 19 2.745 4.524 -1.480 1.00 0.00 O ATOM 240 CB ILE A 19 0.726 6.279 -3.579 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.777 7.241 -4.768 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.664 7.051 -2.269 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.588 7.705 -5.228 1.00 0.00 C ATOM 0 H ILE A 19 1.263 4.766 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 19 2.857 5.948 -3.555 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.176 5.673 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.375 8.111 -4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.285 6.752 -5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.207 7.707 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.586 6.351 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.568 7.649 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.476 8.384 -6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.182 6.843 -5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.091 8.223 -4.411 1.00 0.00 H new ATOM 255 N LEU A 20 0.896 3.564 -2.331 1.00 0.00 N ATOM 256 CA LEU A 20 0.732 2.636 -1.217 1.00 0.00 C ATOM 257 C LEU A 20 2.031 1.885 -0.938 1.00 0.00 C ATOM 258 O LEU A 20 2.575 1.952 0.164 1.00 0.00 O ATOM 259 CB LEU A 20 -0.391 1.641 -1.517 1.00 0.00 C ATOM 260 CG LEU A 20 -0.533 0.475 -0.538 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.261 0.920 0.720 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.262 -0.687 -1.196 1.00 0.00 C ATOM 0 H LEU A 20 0.186 3.479 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 20 0.470 3.214 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.335 2.186 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.232 1.234 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 20 0.465 0.139 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.353 0.077 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.699 1.720 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.254 1.283 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.354 -1.508 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.255 -0.364 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.700 -1.023 -2.067 1.00 0.00 H new ATOM 274 N LYS A 21 2.524 1.172 -1.945 1.00 0.00 N ATOM 275 CA LYS A 21 3.760 0.412 -1.811 1.00 0.00 C ATOM 276 C LYS A 21 4.796 1.193 -1.008 1.00 0.00 C ATOM 277 O LYS A 21 5.251 0.740 0.042 1.00 0.00 O ATOM 278 CB LYS A 21 4.324 0.068 -3.192 1.00 0.00 C ATOM 279 CG LYS A 21 3.609 -1.087 -3.870 1.00 0.00 C ATOM 280 CD LYS A 21 3.753 -1.022 -5.382 1.00 0.00 C ATOM 281 CE LYS A 21 3.736 -2.410 -6.004 1.00 0.00 C ATOM 282 NZ LYS A 21 5.104 -2.989 -6.106 1.00 0.00 N ATOM 0 H LYS A 21 2.086 1.105 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 21 3.533 -0.511 -1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.261 0.949 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.381 -0.178 -3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.014 -2.031 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.552 -1.069 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.943 -0.425 -5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.685 -0.519 -5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.107 -3.069 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.289 -2.358 -6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.050 -3.935 -6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.698 -2.374 -6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.521 -3.063 -5.156 1.00 0.00 H new ATOM 296 N ALA A 22 5.161 2.369 -1.507 1.00 0.00 N ATOM 297 CA ALA A 22 6.140 3.214 -0.834 1.00 0.00 C ATOM 298 C ALA A 22 5.711 3.516 0.598 1.00 0.00 C ATOM 299 O ALA A 22 6.403 3.161 1.551 1.00 0.00 O ATOM 300 CB ALA A 22 6.343 4.506 -1.610 1.00 0.00 C ATOM 0 H ALA A 22 4.794 2.758 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 22 7.086 2.674 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.076 5.128 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.702 4.275 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.397 5.042 -1.678 1.00 0.00 H new ATOM 306 N ALA A 23 4.566 4.174 0.741 1.00 0.00 N ATOM 307 CA ALA A 23 4.044 4.523 2.057 1.00 0.00 C ATOM 308 C ALA A 23 4.281 3.397 3.057 1.00 0.00 C ATOM 309 O ALA A 23 4.889 3.603 4.107 1.00 0.00 O ATOM 310 CB ALA A 23 2.561 4.850 1.968 1.00 0.00 C ATOM 0 H ALA A 23 3.982 4.476 -0.038 1.00 0.00 H new ATOM 0 HA ALA A 23 4.578 5.405 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.185 5.109 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.414 5.693 1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.019 3.983 1.589 1.00 0.00 H new ATOM 316 N VAL A 24 3.795 2.205 2.725 1.00 0.00 N ATOM 317 CA VAL A 24 3.953 1.045 3.594 1.00 0.00 C ATOM 318 C VAL A 24 5.409 0.865 4.010 1.00 0.00 C ATOM 319 O VAL A 24 5.697 0.443 5.129 1.00 0.00 O ATOM 320 CB VAL A 24 3.465 -0.243 2.906 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.605 -1.435 3.841 1.00 0.00 C ATOM 322 CG2 VAL A 24 2.024 -0.086 2.443 1.00 0.00 C ATOM 0 H VAL A 24 3.288 2.017 