USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 707 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 75 THR OG1 : rot -178:sc= 1.17 USER MOD Set 1.2: A 88 GLN : amide:sc= 1.05 K(o=2.2,f=-2.7) USER MOD Set 2.1: A 73 ASN : amide:sc= 1.1 K(o=1.4,f=-5.9!) USER MOD Set 2.2: A 92 SER OG : rot -92:sc= 0.261 USER MOD Single : A 15 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.1) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 21 GLN : amide:sc= -0.051 X(o=-0.051,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0841 K(o=-0.084,f=-2.8!) USER MOD Single : A 40 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-4.5!) USER MOD Single : A 43 ASN : amide:sc= -0.0488 X(o=-0.049,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 150:sc= -0.0547 USER MOD Single : A 51 SER OG : rot -45:sc= 0.144 USER MOD Single : A 64 GLN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 66 ASN : amide:sc= -3.02! C(o=-3!,f=-2.5!) USER MOD Single : A 71 MET CE :methyl -138:sc= -1.13 (180deg=-6.74!) USER MOD Single : A 77 MET CE :methyl -154:sc= -3.8 (180deg=-5.36!) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -1.11 F(o=-2.8!,f=-1.1) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.288 K(o=-0.29,f=-2.3!) USER MOD Single : A 91 LYS NZ :NH3+ -120:sc=-0.00271 (180deg=-0.811) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N ILE A 12 -7.894 -6.503 -8.278 1.00 0.00 N ATOM 130 CA ILE A 12 -6.998 -5.522 -8.878 1.00 0.00 C ATOM 131 C ILE A 12 -6.204 -4.777 -7.810 1.00 0.00 C ATOM 132 O ILE A 12 -6.734 -3.899 -7.129 1.00 0.00 O ATOM 133 CB ILE A 12 -7.772 -4.501 -9.733 1.00 0.00 C ATOM 134 CG1 ILE A 12 -8.783 -5.217 -10.630 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.808 -3.672 -10.568 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.582 -4.280 -11.508 1.00 0.00 C ATOM 0 HA ILE A 12 -6.311 -6.073 -9.520 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.316 -3.830 -9.068 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.254 -5.931 -11.261 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.469 -5.790 -10.006 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.369 -2.955 -11.167 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.123 -3.138 -9.910 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.240 -4.329 -11.227 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.278 -4.857 -12.117 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.139 -3.582 -10.883 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.906 -3.725 -12.158 1.00 0.00 H new ATOM 148 N TRP A 13 -4.932 -5.132 -7.671 1.00 0.00 N ATOM 149 CA TRP A 13 -4.064 -4.495 -6.687 1.00 0.00 C ATOM 150 C TRP A 13 -3.564 -3.147 -7.194 1.00 0.00 C ATOM 151 O TRP A 13 -2.701 -3.085 -8.069 1.00 0.00 O ATOM 152 CB TRP A 13 -2.878 -5.403 -6.359 1.00 0.00 C ATOM 153 CG TRP A 13 -3.266 -6.636 -5.601 1.00 0.00 C ATOM 154 CD1 TRP A 13 -3.844 -7.764 -6.111 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.105 -6.865 -4.197 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.052 -8.680 -5.109 1.00 0.00 N ATOM 157 CE2 TRP A 13 -3.607 -8.153 -3.925 1.00 0.00 C ATOM 158 CE3 TRP A 13 -2.584 -6.109 -3.144 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -3.603 -8.698 -2.644 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -2.581 -6.651 -1.873 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.087 -7.935 -1.631 1.00 0.00 C ATOM 0 H TRP A 13 -4.479 -5.857 -8.227 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.645 -4.328 -5.780 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.386 -5.695 -7.287 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.149 -4.840 -5.775 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.100 -7.913 -7.150 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.470 -9.603 -5.227 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.191 -5.119 -3.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -3.993 -9.687 -2.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.182 -6.075 -1.052 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.070 -8.330 -0.626 1.00 0.00 H new ATOM 172 N GLU A 14 -4.111 -2.070 -6.639 1.00 0.00 N ATOM 173 CA GLU A 14 -3.719 -0.723 -7.037 1.00 0.00 C ATOM 174 C GLU A 14 -2.673 -0.156 -6.081 1.00 0.00 C ATOM 175 O GLU A 14 -2.787 -0.301 -4.864 1.00 0.00 O ATOM 176 CB GLU A 14 -4.941 0.197 -7.078 1.00 0.00 C ATOM 177 CG GLU A 14 -6.150 -0.427 -7.754 1.00 0.00 C ATOM 178 CD GLU A 14 -7.058 0.605 -8.393 1.00 0.00 C ATOM 179 OE1 GLU A 14 -6.802 0.981 -9.556 1.00 0.00 O ATOM 180 OE2 GLU A 14 -8.025 1.036 -7.731 1.00 0.00 O ATOM 0 H GLU A 14 -4.827 -2.104 -5.913 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.282 -0.779 -8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.209 0.477 -6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.676 1.116 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.813 -1.130 -8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.717 -0.999 -7.020 1.00 0.00 H new ATOM 187 N GLN A 15 -1.655 0.489 -6.642 1.00 0.00 N ATOM 188 CA GLN A 15 -0.589 1.077 -5.839 1.00 0.00 C ATOM 189 C GLN A 15 -0.877 2.545 -5.543 1.00 0.00 C ATOM 190 O GLN A 15 -1.601 3.209 -6.286 1.00 0.00 O ATOM 191 CB GLN A 15 0.753 0.944 -6.561 1.00 0.00 C ATOM 192 CG GLN A 15 1.499 -0.337 -6.227 1.00 0.00 C ATOM 193 CD GLN A 15 2.371 -0.820 -7.369 1.00 0.00 C ATOM 194 OE1 GLN A 15 1.999 -0.711 -8.538 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.539 -1.357 -7.037 1.00 0.00 N ATOM 0 H GLN A 15 -1.546 0.618 -7.648 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.540 0.538 -4.893 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.583 0.986 -7.637 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.380 1.798 -6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.119 -0.172 -5.346 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.780 -1.115 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.807 -1.428 -6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.168 -1.699 -7.764 1.00 0.00 H new ATOM 204 N TYR A 16 -0.307 3.046 -4.452 1.00 0.00 N ATOM 205 CA TYR A 16 -0.505 4.435 -4.056 1.00 0.00 C ATOM 206 C TYR A 16 0.779 5.025 -3.480 1.00 0.00 C ATOM 207 O TYR A 16 1.200 4.672 -2.378 1.00 0.00 O ATOM 208 CB TYR A 16 -1.633 4.538 -3.028 1.00 0.00 C ATOM 209 CG TYR A 16 -2.963 4.027 -3.534 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.195 2.665 -3.683 1.00 0.00 C ATOM 211 CD2 TYR A 16 -3.987 4.906 -3.865 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.408 2.194 -4.146 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.203 4.443 -4.327 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.409 3.086 -4.467 1.00 0.00 C ATOM 215 OH TYR A 16 -6.619 2.622 -4.928 1.00 0.00 O ATOM 0 H TYR A 16 0.295 2.511 -3.827 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.779 5.004 -4.944 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.353 3.977 -2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.744 5.580 -2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.414 1.963 -3.433 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.829 5.969 -3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.572 1.132 -4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.989 5.140 -4.578 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.214 3.380 -5.107 1.00 0.00 H new ATOM 225 N THR A 17 1.397 5.928 -4.235 1.00 0.00 N ATOM 226 CA THR A 17 2.633 6.569 -3.802 1.00 0.00 C ATOM 227 C THR A 17 2.347 7.860 -3.044 1.00 0.00 C ATOM 228 O THR A 17 2.054 8.893 -3.647 1.00 0.00 O ATOM 229 CB THR A 17 3.552 6.881 -4.997 1.00 0.00 C ATOM 230 OG1 THR A 17 3.692 5.720 -5.824 1.00 0.00 O ATOM 231 CG2 THR A 17 4.923 7.338 -4.521 1.00 0.00 C ATOM 0 H THR A 17 1.062 6.232 -5.149 1.00 0.00 H new ATOM 0 HA THR A 17 3.138 5.866 -3.139 1.00 0.00 H new ATOM 0 HB THR A 17 3.098 7.686 -5.575 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.277 5.927 -6.583 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.555 7.553 -5.383 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.817 8.238 -3.916 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.381 6.551 -3.922 1.00 0.00 H new ATOM 239 N VAL A 18 2.434 7.796 -1.720 1.00 0.00 N ATOM 240 CA VAL A 18 2.186 8.961 -0.880 1.00 0.00 C ATOM 241 C VAL A 18 3.378 9.250 0.025 1.00 0.00 C ATOM 242 O VAL A 18 4.047 8.333 0.503 1.00 0.00 O ATOM 243 CB VAL A 18 0.930 8.769 -0.009 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.326 9.092 -0.805 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.874 7.351 0.539 1.00 0.00 C ATOM 0 H VAL A 18 2.675 6.949 -1.205 1.00 0.00 H new ATOM 0 HA VAL A 18 2.029 9.806 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 18 0.984 9.458 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.203 8.951 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.286 10.127 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.390 8.430 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.020 7.233 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.843 6.642 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.759 7.161 1.147 1.00 0.00 H new ATOM 255 N THR A 19 3.640 10.532 0.259 1.00 0.00 N ATOM 256 CA THR A 19 4.753 10.943 1.106 1.00 0.00 C ATOM 257 C THR A 19 4.254 11.523 2.425 1.00 0.00 C ATOM 258 O THR A 19 3.342 12.351 2.445 1.00 0.00 O ATOM 259 CB THR A 19 5.640 11.987 0.402 1.00 0.00 C ATOM 260 OG1 THR A 19 4.874 12.703 -0.573 1.00 0.00 O ATOM 261 CG2 THR A 19 6.830 11.320 -0.271 1.00 0.00 C ATOM 0 H THR A 19 3.096 11.304 -0.126 1.00 0.00 H new ATOM 0 HA THR A 19 5.345 10.050 1.305 1.00 0.00 H new ATOM 0 HB THR A 19 6.011 12.683 1.154 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.445 13.366 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.442 12.077 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.427 10.800 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.475 10.604 -1.012 1.00 0.00 H new ATOM 269 N LEU A 20 4.858 11.086 3.524 1.00 0.00 N ATOM 270 CA LEU A 20 4.476 11.563 4.848 1.00 0.00 C ATOM 271 C LEU A 20 5.532 12.509 5.412 1.00 0.00 C ATOM 272 O LEU A 20 6.680 12.505 4.971 1.00 0.00 O ATOM 273 CB LEU A 20 4.273 10.382 5.799 1.00 0.00 C ATOM 274 CG LEU A 20 3.591 9.150 5.202 1.00 0.00 C ATOM 275 CD1 LEU A 20 4.073 7.885 5.895 1.00 0.00 C ATOM 276 CD2 LEU A 20 2.078 9.275 5.309 1.00 0.00 C ATOM 0 H LEU A 20 5.615 10.402 3.524 1.00 0.00 H new ATOM 0 HA LEU A 20 3.538 12.110 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.247 10.082 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.683 10.723 6.649 1.00 0.00 H new ATOM 0 HG LEU A 20 3.857 9.086 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.577 7.019 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.151 7.789 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.837 7.940 6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.609 8.390 4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.794 9.364 6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.747 10.161 4.767 1.00 0.00 H new ATOM 288 N GLN A 21 5.134 13.315 6.391 1.00 0.00 N ATOM 289 CA GLN A 21 6.047 14.264 7.016 1.00 0.00 C ATOM 290 C GLN A 21 6.307 13.892 8.473 1.00 0.00 C ATOM 291 O GLN A 21 5.374 13.741 9.262 1.00 0.00 O ATOM 292 CB GLN A 21 5.479 15.682 6.933 1.00 0.00 C ATOM 293 CG GLN A 21 5.168 16.130 5.514 1.00 0.00 C ATOM 294 CD GLN A 21 4.811 17.602 5.432 1.00 0.00 C ATOM 295 OE1 GLN A 21 3.637 17.971 5.476 1.00 0.00 O ATOM 296 NE2 GLN A 21 5.825 18.451 5.313 1.00 0.00 N ATOM 0 H GLN A 21 4.186 13.330 6.768 1.00 0.00 H new ATOM 0 HA GLN A 21 6.993 14.227 6.476 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.569 15.735 7.530 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.192 16.377 7.377 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.031 15.933 4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.341 15.537 5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.782 18.101 5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.647 19.454 5.254 1.00 0.00 H new ATOM 305 N LYS A 22 7.580 13.746 8.823 1.00 0.00 N ATOM 306 CA LYS A 22 7.963 13.392 10.185 1.00 0.00 C ATOM 307 C LYS A 22 7.434 14.417 11.183 1.00 0.00 C ATOM 308 O LYS A 22 8.121 15.381 11.520 1.00 0.00 O ATOM 309 CB LYS A 22 9.486 13.294 10.298 1.00 0.00 C ATOM 310 CG LYS A 22 9.955 12.273 11.320 1.00 0.00 C ATOM 311 CD LYS A 22 11.275 11.640 10.912 1.00 0.00 C ATOM 312 CE LYS A 22 11.560 10.380 11.713 1.00 0.00 C ATOM 313 NZ LYS A 22 12.345 10.671 12.945 1.00 0.00 N ATOM 0 H LYS A 22 8.364 13.867 8.182 1.00 0.00 H new ATOM 0 HA LYS A 22 7.523 12.423 10.419 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.899 13.035 9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.886 14.272 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.066 12.754 12.292 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.198 11.497 11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.251 11.399 9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.084 12.356 11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.619 9.903 11.986 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.108 9.671 11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.519 9.786 13.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.254 11.103 12.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.811 11.327 13.550 1.00 0.00 H new ATOM 327 N ASP A 23 6.210 14.202 11.652 1.00 0.00 N ATOM 328 CA ASP A 23 5.590 15.106 12.613 1.00 0.00 C ATOM 329 C ASP A 23 6.514 15.352 13.802 1.00 0.00 C ATOM 330 O ASP A 23 7.658 14.898 13.816 1.00 0.00 O ATOM 331 CB ASP A 23 4.257 14.533 13.098 1.00 0.00 C ATOM 332 CG ASP A 23 3.296 15.611 13.557 1.00 0.00 C ATOM 333 OD1 ASP A 23 2.843 16.404 12.705 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.996 15.663 14.769 1.00 0.00 O ATOM 0 H ASP A 23 5.628 13.409 11.382 1.00 0.00 H new ATOM 0 HA ASP A 23 5.408 16.058 12.114 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.797 13.959 12.293 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.440 13.840 13.919 1.00 0.00 H new ATOM 339 N SER A 24 6.009 16.075 14.797 1.00 0.00 N ATOM 340 CA SER A 24 6.791 16.386 15.988 1.00 0.00 C ATOM 341 C SER A 24 7.563 15.160 16.467 1.00 0.00 C ATOM 342 O SER A 24 8.768 15.044 16.243 1.00 0.00 O ATOM 343 CB SER A 24 5.878 16.896 17.105 1.00 0.00 C ATOM 344 OG SER A 24 6.606 17.110 18.301 1.00 0.00 O ATOM 0 H SER A 24 5.063 16.456 14.802 1.00 0.00 H new ATOM 0 HA SER A 24 7.507 17.166 15.729 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.402 17.826 16.794 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.081 16.175 17.285 1.00 0.00 H new ATOM 0 HG SER A 24 6.000 17.437 18.999 1.00 0.00 H new ATOM 350 N LYS A 25 6.860 14.247 17.128 1.00 0.00 N ATOM 351 CA LYS A 25 7.476 13.028 17.638 1.00 0.00 C ATOM 352 C LYS A 25 6.950 11.802 16.899 1.00 0.00 C ATOM 353 O LYS A 25 7.726 10.973 16.423 1.00 0.00 O ATOM 354 CB LYS A 25 7.208 12.887 19.138 1.00 0.00 C ATOM 355 CG LYS A 25 8.161 13.692 20.005 1.00 0.00 C ATOM 356 CD LYS A 25 9.445 12.928 20.281 1.00 0.00 C ATOM 357 CE LYS A 25 10.101 13.388 21.573 1.00 0.00 C ATOM 358 NZ LYS A 25 10.657 14.764 21.454 1.00 0.00 N ATOM 0 H LYS A 25 5.862 14.328 17.323 1.00 0.00 H new ATOM 0 HA LYS A 25 8.551 13.096 17.472 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.186 13.202 19.347 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.280 11.835 19.414 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.397 14.634 19.510 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.674 13.940 20.948 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.229 11.861 20.341 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.138 13.067 19.451 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.370 13.360 22.381 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.899 12.696 21.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.095 15.040 22.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.373 14.785 20.