1.860 1.00 0.00 H new ATOM 0 HA VAL A 24 3.344 1.228 4.479 1.00 0.00 H new ATOM 0 HB VAL A 24 4.088 -0.424 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.255 -2.336 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.652 -1.558 4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.009 -1.266 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.695 -1.006 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.386 0.120 3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.957 0.740 1.735 1.00 0.00 H new ATOM 332 N MET A 25 6.323 1.189 3.101 1.00 0.00 N ATOM 333 CA MET A 25 7.750 1.065 3.375 1.00 0.00 C ATOM 334 C MET A 25 8.236 2.209 4.259 1.00 0.00 C ATOM 335 O MET A 25 9.181 2.052 5.032 1.00 0.00 O ATOM 336 CB MET A 25 8.542 1.045 2.066 1.00 0.00 C ATOM 337 CG MET A 25 8.165 -0.105 1.146 1.00 0.00 C ATOM 338 SD MET A 25 9.153 -1.584 1.442 1.00 0.00 S ATOM 339 CE MET A 25 7.983 -2.867 1.002 1.00 0.00 C ATOM 0 H MET A 25 6.101 1.539 2.169 1.00 0.00 H new ATOM 0 HA MET A 25 7.912 0.126 3.905 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.384 1.987 1.541 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.606 0.983 2.295 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.110 -0.344 1.283 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.289 0.208 0.109 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.518 -3.796 0.805 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.283 -3.019 1.824 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.434 -2.568 0.109 1.00 0.00 H new ATOM 349 N LYS A 26 7.584 3.361 4.140 1.00 0.00 N ATOM 350 CA LYS A 26 7.948 4.532 4.929 1.00 0.00 C ATOM 351 C LYS A 26 7.266 4.503 6.293 1.00 0.00 C ATOM 352 O LYS A 26 7.927 4.397 7.326 1.00 0.00 O ATOM 353 CB LYS A 26 7.567 5.813 4.183 1.00 0.00 C ATOM 354 CG LYS A 26 7.698 7.069 5.027 1.00 0.00 C ATOM 355 CD LYS A 26 7.123 8.282 4.314 1.00 0.00 C ATOM 356 CE LYS A 26 6.579 9.302 5.302 1.00 0.00 C ATOM 357 NZ LYS A 26 6.057 10.516 4.615 1.00 0.00 N ATOM 0 H LYS A 26 6.800 3.509 3.504 1.00 0.00 H new ATOM 0 HA LYS A 26 9.027 4.515 5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.199 5.911 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.539 5.727 3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.183 6.926 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.749 7.246 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.896 8.745 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.327 7.966 3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.783 8.848 5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.367 9.589 5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.321 11.363 5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.464 10.576 3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.021 10.458 4.547 1.00 0.00 H new ATOM 371 N TYR A 27 5.941 4.595 6.288 1.00 0.00 N ATOM 372 CA TYR A 27 5.169 4.581 7.525 1.00 0.00 C ATOM 373 C TYR A 27 5.220 3.205 8.183 1.00 0.00 C ATOM 374 O TYR A 27 5.195 3.088 9.407 1.00 0.00 O ATOM 375 CB TYR A 27 3.717 4.973 7.250 1.00 0.00 C ATOM 376 CG TYR A 27 3.572 6.304 6.546 1.00 0.00 C ATOM 377 CD1 TYR A 27 3.597 6.385 5.160 1.00 0.00 C ATOM 378 CD2 TYR A 27 3.409 7.480 7.269 1.00 0.00 C ATOM 379 CE1 TYR A 27 3.467 7.599 4.513 1.00 0.00 C ATOM 380 CE2 TYR A 27 3.276 8.698 6.630 1.00 0.00 C ATOM 381 CZ TYR A 27 3.306 8.752 5.252 1.00 0.00 C ATOM 382 OH TYR A 27 3.174 9.963 4.612 1.00 0.00 O ATOM 0 H TYR A 27 5.379 4.680 5.441 1.00 0.00 H new ATOM 0 HA TYR A 27 5.611 5.307 8.207 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.249 4.198 6.643 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.174 5.010 8.195 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.720 5.484 4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.386 7.441 8.348 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.491 7.645 3.434 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.149 9.603 7.206 1.00 0.00 H new ATOM 0 HH TYR A 27 3.068 10.675 5.277 1.00 0.00 H new ATOM 392 N GLY A 28 5.292 2.164 7.358 1.00 0.00 N ATOM 393 CA GLY A 28 5.345 0.810 7.875 1.00 0.00 C ATOM 394 C GLY A 28 4.014 0.093 7.763 1.00 0.00 C ATOM 395 O GLY A 28 2.997 0.704 7.436 1.00 0.00 O ATOM 0 H GLY A 28 5.315 2.235 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.104 0.247 7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.653 0.835 8.920 1.00 0.00 H new ATOM 399 N LYS A 29 4.020 -1.208 8.034 1.00 0.00 N ATOM 400 CA LYS A 29 2.805 -2.010 7.962 1.00 0.00 C ATOM 401 C LYS A 29 1.990 -1.880 9.244 1.00 0.00 C ATOM 402 O LYS A 29 1.432 -2.858 9.738 1.00 0.00 O ATOM 403 CB LYS A 29 3.153 -3.480 7.714 1.00 0.00 C ATOM 404 CG LYS A 29 4.026 -3.700 6.490 1.00 0.00 C ATOM 405 CD LYS A 29 4.710 -5.056 6.530 1.00 0.00 C ATOM 406 CE LYS A 29 5.766 -5.179 5.442 1.00 0.00 C ATOM 407 NZ LYS A 29 6.535 -6.449 5.557 1.00 0.00 N ATOM 0 H LYS A 29 4.854 -1.729 8.306 1.00 0.00 H new ATOM 0 HA LYS A 29 2.205 -1.639 7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.665 -3.877 8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.230 -4.049 7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.417 -3.625 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.778 -2.913 6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.173 -5.203 7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.967 -5.844 6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.287 -5.132 4.464 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.451 -4.333 5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.244 -6.495 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.013 -6.483 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.885 -7.257 5.473 1.00 0.00 H new ATOM 421 N ASN A 30 1.924 -0.664 9.777 1.00 0.00 N ATOM 422 CA ASN A 30 1.175 -0.405 11.001 1.00 0.00 C ATOM 423 C ASN A 30 0.276 0.817 10.842 1.00 0.00 C ATOM 424 O ASN A 30 -0.841 0.849 11.358 1.00 0.00 O ATOM 425 CB ASN A 30 2.134 -0.197 12.176 1.00 0.00 C ATOM 426 CG ASN A 30 3.353 0.618 11.789 1.00 0.00 C ATOM 427 OD1 ASN A 30 4.198 0.164 11.017 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.450 1.829 12.326 1.00 0.00 N ATOM 0 H ASN A 30 2.380 0.157 9.380 1.00 0.00 H new ATOM 0 HA ASN A 30 0.546 -1.272 11.202 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.607 0.305 12.987 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.454 -1.167 12.556 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.249 2.423 12.103 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.726 2.165 12.961 1.00 0.00 H new ATOM 435 N GLN A 31 0.772 1.819 10.124 1.00 0.00 N ATOM 436 CA GLN A 31 0.013 3.044 9.896 1.00 0.00 C ATOM 437 C GLN A 31 -0.918 2.892 8.698 1.00 0.00 C ATOM 438 O GLN A 31 -1.086 3.822 7.909 1.00 0.00 O ATOM 439 CB GLN A 31 0.962 4.223 9.675 1.00 0.00 C ATOM 440 CG GLN A 31 1.912 4.466 10.836 1.00 0.00 C ATOM 441 CD GLN A 31 2.300 5.924 10.978 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.500 6.751 11.418 1.00 0.00 O ATOM 443 NE2 GLN A 31 3.532 6.249 10.606 1.00 0.00 N ATOM 0 H GLN A 31 1.695 1.807 9.690 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.593 3.237 10.781 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.545 4.045 8.771 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.374 5.124 9.503 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.444 4.127 11.760 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.812 3.867 10.696 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.162 5.532 10.247 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.849 7.216 10.679 1.00 0.00 H new ATOM 452 N TRP A 32 -1.520 1.716 8.568 1.00 0.00 N ATOM 453 CA TRP A 32 -2.434 1.443 7.464 1.00 0.00 C ATOM 454 C TRP A 32 -3.507 2.522 7.367 1.00 0.00 C ATOM 455 O TRP A 32 -3.865 2.957 6.272 1.00 0.00 O ATOM 456 CB TRP A 32 -3.087 0.072 7.643 1.00 0.00 C ATOM 457 CG TRP A 32 -2.153 -1.070 7.382 1.00 0.00 C ATOM 458 CD1 TRP A 32 -1.801 -2.058 8.257 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.449 -1.340 6.165 1.00 0.00 C ATOM 460 NE1 TRP A 32 -0.921 -2.926 7.656 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.690 -2.508 6.373 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.388 -0.710 4.919 1.00 0.00 C ATOM 463 CZ2 TRP A 32 0.120 -3.056 5.381 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.584 -1.255 3.936 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.161 -2.418 4.171 1.00 0.00 C ATOM 0 H TRP A 32 -1.392 0.936 9.213 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.858 1.445 6.539 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.473 -0.009 8.659 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.941 -0.006 6.971 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.161 -2.144 9.272 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.507 -3.748 8.095 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.959 0.187 4.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.695 -3.952 5.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.529 -0.776 2.970 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.780 -2.819 3.382 1.00 0.00 H new ATOM 476 N SER A 33 -4.016 2.950 8.518 1.00 0.00 N ATOM 477 CA SER A 33 -5.051 3.977 8.561 1.00 0.00 C ATOM 478 C SER A 33 -4.524 5.303 8.021 1.00 0.00 C ATOM 479 O SER A 33 -5.198 5.983 7.247 1.00 0.00 O ATOM 480 CB SER A 33 -5.557 4.161 9.993 1.00 0.00 C ATOM 481 OG SER A 33 -6.443 5.263 10.083 1.00 0.00 O ATOM 0 H SER A 33 -3.729 2.602 9.433 1.00 0.00 H new ATOM 0 HA SER A 33 -5.878 3.651 7.930 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.065 3.254 10.322 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.712 4.314 10.664 1.00 0.00 H new ATOM 0 HG SER A 33 -6.753 5.358 11.008 1.00 0.00 H new ATOM 487 N ARG A 34 -3.314 5.664 8.435 1.00 0.00 N ATOM 488 CA ARG A 34 -2.696 6.909 7.995 1.00 0.00 C ATOM 489 C ARG A 34 -2.366 6.855 6.506 1.00 0.00 C ATOM 490 O ARG A 34 -2.511 7.848 5.792 1.00 0.00 O ATOM 491 CB ARG A 34 -1.424 7.184 8.800 1.00 0.00 C ATOM 492 CG ARG A 34 -1.076 8.660 8.902 1.00 0.00 C ATOM 493 CD ARG A 34 0.426 8.871 9.017 1.00 0.00 C ATOM 494 NE ARG A 34 0.752 10.119 9.702 1.00 0.00 N ATOM 495 CZ ARG A 34 0.788 10.244 11.024 1.00 0.00 C ATOM 496 NH1 ARG A 34 0.519 9.202 11.799 1.00 0.00 N ATOM 497 NH2 ARG A 34 1.094 11.412 11.574 1.00 0.00 N ATOM 0 H ARG A 34 -2.742 5.112 9.074 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.407 7.718 8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.544 6.777 9.804 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.591 6.654 8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.452 9.185 8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.573 9.093 9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.869 8.034 9.557 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.869 8.878 8.021 1.00 0.00 H new ATOM 0 HE ARG A 34 0.964 10.940 9.134 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.284 8.302 11.380 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.547 9.300 12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.302 12.216 10.982 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.121 11.506 12.589 1.00 0.00 H new ATOM 511 N ILE A 35 -1.921 5.691 6.045 1.00 0.00 N ATOM 512 CA ILE A 35 -1.572 5.508 4.642 1.00 0.00 C ATOM 513 C ILE A 35 -2.776 5.752 3.739 1.00 0.00 C ATOM 514 O ILE A 35 -2.671 6.429 2.717 1.00 0.00 O ATOM 515 CB ILE A 35 -1.025 4.093 4.378 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.304 3.891 5.110 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.852 3.862 2.884 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.730 2.443 5.200 1.00 0.00 C ATOM 0 H ILE A 35 -1.794 4.860 6.623 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.795 6.238 4.413 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.742 3.366 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.081 4.459 4.598 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.221 4.300 6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.465 2.858 2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.815 3.969 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.152 4.594 2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.680 2.375 5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.028 1.874 5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.846 2.035 4.196 1.00 0.00 H new ATOM 530 N ALA A 36 -3.921 5.198 4.126 1.00 0.00 N ATOM 531 CA ALA A 36 -5.146 5.359 3.354 1.00 0.00 C ATOM 532 C ALA A 36 -5.405 6.827 3.033 1.00 0.00 C ATOM 533 O ALA A 36 -5.744 7.175 1.902 1.00 0.00 O ATOM 534 CB ALA A 36 -6.327 4.766 4.108 1.00 0.00 C ATOM 0 H ALA A 36 -4.025 4.634 4.970 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.024 4.824 2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.236 4.893 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.152 3.704 4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.440 5.275 5.065 1.00 0.00 H new ATOM 540 N SER A 37 -5.243 7.685 4.036 1.00 0.00 N ATOM 541 CA SER A 37 -5.463 9.115 3.861 1.00 0.00 C ATOM 542 C SER A 37 -4.756 9.625 2.609 1.00 0.00 C ATOM 543 O SER A 37 -5.303 10.436 1.860 1.00 0.00 O ATOM 544 CB SER A 37 -4.967 9.883 5.088 1.00 0.00 C ATOM 545 OG SER A 37 -5.880 9.766 6.166 1.00 0.00 O ATOM 0 H SER A 37 -4.960 7.414 4.978 1.00 0.00 H new ATOM 0 HA SER A 37 -6.534 9.281 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.992 9.501 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.833 10.934 4.833 1.00 0.00 H new ATOM 0 HG SER A 37 -5.540 10.264 6.938 1.00 0.00 H new ATOM 551 N LEU A 38 -3.538 9.144 2.388 1.00 0.00 N ATOM 552 CA LEU A 38 -2.754 9.550 1.226 1.00 0.00 C ATOM 553 C LEU A 38 -3.525 9.298 -0.066 1.00 0.00 C ATOM 554 O LEU A 38 -3.577 10.156 -0.948 1.00 0.00 O ATOM 555 CB LEU A 38 -1.424 8.796 1.195 1.00 0.00 C ATOM 556 CG LEU A 38 -0.607 8.823 2.488 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.475 7.755 2.457 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.005 10.199 2.704 1.00 0.00 C ATOM 0 H LEU A 38 -3.071 8.472 2.998 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.557 10.619 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.625 7.756 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.813 9.211 0.394 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.275 8.610 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.046 7.789 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.014 6.773 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.141 7.937 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.583 10.199 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.660 10.441 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.788 10.943 2.772 1.00 0.00 H new ATOM 570 N LEU A 39 -4.124 8.117 -0.170 1.00 0.00 N ATOM 571 CA LEU A 39 -4.895 7.752 -1.353 1.00 0.00 C ATOM 572 C LEU A 39 -6.344 8.211 -1.222 1.00 0.00 C ATOM 573 O LEU A 39 -6.867 8.342 -0.115 1.00 0.00 O ATOM 574 CB LEU A 39 -4.846 6.238 -1.571 1.00 0.00 C ATOM 575 CG LEU A 39 -3.462 5.593 -1.487 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.578 4.135 -1.072 1.00 0.00 C ATOM 577 CD2 LEU A 39 -2.736 5.714 -2.819 1.00 0.00 C ATOM 0 H