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.891 15.429 21.223 1.00 0.00 H new ATOM 372 N ARG A 26 5.629 11.694 16.806 1.00 0.00 N ATOM 373 CA ARG A 26 5.000 10.569 16.125 1.00 0.00 C ATOM 374 C ARG A 26 5.635 10.339 14.757 1.00 0.00 C ATOM 375 O ARG A 26 5.513 9.260 14.178 1.00 0.00 O ATOM 376 CB ARG A 26 3.499 10.815 15.967 1.00 0.00 C ATOM 377 CG ARG A 26 2.693 10.486 17.213 1.00 0.00 C ATOM 378 CD ARG A 26 2.299 9.018 17.250 1.00 0.00 C ATOM 379 NE ARG A 26 1.734 8.635 18.541 1.00 0.00 N ATOM 380 CZ ARG A 26 2.459 8.482 19.644 1.00 0.00 C ATOM 381 NH1 ARG A 26 3.770 8.678 19.612 1.00 0.00 N ATOM 382 NH2 ARG A 26 1.872 8.132 20.781 1.00 0.00 N ATOM 0 H ARG A 26 4.973 12.372 17.194 1.00 0.00 H new ATOM 0 HA ARG A 26 5.153 9.677 16.733 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.336 11.861 15.705 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.127 10.217 15.135 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.277 10.729 18.100 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.796 11.105 17.242 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.572 8.818 16.463 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.174 8.403 17.040 1.00 0.00 H new ATOM 0 HE ARG A 26 0.728 8.476 18.599 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.224 8.947 18.739 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.324 8.560 20.460 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.864 7.980 20.809 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.429 8.015 21.627 1.00 0.00 H new ATOM 396 N GLY A 27 6.314 11.361 14.245 1.00 0.00 N ATOM 397 CA GLY A 27 6.957 11.250 12.949 1.00 0.00 C ATOM 398 C GLY A 27 5.981 10.895 11.845 1.00 0.00 C ATOM 399 O GLY A 27 5.166 11.722 11.437 1.00 0.00 O ATOM 0 H GLY A 27 6.430 12.264 14.705 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.446 12.194 12.708 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.737 10.490 12.998 1.00 0.00 H new ATOM 403 N PHE A 28 6.063 9.661 11.359 1.00 0.00 N ATOM 404 CA PHE A 28 5.181 9.198 10.294 1.00 0.00 C ATOM 405 C PHE A 28 3.885 8.633 10.868 1.00 0.00 C ATOM 406 O PHE A 28 3.043 8.116 10.135 1.00 0.00 O ATOM 407 CB PHE A 28 5.884 8.135 9.447 1.00 0.00 C ATOM 408 CG PHE A 28 7.175 8.608 8.842 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.308 9.911 8.391 1.00 0.00 C ATOM 410 CD2 PHE A 28 8.255 7.748 8.724 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.494 10.348 7.833 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.444 8.180 8.167 1.00 0.00 C ATOM 413 CZ PHE A 28 9.564 9.482 7.722 1.00 0.00 C ATOM 0 H PHE A 28 6.731 8.963 11.686 1.00 0.00 H new ATOM 0 HA PHE A 28 4.936 10.052 9.662 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.081 7.260 10.067 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.214 7.816 8.649 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.475 10.593 8.477 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.167 6.729 9.071 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.584 11.366 7.484 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.279 7.500 8.080 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.493 9.822 7.288 1.00 0.00 H new ATOM 423 N GLY A 29 3.734 8.735 12.185 1.00 0.00 N ATOM 424 CA GLY A 29 2.540 8.229 12.836 1.00 0.00 C ATOM 425 C GLY A 29 2.002 6.978 12.169 1.00 0.00 C ATOM 426 O GLY A 29 0.867 6.961 11.691 1.00 0.00 O ATOM 0 H GLY A 29 4.417 9.159 12.813 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.763 8.013 13.881 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.771 9.001 12.828 1.00 0.00 H new ATOM 430 N ILE A 30 2.817 5.930 12.136 1.00 0.00 N ATOM 431 CA ILE A 30 2.417 4.670 11.523 1.00 0.00 C ATOM 432 C ILE A 30 3.140 3.491 12.166 1.00 0.00 C ATOM 433 O ILE A 30 4.236 3.641 12.704 1.00 0.00 O ATOM 434 CB ILE A 30 2.699 4.666 10.009 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.110 5.186 9.729 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.664 5.506 9.275 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.742 4.585 8.493 1.00 0.00 C ATOM 0 H ILE A 30 3.759 5.928 12.527 1.00 0.00 H new ATOM 0 HA ILE A 30 1.344 4.567 11.685 1.00 0.00 H new ATOM 0 HB ILE A 30 2.631 3.641 9.645 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.074 6.270 9.618 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.744 4.975 10.590 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.877 5.493 8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.670 5.095 9.452 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.703 6.532 9.640 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.741 5.000 8.357 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.811 3.503 8.609 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.130 4.818 7.621 1.00 0.00 H new ATOM 449 N ALA A 31 2.518 2.318 12.104 1.00 0.00 N ATOM 450 CA ALA A 31 3.104 1.112 12.677 1.00 0.00 C ATOM 451 C ALA A 31 2.868 -0.094 11.774 1.00 0.00 C ATOM 452 O ALA A 31 1.726 -0.457 11.491 1.00 0.00 O ATOM 453 CB ALA A 31 2.533 0.856 14.064 1.00 0.00 C ATOM 0 H ALA A 31 1.609 2.177 11.663 1.00 0.00 H new ATOM 0 HA ALA A 31 4.180 1.264 12.762 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.979 -0.047 14.480 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.758 1.703 14.712 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.453 0.728 13.995 1.00 0.00 H new ATOM 459 N VAL A 32 3.956 -0.713 11.325 1.00 0.00 N ATOM 460 CA VAL A 32 3.867 -1.880 10.455 1.00 0.00 C ATOM 461 C VAL A 32 3.919 -3.172 11.262 1.00 0.00 C ATOM 462 O VAL A 32 4.404 -3.190 12.393 1.00 0.00 O ATOM 463 CB VAL A 32 5.002 -1.891 9.414 1.00 0.00 C ATOM 464 CG1 VAL A 32 4.848 -0.730 8.443 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.357 -1.843 10.103 1.00 0.00 C ATOM 0 H VAL A 32 4.909 -0.426 11.549 1.00 0.00 H new ATOM 0 HA VAL A 32 2.910 -1.817 9.937 1.00 0.00 H new ATOM 0 HB VAL A 32 4.941 -2.819 8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.659 -0.754 7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.893 -0.813 7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.882 0.211 8.992 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.147 -1.851 9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.431 -0.932 10.697 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.465 -2.711 10.754 1.00 0.00 H new ATOM 475 N SER A 33 3.418 -4.252 10.671 1.00 0.00 N ATOM 476 CA SER A 33 3.405 -5.550 11.336 1.00 0.00 C ATOM 477 C SER A 33 3.840 -6.656 10.379 1.00 0.00 C ATOM 478 O SER A 33 4.080 -6.410 9.198 1.00 0.00 O ATOM 479 CB SER A 33 2.008 -5.853 11.882 1.00 0.00 C ATOM 480 OG SER A 33 1.209 -6.501 10.908 1.00 0.00 O ATOM 0 H SER A 33 3.016 -4.254 9.734 1.00 0.00 H new ATOM 0 HA SER A 33 4.112 -5.512 12.165 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.089 -6.483 12.768 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.527 -4.926 12.193 1.00 0.00 H new ATOM 0 HG SER A 33 0.322 -6.685 11.282 1.00 0.00 H new ATOM 486 N GLY A 34 3.939 -7.875 10.900 1.00 0.00 N ATOM 487 CA GLY A 34 4.345 -9.001 10.079 1.00 0.00 C ATOM 488 C GLY A 34 5.813 -9.342 10.247 1.00 0.00 C ATOM 489 O GLY A 34 6.363 -9.222 11.341 1.00 0.00 O ATOM 0 H GLY A 34 3.746 -8.103 11.875 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.741 -9.871 10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.146 -8.774 9.032 1.00 0.00 H new ATOM 493 N GLY A 35 6.448 -9.771 9.161 1.00 0.00 N ATOM 494 CA GLY A 35 7.854 -10.126 9.215 1.00 0.00 C ATOM 495 C GLY A 35 8.143 -11.453 8.542 1.00 0.00 C ATOM 496 O GLY A 35 7.383 -12.410 8.690 1.00 0.00 O ATOM 0 H GLY A 35 6.014 -9.879 8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.442 -9.343 8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.174 -10.173 10.256 1.00 0.00 H new ATOM 500 N ARG A 36 9.244 -11.510 7.799 1.00 0.00 N ATOM 501 CA ARG A 36 9.630 -12.729 7.098 1.00 0.00 C ATOM 502 C ARG A 36 9.931 -13.852 8.086 1.00 0.00 C ATOM 503 O ARG A 36 9.671 -15.023 7.808 1.00 0.00 O ATOM 504 CB ARG A 36 10.853 -12.470 6.216 1.00 0.00 C ATOM 505 CG ARG A 36 12.154 -12.363 6.995 1.00 0.00 C ATOM 506 CD ARG A 36 13.330 -12.073 6.077 1.00 0.00 C ATOM 507 NE ARG A 36 14.601 -12.485 6.668 1.00 0.00 N ATOM 508 CZ ARG A 36 14.913 -13.749 6.932 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.051 -14.719 6.658 1.00 0.00 N ATOM 510 NH2 ARG A 36 16.089 -14.045 7.470 1.00 0.00 N ATOM 0 H ARG A 36 9.884 -10.727 7.667 1.00 0.00 H new ATOM 0 HA ARG A 36 8.795 -13.036 6.468 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.941 -13.275 5.486 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.698 -11.548 5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.069 -11.572 7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.333 -13.292 7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.186 -12.591 5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.362 -11.006 5.855 1.00 0.00 H new ATOM 0 HE ARG A 36 15.286 -11.763 6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.146 -14.495 6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.293 -15.689 6.862 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.755 -13.302 7.681 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.327 -15.016 7.672 1.00 0.00 H new ATOM 524 N ASP A 37 10.479 -13.487 9.240 1.00 0.00 N ATOM 525 CA ASP A 37 10.815 -14.463 10.269 1.00 0.00 C ATOM 526 C ASP A 37 9.786 -14.441 11.396 1.00 0.00 C ATOM 527 O ASP A 37 9.583 -15.440 12.084 1.00 0.00 O ATOM 528 CB ASP A 37 12.210 -14.185 10.830 1.00 0.00 C ATOM 529 CG ASP A 37 12.809 -15.396 11.519 1.00 0.00 C ATOM 530 OD1 ASP A 37 12.549 -16.528 11.060 1.00 0.00 O ATOM 531 OD2 ASP A 37 13.538 -15.212 12.516 1.00 0.00 O ATOM 0 H ASP A 37 10.700 -12.522 9.486 1.00 0.00 H new ATOM 0 HA ASP A 37 10.806 -15.453 9.813 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.868 -13.869 10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.156 -13.358 11.538 1.00 0.00 H new ATOM 536 N ASN A 38 9.141 -13.293 11.578 1.00 0.00 N ATOM 537 CA ASN A 38 8.134 -13.140 12.622 1.00 0.00 C ATOM 538 C ASN A 38 6.882 -12.462 12.075 1.00 0.00 C ATOM 539 O ASN A 38 6.517 -11.357 12.478 1.00 0.00 O ATOM 540 CB ASN A 38 8.699 -12.327 13.789 1.00 0.00 C ATOM 541 CG ASN A 38 9.569 -13.163 14.708 1.00 0.00 C ATOM 542 OD1 ASN A 38 10.493 -13.841 14.260 1.00 0.00 O ATOM 543 ND2 ASN A 38 9.274 -13.118 16.002 1.00 0.00 N ATOM 0 H ASN A 38 9.298 -12.456 11.017 1.00 0.00 H new ATOM 0 HA ASN A 38 7.862 -14.134 12.978 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.283 -11.494 13.399 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.876 -11.899 14.362 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.823 -13.660 16.669 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.498 -12.542 16.329 1.00 0.00 H new ATOM 550 N PRO A 39 6.206 -13.138 11.134 1.00 0.00 N ATOM 551 CA PRO A 39 4.983 -12.622 10.512 1.00 0.00 C ATOM 552 C PRO A 39 3.806 -12.598 11.481 1.00 0.00 C ATOM 553 O PRO A 39 3.056 -13.569 11.587 1.00 0.00 O ATOM 554 CB PRO A 39 4.719 -13.610 9.374 1.00 0.00 C ATOM 555 CG PRO A 39 5.376 -14.874 9.809 1.00 0.00 C ATOM 556 CD PRO A 39 6.583 -14.460 10.606 1.00 0.00 C ATOM 0 HA PRO A 39 5.099 -11.590 10.180 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.650 -13.754 9.215 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.136 -13.251 8.433 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.699 -15.478 10.412 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.664 -15.480 8.950 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.797 -15.167 11.408 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.476 -14.404 9.983 1.00 0.00 H new ATOM 564 N HIS A 40 3.647 -11.482 12.185 1.00 0.00 N ATOM 565 CA HIS A 40 2.559 -11.331 13.145 1.00 0.00 C ATOM 566 C HIS A 40 1.215 -11.649 12.496 1.00 0.00 C ATOM 567 O HIS A 40 0.353 -12.281 13.107 1.00 0.00 O ATOM 568 CB HIS A 40 2.542 -9.911 13.711 1.00 0.00 C ATOM 569 CG HIS A 40 1.318 -9.601 14.515 1.00 0.00 C ATOM 570 ND1 HIS A 40 0.039 -9.711 14.012 1.00 0.00 N ATOM 571 CD2 HIS A 40 1.182 -9.184 15.796 1.00 0.00 C ATOM 572 CE1 HIS A 40 -0.831 -9.373 14.947 1.00 0.00 C ATOM 573 NE2 HIS A 40 -0.163 -9.050 16.040 1.00 0.00 N ATOM 0 H HIS A 40 4.258 -10.669 12.109 1.00 0.00 H new ATOM 0 HA HIS A 40 2.726 -12.036 13.960 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.423 -9.768 14.336 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.616 -9.200 12.888 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.982 -8.992 16.496 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.905 -9.363 14.837 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.579 -8.750 16.922 1.00 0.00 H new ATOM 582 N PHE A 41 1.042 -11.205 11.255 1.00 0.00 N ATOM 583 CA PHE A 41 -0.197 -11.440 10.525 1.00 0.00 C ATOM 584 C PHE A 41 -0.805 -12.787 10.904 1.00 0.00 C ATOM 585 O PHE A 41 -0.319 -13.838 10.489 1.00 0.00 O ATOM 586 CB PHE A 41 0.057 -11.390 9.017 1.00 0.00 C ATOM 587 CG PHE A 41 -1.129 -10.921 8.224 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.189 -11.775 7.966 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.183 -9.625 7.735 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.282 -11.346 7.237 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.274 -9.191 7.006 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.324 -10.053 6.755 1.00 0.00 C ATOM 0 H PHE A 41 1.745 -10.680 10.734 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.902 -10.654 10.795 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.900 -10.728 8.821 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.345 -12.383 8.672 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.161 -12.788 8.339 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.364 -8.947 7.926 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.102 -12.022 7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.306 -8.178 6.633 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.176 -9.716 6.183 1.00 0.00 H new ATOM 602 N GLU A 42 -1.871 -12.745 11.698 1.00 0.00 N ATOM 603 CA GLU A 42 -2.545 -13.962 12.135 1.00 0.00 C ATOM 604 C GLU A 42 -2.488 -15.035 11.051 1.00 0.00 C ATOM 605 O GLU A 42 -2.122 -16.179 11.314 1.00 0.00 O ATOM 606 CB GLU A 42 -4.002 -13.664 12.497 1.00 0.00 C ATOM 607 CG GLU A 42 -4.745 -12.879 11.429 1.00 0.00 C ATOM 608 CD GLU A 42 -5.331 -13.771 10.351 1.00 0.00 C ATOM 609 OE1 GLU A 42 -5.586 -14.959 10.637 1.00 0.00 O ATOM 610 OE2 GLU A 42 -5.534 -13.279 9.221 1.00 0.00 O ATOM 0 H GLU A 42 -2.286 -11.883 12.051 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.028 -14.335 13.019 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.524 -14.605 12.674 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.028 -13.104 13.432 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.546 -12.306 11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.064 -12.161 10.971 1.00 0.00 H new ATOM 617 N ASN A 43 -2.855 -14.655 9.831 1.00 0.00 N ATOM 618 CA ASN A 43 -2.847 -15.584 8.707 1.00 0.00 C ATOM 619 C ASN A 43 -1.453 -16.167 8.493 1.00 0.00 C ATOM 620 O ASN A 43 -1.296 -17.373 8.305 1.00 0.00 O ATOM 621 CB ASN A 43 -3.319 -14.880 7.433 1.00 0.00 C ATOM 622 CG ASN A 43 -3.839 -15.853 6.393 1.00 0.00 C ATOM 623 OD1 ASN A 43 -3.322 -15.923 5.278 1.00 0.00 O ATOM 624 ND2 ASN A 43 -4.868 -16.610 6.754 1.00 0.00 N ATOM 0 H ASN A 43 -3.161 -13.711 9.596 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.531 -16.400 8.938 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.105 -14.168 7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.493 -14.308 7.010 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.261 -17.283 6.096 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.265 -16.518 7.689 1.00 0.00 H new ATOM 631 N GLY A 44 -0.445 -15.302 8.522 1.00 0.00 N ATOM 632 CA GLY A 44 0.923 -15.749 8.330 1.00 0.00 C ATOM 633 C GLY A 44 1.581 -15.102 7.128 1.00 0.00 C ATOM 634 O GLY A 44 2.545 -15.635 6.580 1.00 0.00 O ATOM 0 H GLY A 44 -0.550 -14.299 8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.504 -15.523 9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.934 -16.832 8.207 1.00 0.00 H new ATOM 638 N GLU