LEU A 39 -4.091 7.396 0.551 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.451 8.252 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.492 5.763 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.269 6.018 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.881 6.120 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.584 3.692 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.058 4.072 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.176 3.594 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.753 5.250 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.314 5.212 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.621 6.767 -3.076 1.00 0.00 H new ATOM 589 N HIS A 40 -6.988 8.453 -2.360 1.00 0.00 N ATOM 590 CA HIS A 40 -8.377 8.895 -2.373 1.00 0.00 C ATOM 591 C HIS A 40 -9.321 7.715 -2.587 1.00 0.00 C ATOM 592 O HIS A 40 -9.047 6.827 -3.395 1.00 0.00 O ATOM 593 CB HIS A 40 -8.592 9.940 -3.468 1.00 0.00 C ATOM 594 CG HIS A 40 -10.030 10.300 -3.679 1.00 0.00 C ATOM 595 ND1 HIS A 40 -10.604 10.411 -4.928 1.00 0.00 N ATOM 596 CD2 HIS A 40 -11.014 10.574 -2.790 1.00 0.00 C ATOM 597 CE1 HIS A 40 -11.877 10.738 -4.799 1.00 0.00 C ATOM 598 NE2 HIS A 40 -12.151 10.843 -3.511 1.00 0.00 N ATOM 0 H HIS A 40 -6.569 8.350 -3.284 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.598 9.344 -1.405 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.034 10.841 -3.213 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.179 9.564 -4.404 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.922 10.580 -1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.575 10.893 -5.608 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -13.060 11.085 -3.116 1.00 0.00 H new ATOM 607 N ARG A 41 -10.432 7.713 -1.858 1.00 0.00 N ATOM 608 CA ARG A 41 -11.415 6.641 -1.968 1.00 0.00 C ATOM 609 C ARG A 41 -10.814 5.306 -1.536 1.00 0.00 C ATOM 610 O ARG A 41 -11.164 4.254 -2.070 1.00 0.00 O ATOM 611 CB ARG A 41 -11.933 6.539 -3.403 1.00 0.00 C ATOM 612 CG ARG A 41 -12.445 7.857 -3.961 1.00 0.00 C ATOM 613 CD ARG A 41 -13.527 7.637 -5.006 1.00 0.00 C ATOM 614 NE ARG A 41 -13.024 6.915 -6.172 1.00 0.00 N ATOM 615 CZ ARG A 41 -13.788 6.546 -7.194 1.00 0.00 C ATOM 616 NH1 ARG A 41 -15.083 6.830 -7.195 1.00 0.00 N ATOM 617 NH2 ARG A 41 -13.256 5.892 -8.219 1.00 0.00 N ATOM 0 H ARG A 41 -10.674 8.441 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.248 6.877 -1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.132 6.169 -4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.736 5.803 -3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.840 8.468 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.618 8.412 -4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.351 7.079 -4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.928 8.600 -5.321 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.032 6.681 -6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.495 7.333 -6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.667 6.545 -7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.260 5.672 -8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.843 5.609 -9.003 1.00 0.00 H new ATOM 631 N LYS A 42 -9.907 5.358 -0.567 1.00 0.00 N ATOM 632 CA LYS A 42 -9.257 4.154 -0.062 1.00 0.00 C ATOM 633 C LYS A 42 -9.167 4.182 1.461 1.00 0.00 C ATOM 634 O LYS A 42 -8.764 5.185 2.049 1.00 0.00 O ATOM 635 CB LYS A 42 -7.857 4.015 -0.664 1.00 0.00 C ATOM 636 CG LYS A 42 -7.859 3.831 -2.172 1.00 0.00 C ATOM 637 CD LYS A 42 -8.408 2.470 -2.567 1.00 0.00 C ATOM 638 CE LYS A 42 -8.744 2.414 -4.049 1.00 0.00 C ATOM 639 NZ LYS A 42 -7.519 2.435 -4.897 1.00 0.00 N ATOM 0 H LYS A 42 -9.605 6.221 -0.115 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.860 3.295 -0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.274 4.902 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.355 3.164 -0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.459 4.615 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.844 3.940 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.676 1.698 -2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.302 2.253 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.315 1.509 -4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.380 3.260 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.757 2.798 -5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.805 3.051 -4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.139 1.471 -4.982 1.00 0.00 H new ATOM 653 N SER A 43 -9.543 3.075 2.092 1.00 0.00 N ATOM 654 CA SER A 43 -9.506 2.974 3.546 1.00 0.00 C ATOM 655 C SER A 43 -8.522 1.896 3.991 1.00 0.00 C ATOM 656 O SER A 43 -8.089 1.067 3.192 1.00 0.00 O ATOM 657 CB SER A 43 -10.901 2.663 4.092 1.00 0.00 C ATOM 658 OG SER A 43 -10.951 2.846 5.497 1.00 0.00 O ATOM 0 H SER A 43 -9.877 2.235 1.619 1.00 0.00 H new ATOM 0 HA SER A 43 -9.173 3.933 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.636 3.309 3.611 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.171 1.636 3.846 1.00 0.00 H new