A 45 1.058 -13.952 6.716 1.00 0.00 N ATOM 639 CA GLU A 45 1.600 -13.234 5.568 1.00 0.00 C ATOM 640 C GLU A 45 2.879 -12.492 5.946 1.00 0.00 C ATOM 641 O GLU A 45 2.915 -11.752 6.930 1.00 0.00 O ATOM 642 CB GLU A 45 0.567 -12.247 5.021 1.00 0.00 C ATOM 643 CG GLU A 45 0.866 -11.774 3.609 1.00 0.00 C ATOM 644 CD GLU A 45 0.246 -12.666 2.551 1.00 0.00 C ATOM 645 OE1 GLU A 45 -0.965 -12.514 2.283 1.00 0.00 O ATOM 646 OE2 GLU A 45 0.970 -13.516 1.992 1.00 0.00 O ATOM 0 H GLU A 45 0.260 -13.497 7.160 1.00 0.00 H new ATOM 0 HA GLU A 45 1.839 -13.964 4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.416 -12.717 5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.518 -11.382 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.495 -10.757 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.946 -11.739 3.462 1.00 0.00 H new ATOM 653 N THR A 46 3.930 -12.696 5.157 1.00 0.00 N ATOM 654 CA THR A 46 5.211 -12.049 5.408 1.00 0.00 C ATOM 655 C THR A 46 5.324 -10.736 4.642 1.00 0.00 C ATOM 656 O THR A 46 6.339 -10.465 4.001 1.00 0.00 O ATOM 657 CB THR A 46 6.388 -12.962 5.015 1.00 0.00 C ATOM 658 OG1 THR A 46 6.250 -13.380 3.653 1.00 0.00 O ATOM 659 CG2 THR A 46 6.452 -14.182 5.922 1.00 0.00 C ATOM 0 H THR A 46 3.918 -13.305 4.339 1.00 0.00 H new ATOM 0 HA THR A 46 5.258 -11.847 6.478 1.00 0.00 H new ATOM 0 HB THR A 46 7.312 -12.396 5.128 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.003 -13.959 3.410 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.291 -14.812 5.626 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.587 -13.861 6.955 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.525 -14.748 5.836 1.00 0.00 H new ATOM 667 N SER A 47 4.274 -9.923 4.712 1.00 0.00 N ATOM 668 CA SER A 47 4.255 -8.639 4.022 1.00 0.00 C ATOM 669 C SER A 47 4.033 -7.496 5.008 1.00 0.00 C ATOM 670 O SER A 47 3.053 -7.485 5.753 1.00 0.00 O ATOM 671 CB SER A 47 3.159 -8.626 2.955 1.00 0.00 C ATOM 672 OG SER A 47 3.508 -7.777 1.875 1.00 0.00 O ATOM 0 H SER A 47 3.426 -10.131 5.239 1.00 0.00 H new ATOM 0 HA SER A 47 5.223 -8.499 3.541 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.994 -9.639 2.587 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.221 -8.290 3.397 1.00 0.00 H new ATOM 0 HG SER A 47 3.103 -8.115 1.049 1.00 0.00 H new ATOM 678 N ILE A 48 4.952 -6.535 5.006 1.00 0.00 N ATOM 679 CA ILE A 48 4.857 -5.387 5.899 1.00 0.00 C ATOM 680 C ILE A 48 3.582 -4.592 5.639 1.00 0.00 C ATOM 681 O ILE A 48 3.471 -3.886 4.636 1.00 0.00 O ATOM 682 CB ILE A 48 6.072 -4.453 5.745 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.373 -5.240 5.910 1.00 0.00 C ATOM 684 CG2 ILE A 48 6.000 -3.320 6.758 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.553 -5.827 7.293 1.00 0.00 C ATOM 0 H ILE A 48 5.770 -6.529 4.396 1.00 0.00 H new ATOM 0 HA ILE A 48 4.836 -5.779 6.916 1.00 0.00 H new ATOM 0 HB ILE A 48 6.055 -4.022 4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.396 -6.046 5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.215 -4.584 5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.865 -2.668 6.637 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.088 -2.746 6.597 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.995 -3.733 7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.496 -6.371 7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.562 -5.024 8.031 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.730 -6.509 7.509 1.00 0.00 H new ATOM 697 N VAL A 49 2.621 -4.710 6.550 1.00 0.00 N ATOM 698 CA VAL A 49 1.354 -4.000 6.421 1.00 0.00 C ATOM 699 C VAL A 49 1.143 -3.037 7.584 1.00 0.00 C ATOM 700 O VAL A 49 1.456 -3.356 8.731 1.00 0.00 O ATOM 701 CB VAL A 49 0.167 -4.978 6.356 1.00 0.00 C ATOM 702 CG1 VAL A 49 -0.152 -5.337 4.913 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.461 -6.228 7.172 1.00 0.00 C ATOM 0 H VAL A 49 2.696 -5.291 7.385 1.00 0.00 H new ATOM 0 HA VAL A 49 1.401 -3.435 5.490 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.707 -4.489 6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.994 -6.029 4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.409 -4.433 4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.718 -5.807 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.389 -6.908 7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.348 -6.721 6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.635 -5.951 8.212 1.00 0.00 H new ATOM 713 N ILE A 50 0.610 -1.858 7.280 1.00 0.00 N ATOM 714 CA ILE A 50 0.355 -0.850 8.301 1.00 0.00 C ATOM 715 C ILE A 50 -0.863 -1.214 9.142 1.00 0.00 C ATOM 716 O ILE A 50 -2.001 -1.107 8.684 1.00 0.00 O ATOM 717 CB ILE A 50 0.137 0.541 7.676 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.424 1.034 7.013 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.332 1.529 8.734 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.360 1.746 7.964 1.00 0.00 C ATOM 0 H ILE A 50 0.347 -1.578 6.335 1.00 0.00 H new ATOM 0 HA ILE A 50 1.237 -0.818 8.940 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.636 0.462 6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.945 0.184 6.572 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.167 1.709 6.196 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.482 2.507 8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.271 1.182 9.165 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.421 1.606 9.519 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.251 2.068 7.425 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.857 2.616 8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.647 1.068 8.768 1.00 0.00 H new ATOM 732 N SER A 51 -0.618 -1.644 10.375 1.00 0.00 N ATOM 733 CA SER A 51 -1.695 -2.027 11.280 1.00 0.00 C ATOM 734 C SER A 51 -2.094 -0.857 12.175 1.00 0.00 C ATOM 735 O SER A 51 -2.863 -1.020 13.123 1.00 0.00 O ATOM 736 CB SER A 51 -1.269 -3.218 12.140 1.00 0.00 C ATOM 737 OG SER A 51 -2.395 -3.873 12.699 1.00 0.00 O ATOM 0 H SER A 51 0.318 -1.736 10.771 1.00 0.00 H new ATOM 0 HA SER A 51 -2.557 -2.313 10.678 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.698 -3.922 11.534 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.610 -2.877 12.938 1.00 0.00 H new ATOM 0 HG SER A 51 -3.018 -3.206 13.055 1.00 0.00 H new ATOM 743 N ASP A 52 -1.565 0.322 11.867 1.00 0.00 N ATOM 744 CA ASP A 52 -1.865 1.521 12.642 1.00 0.00 C ATOM 745 C ASP A 52 -1.587 2.779 11.826 1.00 0.00 C ATOM 746 O ASP A 52 -0.488 2.961 11.301 1.00 0.00 O ATOM 747 CB ASP A 52 -1.041 1.541 13.930 1.00 0.00 C ATOM 748 CG ASP A 52 -0.733 0.148 14.442 1.00 0.00 C ATOM 749 OD1 ASP A 52 -0.086 -0.625 13.705 1.00 0.00 O ATOM 750 OD2 ASP A 52 -1.139 -0.170 15.580 1.00 0.00 O ATOM 0 H ASP A 52 -0.926 0.473 11.086 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.924 1.503 12.898 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.107 2.074 13.752 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.583 2.095 14.696 1.00 0.00 H new ATOM 755 N VAL A 53 -2.590 3.645 11.722 1.00 0.00 N ATOM 756 CA VAL A 53 -2.454 4.886 10.969 1.00 0.00 C ATOM 757 C VAL A 53 -2.978 6.074 11.769 1.00 0.00 C ATOM 758 O VAL A 53 -4.181 6.337 11.794 1.00 0.00 O ATOM 759 CB VAL A 53 -3.205 4.814 9.626 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.274 6.188 8.978 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.538 3.810 8.697 1.00 0.00 C ATOM 0 H VAL A 53 -3.506 3.510 12.150 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.390 5.023 10.774 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.224 4.478 9.817 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.808 6.117 8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.799 6.876 9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.264 6.557 8.799 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.081 3.771 7.753 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.508 4.115 8.511 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.546 2.824 9.161 1.00 0.00 H new ATOM 771 N LEU A 54 -2.068 6.789 12.421 1.00 0.00 N ATOM 772 CA LEU A 54 -2.438 7.951 13.222 1.00 0.00 C ATOM 773 C LEU A 54 -3.541 8.754 12.539 1.00 0.00 C ATOM 774 O LEU A 54 -3.331 9.385 11.503 1.00 0.00 O ATOM 775 CB LEU A 54 -1.217 8.840 13.461 1.00 0.00 C ATOM 776 CG LEU A 54 -1.206 9.626 14.772 1.00 0.00 C ATOM 777 CD1 LEU A 54 -1.380 8.690 15.958 1.00 0.00 C ATOM 778 CD2 LEU A 54 0.084 10.423 14.905 1.00 0.00 C ATOM 0 H LEU A 54 -1.069 6.585 12.411 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.814 7.596 14.181 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.325 8.214 13.428 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.141 9.548 12.636 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.043 10.325 14.761 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.370 9.268 16.882 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.330 8.164 15.870 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.565 7.967 15.973 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.075 10.976 15.844 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.935 9.742 14.894 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.167 11.122 14.073 1.00 0.00 H new ATOM 790 N PRO A 55 -4.743 8.734 13.133 1.00 0.00 N ATOM 791 CA PRO A 55 -5.901 9.457 12.601 1.00 0.00 C ATOM 792 C PRO A 55 -5.752 10.969 12.735 1.00 0.00 C ATOM 793 O PRO A 55 -6.563 11.732 12.211 1.00 0.00 O ATOM 794 CB PRO A 55 -7.061 8.956 13.466 1.00 0.00 C ATOM 795 CG PRO A 55 -6.423 8.527 14.742 1.00 0.00 C ATOM 796 CD PRO A 55 -5.064 8.003 14.371 1.00 0.00 C ATOM 0 HA PRO A 55 -6.038 9.278 11.535 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.797 9.742 13.636 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.584 8.128 12.987 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.342 9.362 15.438 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.016 7.757 15.235 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.331 8.197 15.154 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.079 6.925 14.209 1.00 0.00 H new ATOM 804 N GLY A 56 -4.709 11.396 13.441 1.00 0.00 N ATOM 805 CA GLY A 56 -4.473 12.815 13.631 1.00 0.00 C ATOM 806 C GLY A 56 -3.085 13.236 13.190 1.00 0.00 C ATOM 807 O GLY A 56 -2.710 14.400 13.322 1.00 0.00 O ATOM 0 H GLY A 56 -4.024 10.784 13.884 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.216 13.382 13.071 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.608 13.065 14.683 1.00 0.00 H new ATOM 811 N GLY A 57 -2.318 12.284 12.667 1.00 0.00 N ATOM 812 CA GLY A 57 -0.971 12.581 12.216 1.00 0.00 C ATOM 813 C GLY A 57 -0.884 12.734 10.710 1.00 0.00 C ATOM 814 O GLY A 57 -1.887 12.940 10.027 1.00 0.00 O ATOM 0 H GLY A 57 -2.605 11.313 12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.626 13.499 12.692 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.300 11.784 12.536 1.00 0.00 H new ATOM 818 N PRO A 58 0.340 12.632 10.171 1.00 0.00 N ATOM 819 CA PRO A 58 0.583 12.758 8.730 1.00 0.00 C ATOM 820 C PRO A 58 0.032 11.574 7.944 1.00 0.00 C ATOM 821 O PRO A 58 -0.392 11.721 6.798 1.00 0.00 O ATOM 822 CB PRO A 58 2.110 12.801 8.631 1.00 0.00 C ATOM 823 CG PRO A 58 2.589 12.091 9.850 1.00 0.00 C ATOM 824 CD PRO A 58 1.580 12.387 10.925 1.00 0.00 C ATOM 0 HA PRO A 58 0.090 13.634 8.308 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.462 12.311 7.723 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.476 13.827 8.601 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.666 11.018 9.672 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.581 12.438 10.139 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.472 11.551 11.616 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.868 13.255 11.518 1.00 0.00 H new ATOM 832 N ALA A 59 0.039 10.400 8.567 1.00 0.00 N ATOM 833 CA ALA A 59 -0.463 9.192 7.926 1.00 0.00 C ATOM 834 C ALA A 59 -1.962 9.292 7.663 1.00 0.00 C ATOM 835 O ALA A 59 -2.462 8.781 6.660 1.00 0.00 O ATOM 836 CB ALA A 59 -0.156 7.973 8.783 1.00 0.00 C ATOM 0 H ALA A 59 0.387 10.260 9.516 1.00 0.00 H new ATOM 0 HA ALA A 59 0.041 9.084 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.537 7.078 8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.922 7.884 8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.633 8.083 9.757 1.00 0.00 H new ATOM 842 N ASP A 60 -2.674 9.952 8.570 1.00 0.00 N ATOM 843 CA ASP A 60 -4.116 10.119 8.435 1.00 0.00 C ATOM 844 C ASP A 60 -4.470 10.718 7.078 1.00 0.00 C ATOM 845 O ASP A 60 -4.472 11.936 6.907 1.00 0.00 O ATOM 846 CB ASP A 60 -4.655 11.010 9.556 1.00 0.00 C ATOM 847 CG ASP A 60 -5.867 11.813 9.126 1.00 0.00 C ATOM 848 OD1 ASP A 60 -6.750 11.239 8.455 1.00 0.00 O ATOM 849 OD2 ASP A 60 -5.932 13.014 9.460 1.00 0.00 O ATOM 0 H ASP A 60 -2.276 10.380 9.406 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.579 9.135 8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.919 10.391 10.413 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.870 11.691 9.884 1.00 0.00 H new ATOM 854 N GLY A 61 -4.769 9.852 6.114 1.00 0.00 N ATOM 855 CA GLY A 61 -5.119 10.315 4.784 1.00 0.00 C ATOM 856 C GLY A 61 -4.176 9.787 3.720 1.00 0.00 C ATOM 857 O GLY A 61 -4.614 9.209 2.724 1.00 0.00 O ATOM 0 H GLY A 61 -4.775 8.839 6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.137 10.003 4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.107 11.405 4.767 1.00 0.00 H new ATOM 861 N LEU A 62 -2.880 9.986 3.929 1.00 0.00 N ATOM 862 CA LEU A 62 -1.872 9.528 2.979 1.00 0.00 C ATOM 863 C LEU A 62 -1.877 8.006 2.873 1.00 0.00 C ATOM 864 O LEU A 62 -1.931 7.450 1.775 1.00 0.00 O ATOM 865 CB LEU A 62 -0.486 10.017 3.400 1.00 0.00 C ATOM 866 CG LEU A 62 -0.270 11.530 3.371 1.00 0.00 C ATOM 867 CD1 LEU A 62 1.069 11.891 3.995 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.353 12.053 1.944 1.00 0.00 C ATOM 0 H LEU A 62 -2.502 10.462 4.748 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.114 9.943 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.289 9.662 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.254 9.552 2.749 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.059 12.001 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.205 12.972 3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.091 11.551 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.872 11.409 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.197 13.132 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.414 11.574 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.336 11.828 1.531 1.00 0.00 H new ATOM 880 N LEU A 63 -1.821 7.338 4.020 1.00 0.00 N ATOM 881 CA LEU A 63 -1.821 5.880 4.056 1.00 0.00 C ATOM 882 C LEU A 63 -2.996 5.356 4.876 1.00 0.00 C ATOM 883 O LEU A 63 -3.656 6.114 5.587 1.00 0.00 O ATOM 884 CB LEU A 63 -0.506 5.365 4.643 1.00 0.00 C ATOM 885 CG LEU A 63 0.739 5.564 3.776 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.994 5.200 4.554 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.639 4.737 2.502 1.00 0.00 C ATOM 0 H LEU A 63 -1.775 7.783 4.937 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.923 5.516 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.340 5.859 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.615 4.300 4.848 1.00 0.00 H new ATOM 0 HG LEU A 63 0.801 6.616 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.870 5.348 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.072 5.835 5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.941 4.156 4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.533 4.891 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.552 3.681 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.240 5.046 1.936 1.00 0.00 H new ATOM 899 N GLN A 64 -3.250 4.055 4.773 1.00 0.00 N ATOM 900 CA GLN A 64 -4.344 3.430 5.507 1.00 0.00 C ATOM 901 C GLN A 64 -3.897 2.115 6.135 1.00 0.00 C ATOM 902 O GLN A 64 -2.742 1.712 5.999 1.00 0.00 O ATOM 903 CB GLN A 64 -5.535 3.187 4.578 1.00 0.00 C ATOM 904 CG GLN A 64 -5.884 4.385 3.710 1.00 0.00 C ATOM 905 CD GLN A 64 -6.577 3.989 2.421 1.00 0.00 C ATOM 906 OE1 GLN A 64 -6.321 4.565 1.363 1.00 