ATOM 0 HG SER A 43 -11.853 2.643 5.821 1.00 0.00 H new ATOM 664 N ALA A 44 -8.173 1.916 5.273 1.00 0.00 N ATOM 665 CA ALA A 44 -7.242 0.940 5.827 1.00 0.00 C ATOM 666 C ALA A 44 -7.518 -0.455 5.277 1.00 0.00 C ATOM 667 O ALA A 44 -6.594 -1.191 4.930 1.00 0.00 O ATOM 668 CB ALA A 44 -7.322 0.937 7.346 1.00 0.00 C ATOM 0 H ALA A 44 -8.521 2.597 5.948 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.233 1.226 5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.622 0.204 7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.067 1.927 7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.334 0.679 7.657 1.00 0.00 H new ATOM 674 N LYS A 45 -8.795 -0.814 5.202 1.00 0.00 N ATOM 675 CA LYS A 45 -9.194 -2.121 4.694 1.00 0.00 C ATOM 676 C LYS A 45 -8.664 -2.341 3.281 1.00 0.00 C ATOM 677 O LYS A 45 -8.109 -3.396 2.974 1.00 0.00 O ATOM 678 CB LYS A 45 -10.719 -2.251 4.704 1.00 0.00 C ATOM 679 CG LYS A 45 -11.207 -3.688 4.629 1.00 0.00 C ATOM 680 CD LYS A 45 -11.016 -4.270 3.238 1.00 0.00 C ATOM 681 CE LYS A 45 -11.971 -5.425 2.981 1.00 0.00 C ATOM 682 NZ LYS A 45 -11.733 -6.560 3.915 1.00 0.00 N ATOM 0 H LYS A 45 -9.572 -0.218 5.487 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.766 -2.882 5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.109 -1.791 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.129 -1.693 3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.667 -4.295 5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.262 -3.730 4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.176 -3.492 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.988 -4.614 3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.999 -5.077 3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.856 -5.770 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.345 -7.359 3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.737 -6.854 3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.950 -6.261 4.887 1.00 0.00 H new ATOM 696 N GLN A 46 -8.838 -1.339 2.426 1.00 0.00 N ATOM 697 CA GLN A 46 -8.375 -1.424 1.045 1.00 0.00 C ATOM 698 C GLN A 46 -6.854 -1.519 0.986 1.00 0.00 C ATOM 699 O GLN A 46 -6.303 -2.440 0.382 1.00 0.00 O ATOM 700 CB GLN A 46 -8.854 -0.208 0.249 1.00 0.00 C ATOM 701 CG GLN A 46 -10.267 -0.354 -0.293 1.00 0.00 C ATOM 702 CD GLN A 46 -10.535 -1.734 -0.860 1.00 0.00 C ATOM 703 OE1 GLN A 46 -11.186 -2.564 -0.224 1.00 0.00 O ATOM 704 NE2 GLN A 46 -10.033 -1.988 -2.063 1.00 0.00 N ATOM 0 H GLN A 46 -9.296 -0.459 2.664 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.794 -2.327 0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.808 0.675 0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.171 -0.036 -0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.981 -0.148 0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.433 0.392 -1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.500 -1.271 -2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.181 -2.900 -2.495 1.00 0.00 H new ATOM 713 N CYS A 47 -6.182 -0.561 1.614 1.00 0.00 N ATOM 714 CA CYS A 47 -4.723 -0.536 1.631 1.00 0.00 C ATOM 715 C CYS A 47 -4.163 -1.851 2.165 1.00 0.00 C ATOM 716 O CYS A 47 -3.207 -2.399 1.616 1.00 0.00 O ATOM 717 CB CYS A 47 -4.223 0.629 2.486 1.00 0.00 C ATOM 718 SG CYS A 47 -4.599 2.261 1.802 1.00 0.00 S ATOM 0 H CYS A 47 -6.623 0.208 2.118 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.374 -0.402 0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.665 0.553 3.479 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.144 0.538 2.609 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.754 2.661 2.245 1.00 0.00 H new ATOM 724 N LYS A 48 -4.765 -2.352 3.238 1.00 0.00 N ATOM 725 CA LYS A 48 -4.327 -3.602 3.848 1.00 0.00 C ATOM 726 C LYS A 48 -4.627 -4.786 2.934 1.00 0.00 C ATOM 727 O LYS A 48 -3.826 -5.714 2.822 1.00 0.00 O ATOM 728 CB LYS A 48 -5.013 -3.801 5.201 1.00 0.00 C ATOM 729 CG LYS A 48 -4.272 -4.754 6.123 1.00 0.00 C ATOM 730 CD LYS A 48 -4.642 -4.521 7.579 1.00 0.00 C ATOM 731 CE LYS A 48 -4.141 -5.649 8.468 1.00 0.00 C ATOM 732 NZ LYS A 48 -4.201 -5.285 9.911 1.00 0.00 N ATOM 0 H LYS A 48 -5.558 -1.911 3.704 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.249 -3.546 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.112 -2.834 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.022 -4.179 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.504 -5.783 5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.197 -4.625 5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.219 -3.575 7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.725 -4.437 7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.740 -6.543 8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.114 -5.896 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.851 -6.079 10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.609 -4.447 10.