0.00 O ATOM 907 NE2 GLN A 64 -7.460 3.001 2.502 1.00 0.00 N ATOM 0 H GLN A 64 -2.713 3.414 4.189 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.647 4.108 6.305 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.316 2.335 3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.404 2.918 5.178 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.529 5.061 4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.973 4.936 3.474 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.641 2.551 3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.957 2.691 1.667 1.00 0.00 H new ATOM 916 N GLU A 65 -4.819 1.450 6.824 1.00 0.00 N ATOM 917 CA GLU A 65 -4.518 0.180 7.474 1.00 0.00 C ATOM 918 C GLU A 65 -4.551 -0.968 6.468 1.00 0.00 C ATOM 919 O GLU A 65 -5.408 -1.010 5.587 1.00 0.00 O ATOM 920 CB GLU A 65 -5.515 -0.089 8.604 1.00 0.00 C ATOM 921 CG GLU A 65 -4.911 -0.834 9.783 1.00 0.00 C ATOM 922 CD GLU A 65 -5.932 -1.671 10.528 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.930 -1.098 11.014 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.734 -2.901 10.624 1.00 0.00 O ATOM 0 H GLU A 65 -5.780 1.769 6.946 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.514 0.245 7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.920 0.861 8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.351 -0.666 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.108 -1.479 9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.463 -0.117 10.471 1.00 0.00 H new ATOM 931 N ASN A 66 -3.610 -1.896 6.608 1.00 0.00 N ATOM 932 CA ASN A 66 -3.530 -3.044 5.712 1.00 0.00 C ATOM 933 C ASN A 66 -2.967 -2.635 4.354 1.00 0.00 C ATOM 934 O ASN A 66 -3.236 -3.279 3.340 1.00 0.00 O ATOM 935 CB ASN A 66 -4.912 -3.676 5.534 1.00 0.00 C ATOM 936 CG ASN A 66 -5.757 -3.582 6.790 1.00 0.00 C ATOM 937 OD1 ASN A 66 -5.527 -4.302 7.762 1.00 0.00 O ATOM 938 ND2 ASN A 66 -6.741 -2.690 6.775 1.00 0.00 N ATOM 0 H ASN A 66 -2.893 -1.876 7.333 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.858 -3.776 6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.431 -3.182 4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.796 -4.723 5.255 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.343 -2.581 7.591 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.895 -2.114 5.947 1.00 0.00 H new ATOM 945 N ASP A 67 -2.185 -1.562 4.343 1.00 0.00 N ATOM 946 CA ASP A 67 -1.582 -1.068 3.110 1.00 0.00 C ATOM 947 C ASP A 67 -0.339 -1.876 2.751 1.00 0.00 C ATOM 948 O ASP A 67 0.787 -1.441 2.991 1.00 0.00 O ATOM 949 CB ASP A 67 -1.220 0.412 3.252 1.00 0.00 C ATOM 950 CG ASP A 67 -0.054 0.635 4.194 1.00 0.00 C ATOM 951 OD1 ASP A 67 0.214 -0.255 5.029 1.00 0.00 O ATOM 952 OD2 ASP A 67 0.592 1.699 4.097 1.00 0.00 O ATOM 0 H ASP A 67 -1.953 -1.017 5.174 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.311 -1.181 2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.974 0.818 2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.088 0.962 3.616 1.00 0.00 H new ATOM 957 N ARG A 68 -0.552 -3.055 2.176 1.00 0.00 N ATOM 958 CA ARG A 68 0.551 -3.925 1.786 1.00 0.00 C ATOM 959 C ARG A 68 1.739 -3.108 1.289 1.00 0.00 C ATOM 960 O ARG A 68 1.772 -2.680 0.135 1.00 0.00 O ATOM 961 CB ARG A 68 0.098 -4.901 0.699 1.00 0.00 C ATOM 962 CG ARG A 68 0.834 -6.231 0.730 1.00 0.00 C ATOM 963 CD ARG A 68 0.115 -7.245 1.607 1.00 0.00 C ATOM 964 NE ARG A 68 0.579 -8.608 1.360 1.00 0.00 N ATOM 965 CZ ARG A 68 0.369 -9.261 0.223 1.00 0.00 C ATOM 966 NH1 ARG A 68 -0.292 -8.678 -0.768 1.00 0.00 N ATOM 967 NH2 ARG A 68 0.822 -10.499 0.074 1.00 0.00 N ATOM 0 H ARG A 68 -1.478 -3.430 1.970 1.00 0.00 H new ATOM 0 HA ARG A 68 0.864 -4.490 2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.971 -5.084 0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.243 -4.438 -0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.923 -6.623 -0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.847 -6.079 1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.272 -6.993 2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.958 -7.188 1.422 1.00 0.00 H new ATOM 0 HE ARG A 68 1.092 -9.084 2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.640 -7.726 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.452 -9.182 -1.640 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.332 -10.950 0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.660 -11.000 -0.800 1.00 0.00 H new ATOM 981 N VAL A 69 2.713 -2.893 2.167 1.00 0.00 N ATOM 982 CA VAL A 69 3.903 -2.127 1.818 1.00 0.00 C ATOM 983 C VAL A 69 4.783 -2.895 0.838 1.00 0.00 C ATOM 984 O VAL A 69 5.098 -4.065 1.056 1.00 0.00 O ATOM 985 CB VAL A 69 4.731 -1.775 3.067 1.00 0.00 C ATOM 986 CG1 VAL A 69 5.818 -0.768 2.722 1.00 0.00 C ATOM 987 CG2 VAL A 69 3.830 -1.242 4.171 1.00 0.00 C ATOM 0 H VAL A 69 2.701 -3.239 3.126 1.00 0.00 H new ATOM 0 HA VAL A 69 3.559 -1.205 1.348 1.00 0.00 H new ATOM 0 HB VAL A 69 5.213 -2.683 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.393 -0.532 3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.480 -1.192 1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.361 0.142 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.432 -0.998 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.318 -0.345 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.093 -2.000 4.437 1.00 0.00 H new ATOM 997 N VAL A 70 5.178 -2.230 -0.243 1.00 0.00 N ATOM 998 CA VAL A 70 6.023 -2.849 -1.256 1.00 0.00 C ATOM 999 C VAL A 70 7.427 -2.254 -1.240 1.00 0.00 C ATOM 1000 O VAL A 70 8.413 -2.969 -1.066 1.00 0.00 O ATOM 1001 CB VAL A 70 5.424 -2.683 -2.665 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.095 -3.632 -3.646 1.00 0.00 C ATOM 1003 CG2 VAL A 70 3.920 -2.912 -2.634 1.00 0.00 C ATOM 0 H VAL A 70 4.926 -1.261 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 70 6.078 -3.911 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 70 5.607 -1.662 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.659 -3.500 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.163 -3.416 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.945 -4.660 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.513 -2.791 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.713 -3.921 -2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.456 -2.188 -1.964 1.00 0.00 H new ATOM 1013 N MET A 71 7.508 -0.940 -1.421 1.00 0.00 N ATOM 1014 CA MET A 71 8.792 -0.247 -1.426 1.00 0.00 C ATOM 1015 C MET A 71 8.758 0.966 -0.502 1.00 0.00 C ATOM 1016 O MET A 71 7.725 1.620 -0.358 1.00 0.00 O ATOM 1017 CB MET A 71 9.156 0.188 -2.846 1.00 0.00 C ATOM 1018 CG MET A 71 10.374 1.094 -2.911 1.00 0.00 C ATOM 1019 SD MET A 71 10.348 2.193 -4.340 1.00 0.00 S ATOM 1020 CE MET A 71 9.725 3.700 -3.598 1.00 0.00 C ATOM 0 H MET A 71 6.701 -0.334 -1.566 1.00 0.00 H new ATOM 0 HA MET A 71 9.551 -0.938 -1.061 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.340 -0.699 -3.453 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.305 0.705 -3.288 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.427 1.690 -2.000 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.275 0.482 -2.945 1.00 0.00 H new ATOM 0 HE1 MET A 71 8.995 4.159 -4.265 1.00 0.00 H new ATOM 0 HE2 MET A 71 9.250 3.467 -2.645 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.550 4.392 -3.432 1.00 0.00 H new ATOM 1030 N VAL A 72 9.894 1.262 0.121 1.00 0.00 N ATOM 1031 CA VAL A 72 9.994 2.398 1.030 1.00 0.00 C ATOM 1032 C VAL A 72 11.259 3.205 0.764 1.00 0.00 C ATOM 1033 O VAL A 72 12.357 2.802 1.146 1.00 0.00 O ATOM 1034 CB VAL A 72 9.990 1.941 2.501 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.310 3.108 3.423 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.650 1.318 2.862 1.00 0.00 C ATOM 0 H VAL A 72 10.758 0.731 0.013 1.00 0.00 H new ATOM 0 HA VAL A 72 9.121 3.026 0.849 1.00 0.00 H new ATOM 0 HB VAL A 72 10.763 1.184 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.303 2.767 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.295 3.505 