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.185 -5.074 10.175 1.00 0.00 H new ATOM 746 N ALA A 49 -5.785 -4.747 2.284 1.00 0.00 N ATOM 747 CA ALA A 49 -6.188 -5.816 1.378 1.00 0.00 C ATOM 748 C ALA A 49 -5.335 -5.815 0.114 1.00 0.00 C ATOM 749 O ALA A 49 -4.585 -6.757 -0.140 1.00 0.00 O ATOM 750 CB ALA A 49 -7.661 -5.679 1.023 1.00 0.00 C ATOM 0 H ALA A 49 -6.461 -3.987 2.368 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.035 -6.768 1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.948 -6.483 0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.261 -5.737 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.830 -4.718 0.537 1.00 0.00 H new ATOM 756 N ARG A 50 -5.457 -4.753 -0.676 1.00 0.00 N ATOM 757 CA ARG A 50 -4.698 -4.631 -1.915 1.00 0.00 C ATOM 758 C ARG A 50 -3.233 -4.994 -1.693 1.00 0.00 C ATOM 759 O ARG A 50 -2.584 -5.562 -2.572 1.00 0.00 O ATOM 760 CB ARG A 50 -4.805 -3.208 -2.465 1.00 0.00 C ATOM 761 CG ARG A 50 -3.793 -2.900 -3.557 1.00 0.00 C ATOM 762 CD ARG A 50 -3.900 -3.885 -4.710 1.00 0.00 C ATOM 763 NE ARG A 50 -3.459 -3.300 -5.973 1.00 0.00 N ATOM 764 CZ ARG A 50 -3.846 -3.743 -7.164 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.679 -4.771 -7.253 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.400 -3.158 -8.268 1.00 0.00 N ATOM 0 H ARG A 50 -6.074 -3.965 -0.480 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.120 -5.326 -2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.810 -3.054 -2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.671 -2.500 -1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.952 -1.887 -3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.786 -2.933 -3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.299 -4.767 -4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.933 -4.219 -4.807 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.818 -2.507 -5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.024 -5.223 -6.406 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.975 -5.110 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.759 -2.367 -8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.698 -3.499 -9.182 1.00 0.00 H new ATOM 780 N TRP A 51 -2.719 -4.662 -0.515 1.00 0.00 N ATOM 781 CA TRP A 51 -1.330 -4.952 -0.178 1.00 0.00 C ATOM 782 C TRP A 51 -1.113 -6.451 -0.006 1.00 0.00 C ATOM 783 O TRP A 51 -0.507 -7.102 -0.857 1.00 0.00 O ATOM 784 CB TRP A 51 -0.929 -4.216 1.102 1.00 0.00 C ATOM 785 CG TRP A 51 0.371 -4.690 1.677 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.539 -5.590 2.691 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.684 -4.287 1.274 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.878 -5.770 2.942 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.602 -4.983 2.086 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.175 -3.407 0.306 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.979 -4.824 1.957 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.542 -3.250 0.179 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.431 -3.956 1.001 1.00 0.00 C ATOM 0 H TRP A 51 -3.243 -4.192 0.223 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.703 -4.605 -1.000 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.857 -3.149 0.892 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.715 -4.342 1.847 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.262 -6.087 3.218 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.270 -6.390 3.651 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.498 -2.859 -0.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.666 -5.367 2.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.932 -2.572 -0.566 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.494 -3.812 0.877 1.00 0.00 H new ATOM 804 N TYR A 52 -1.613 -6.994 1.099 1.00 0.00 N ATOM 805 CA TYR A 52 -1.472 -8.417 1.383 1.00 0.00 C ATOM 806 C TYR A 52 -1.993 -9.259 0.222 1.00 0.00 C ATOM 807 O TYR A 52 -1.636 -10.428 0.080 1.00 0.00 O ATOM 808 CB TYR A 52 -2.221 -8.779 2.666 1.00 0.00 C ATOM 809 CG TYR A 52 -1.426 -8.518 3.926 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.261 -9.226 4.195 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.840 -7.563 4.846 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.468 -8.991 5.345 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.116 -7.321 5.998 1.00 0.00 C ATOM 814 CZ TYR A 52 0.036 -8.038 6.243 1.00 0.00 C ATOM 815 OH TYR A 52 0.760 -7.800 7.389 1.00 0.00 O ATOM 0 H TYR A 52 -2.120 -6.470 1.812 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.412 -8.631 1.516 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.149 -8.209 2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.495 -9.833 2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.080 -9.973 3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.743 -7.000 4.658 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.371 -9.551 5.539 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.451 -6.574 6.703 1.00 0.00 H new ATOM 0 HH TYR A 52 0.321 -7.098 7.914 1.00 0.00 H new ATOM 825 N GLU A 53 -2.839 -8.654 -0.606 1.00 0.00 N ATOM 826 CA GLU A 53 -3.410 -9.347 -1.755 1.00 0.00 C ATOM 827 C GLU A 53 -2.325 -9.713 -2.763 1.00 0.00 C ATOM 828 O GLU A 53 -2.098 -10.889 -3.047 1.00 0.00 O ATOM 829 CB GLU A 53 -4.474 -8.476 -2.427 1.00 0.00 C ATOM 830 CG GLU A 53 -5.875 -8.697 -1.882 1.00 0.00 C ATOM 831 CD GLU A 53 -6.932 -7.948 -2.669 1.00 0.00 C ATOM 832 OE1 GLU A 53 -6.823 -6.709 -2.778 1.00 0.00 O ATOM 833 OE2 GLU A 53 -7.868 -8.601 -3.175 1.00 0.00 O ATOM 0 H GLU A 53 -3.144 -7.686 -0.503 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.876 -10.266 -1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.206 -7.427 -2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.474 -8.678 -3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.103 -9.763 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.910 -8.379 -0.840 1.00 0.00 H new ATOM 840 N TRP A 54 -1.659 -8.698 -3.301 1.00 0.00 N ATOM 841 CA TRP A 54 -0.598 -8.912 -4.279 1.00 0.00 C ATOM 842 C TRP A 54 0.711 -8.291 -3.806 1.00 0.00 C ATOM 843 O TRP A 54 1.785 -8.868 -3.988 1.00 0.00 O ATOM 844 CB TRP A 54 -0.997 -8.322 -5.633 1.00 0.00 C ATOM 845 CG TRP A 54 -2.477 -8.333 -5.873 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.307 -7.250 -5.928 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.301 -9.484 -6.088 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.597 -7.658 -6.164 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.620 -9.023 -6.268 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.053 -10.858 -6.149 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.685 -9.889 -6.502 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.111 -11.716 -6.382 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.414 -11.229 -6.557 1.00 0.00 C ATOM 0 H TRP A 54 -1.835 -7.719 -3.077 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.450 -9.986 -4.388 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.634 -7.296 -5.696 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.503 -8.884 -6.426 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.995 -6.224 -5.804 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.407 -7.044 -6.248 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.052 -11.242 -6.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.690 -9.516 -6.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.931 -12.780 -6.430 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.219 -11.925 -6.739 1.00 0.00 H new ATOM 864 N LEU A 55 0.617 -7.113 -3.199 1.00 0.00 N ATOM 865 CA LEU A 55 1.796 -6.414 -2.699 1.00 0.00 C ATOM 866 C LEU A 55 2.166 -6.900 -1.302 1.00 0.00 C ATOM 867 O LEU A 55 1.703 -6.353 -0.300 1.00 0.00 O ATOM 868 CB LEU A 55 1.547 -4.905 -2.677 1.00 0.00 C ATOM 869 CG LEU A 55 0.576 -4.369 -3.730 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.475 -2.854 -3.642 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.012 -4.796 -5.124 1.00 0.00 C ATOM 0 H LEU A 55 -0.263 -6.622 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 55 2.627 -6.629 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.169 -4.634 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.503 -4.397 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.410 -4.790 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.220 -2.491 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.115 -2.570 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.458 -2.413 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.310 -4.406 -5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.008 -4.404 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.031 -5.884 -5.182 1.00 0.00 H new ATOM 883 N ASP A 56 3.004 -7.929 -1.242 1.00 0.00 N ATOM 884 CA ASP A 56 3.439 -8.487 0.033 1.00 0.00 C ATOM 885 C ASP A 56 4.557 -9.505 -0.172 1.00 0.00 C ATOM 886 O ASP A 56 4.544 -10.296 -1.116 1.00 0.00 O ATOM 887 CB ASP A 56 2.262 -9.144 0.756 1.00 0.00 C ATOM 888 CG ASP A 56 2.637 -9.646 2.136 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.120 -10.793 2.239 1.00 0.00 O ATOM 890 OD2 ASP A 56 2.446 -8.892 3.114 1.00 0.00 O ATOM 0 H ASP A 56 3.396 -8.394 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 56 3.822 -7.671 0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.446 -8.426 0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.891 -9.977 0.158 1.00 0.00 H new ATOM 895 N PRO A 57 5.549 -9.486 0.730 1.00 0.00 N ATOM 896 CA PRO A 57 6.693 -10.400 0.668 1.00 0.00 C ATOM 897 C PRO A 57 6.303 -11.840 0.984 1.00 0.00 C ATOM 898 O PRO A 57 6.703 -12.769 0.284 1.00 0.00 O ATOM 899 CB PRO A 57 7.641 -9.855 1.741 1.00 0.00 C ATOM 900 CG PRO A 57 6.755 -9.139 2.700 1.00 0.00 C ATOM 901 CD PRO A 57 5.630 -8.570 1.880 1.00 0.00 C ATOM 0 HA PRO A 57 7.131 -10.437 -0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.188 -10.660 2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.383 -9.183 1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.376 -9.819 3.463 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.299 -8.349 3.218 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.696 -8.546 2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.839 -7.548 1.565 1.00 0.00 H new