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.562 3.890 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.665 1.001 3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.857 2.052 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.466 0.454 2.223 1.00 0.00 H new ATOM 1046 N ASN A 73 11.098 4.348 0.104 1.00 0.00 N ATOM 1047 CA ASN A 73 12.228 5.213 -0.214 1.00 0.00 C ATOM 1048 C ASN A 73 13.197 4.515 -1.163 1.00 0.00 C ATOM 1049 O ASN A 73 14.396 4.790 -1.156 1.00 0.00 O ATOM 1050 CB ASN A 73 12.958 5.625 1.066 1.00 0.00 C ATOM 1051 CG ASN A 73 12.397 6.900 1.667 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.842 7.741 0.959 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.539 7.048 2.979 1.00 0.00 N ATOM 0 H ASN A 73 10.196 4.696 -0.221 1.00 0.00 H new ATOM 0 HA ASN A 73 11.843 6.105 -0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.886 4.820 1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.017 5.764 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.181 7.885 3.440 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.006 6.325 3.526 1.00 0.00 H new ATOM 1060 N GLY A 74 12.667 3.610 -1.981 1.00 0.00 N ATOM 1061 CA GLY A 74 13.499 2.887 -2.925 1.00 0.00 C ATOM 1062 C GLY A 74 14.053 1.601 -2.344 1.00 0.00 C ATOM 1063 O GLY A 74 15.088 1.105 -2.788 1.00 0.00 O ATOM 0 H GLY A 74 11.677 3.365 -2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.916 2.657 -3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.325 3.525 -3.240 1.00 0.00 H new ATOM 1067 N THR A 75 13.362 1.059 -1.345 1.00 0.00 N ATOM 1068 CA THR A 75 13.792 -0.175 -0.700 1.00 0.00 C ATOM 1069 C THR A 75 12.659 -1.193 -0.650 1.00 0.00 C ATOM 1070 O THR A 75 11.556 -0.907 -0.184 1.00 0.00 O ATOM 1071 CB THR A 75 14.296 0.086 0.732 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.404 0.994 0.705 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.715 -1.213 1.404 1.00 0.00 C ATOM 0 H THR A 75 12.502 1.456 -0.966 1.00 0.00 H new ATOM 0 HA THR A 75 14.610 -0.576 -1.298 1.00 0.00 H new ATOM 0 HB THR A 75 13.480 0.526 1.305 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.740 1.128 1.616 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.067 -1.003 2.414 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.862 -1.890 1.451 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.516 -1.678 0.830 1.00 0.00 H new ATOM 1081 N PRO A 76 12.935 -2.410 -1.140 1.00 0.00 N ATOM 1082 CA PRO A 76 11.950 -3.497 -1.162 1.00 0.00 C ATOM 1083 C PRO A 76 11.637 -4.023 0.235 1.00 0.00 C ATOM 1084 O PRO A 76 12.515 -4.541 0.924 1.00 0.00 O ATOM 1085 CB PRO A 76 12.635 -4.579 -2.000 1.00 0.00 C ATOM 1086 CG PRO A 76 14.092 -4.312 -1.846 1.00 0.00 C ATOM 1087 CD PRO A 76 14.228 -2.821 -1.712 1.00 0.00 C ATOM 0 HA PRO A 76 10.991 -3.171 -1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.376 -5.577 -1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.330 -4.522 -3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.491 -4.821 -0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.649 -4.679 -2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.059 -2.550 -1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.410 -2.346 -2.676 1.00 0.00 H new ATOM 1095 N MET A 77 10.381 -3.886 0.646 1.00 0.00 N ATOM 1096 CA MET A 77 9.953 -4.349 1.961 1.00 0.00 C ATOM 1097 C MET A 77 9.345 -5.746 1.873 1.00 0.00 C ATOM 1098 O MET A 77 8.687 -6.205 2.806 1.00 0.00 O ATOM 1099 CB MET A 77 8.938 -3.375 2.563 1.00 0.00 C ATOM 1100 CG MET A 77 9.316 -1.915 2.382 1.00 0.00 C ATOM 1101 SD MET A 77 10.336 -1.290 3.732 1.00 0.00 S ATOM 1102 CE MET A 77 11.964 -1.364 2.988 1.00 0.00 C ATOM 0 H MET A 77 9.642 -3.458 0.088 1.00 0.00 H new ATOM 0 HA MET A 77 10.830 -4.393 2.607 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.964 -3.549 2.105 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.832 -3.585 3.627 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.853 -1.797 1.441 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.409 -1.315 2.309 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.717 -1.466 3.770 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.019 -2.222 2.317 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.148 -0.450 2.424 1.00 0.00 H new ATOM 1112 N GLU A 78 9.571 -6.415 0.747 1.00 0.00 N ATOM 1113 CA GLU A 78 9.044 -7.759 0.540 1.00 0.00 C ATOM 1114 C GLU A 78 10.013 -8.811 1.070 1.00 0.00 C ATOM 1115 O GLU A 78 11.174 -8.863 0.663 1.00 0.00 O ATOM 1116 CB GLU A 78 8.775 -8.001 -0.947 1.00 0.00 C ATOM 1117 CG GLU A 78 9.967 -7.696 -1.839 1.00 0.00 C ATOM 1118 CD GLU A 78 9.799 -8.242 -3.244 1.00 0.00 C ATOM 1119 OE1 GLU A 78 10.041 -9.451 -3.444 1.00 0.00 O ATOM 1120 OE2 GLU A 78 9.424 -7.461 -4.143 1.00 0.00 O ATOM 0 H GLU A 78 10.115 -6.049 -0.035 1.00 0.00 H new ATOM 0 HA GLU A 78 8.107 -7.843 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.482 -9.041 -1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.931 -7.386 -1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.113 -6.617 -1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.867 -8.120 -1.394 1.00 0.00 H new ATOM 1127 N ASP A 79 9.528 -9.648 1.981 1.00 0.00 N ATOM 1128 CA ASP A 79 10.350 -10.700 2.568 1.00 0.00 C ATOM 1129 C ASP A 79 11.493 -10.105 3.384 1.00 0.00 C ATOM 1130 O ASP A 79 12.630 -10.571 3.311 1.00 0.00 O ATOM 1131 CB ASP A 79 10.908 -11.611 1.473 1.00 0.00 C ATOM 1132 CG ASP A 79 11.125 -13.031 1.956 1.00 0.00 C ATOM 1133 OD1 ASP A 79 10.123 -13.730 2.212 1.00 0.00 O ATOM 1134 OD2 ASP A 79 12.298 -13.443 2.080 1.00 0.00 O ATOM 0 H ASP A 79 8.570 -9.618 2.329 1.00 0.00 H new ATOM 0 HA ASP A 79 9.721 -11.290 3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.221 -11.619 0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.853 -11.204 1.113 1.00 0.00 H new ATOM 1139 N VAL A 80 11.184 -9.072 4.161 1.00 0.00 N ATOM 1140 CA VAL A 80 12.185 -8.412 4.991 1.00 0.00 C ATOM 1141 C VAL A 80 11.826 -8.514 6.469 1.00 0.00 C ATOM 1142 O VAL A 80 10.694 -8.846 6.823 1.00 0.00 O ATOM 1143 CB VAL A 80 12.338 -6.927 4.612 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.663 -6.784 3.133 1.00 0.00 C ATOM 1145 CG2 VAL A 80 11.076 -6.155 4.966 1.00 0.00 C ATOM 0 H VAL A 80 10.248 -8.674 4.233 1.00 0.00 H new ATOM 0 HA VAL A 80 13.131 -8.923 4.814 1.00 0.00 H new ATOM 0 HB VAL A 80 13.166 -6.507 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.767 -5.728 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.596 -7.303 2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.858 -7.219 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.201 -5.108 4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.229 -6.574 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.892 -6.230 6.038 1.00 0.00 H new ATOM 1155 N LEU A 81 12.797 -8.227 7.328 1.00 0.00 N ATOM 1156 CA LEU A 81 12.585 -8.285 8.771 1.00 0.00 C ATOM 1157 C LEU A 81 11.738 -7.108 9.244 1.00 0.00 C ATOM 1158 O LEU A 81 11.820 -6.010 8.694 1.00 0.00 O ATOM 1159 CB LEU A 81 13.927 -8.290 9.504 1.00 0.00 C ATOM 1160 CG LEU A 81 14.746 -9.578 9.397 1.00 0.00 C ATOM 1161 CD1 LEU A 81 16.117 -9.393 10.028 1.00 0.00 C ATOM 1162 CD2 LEU A 81 14.007 -10.735 10.052 1.00 0.00 C ATOM 0 H LEU A 81 13.739 -7.952 7.051 1.00 0.00 H new ATOM 0 HA LEU A 81 12.051 -9.208 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.530 -7.467 9.121 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.743 -8.087 10.559 1.00 0.00 H new ATOM 0 HG LEU A 81 14.884 -9.812 8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.685 -10.319 9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.649 -8.592 9.514 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.001 -9.134 11.081 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.604 -11.643 9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.838 -10.509 11.105 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.049 -10.883 9.554 1.00 0.00 H new ATOM 1174 N HIS A 82 10.927 -7.344 10.271 1.00 0.00 N ATOM 1175 CA HIS A 82 10.067 -6.302 10.821 1.00 0.00 C ATOM 1176 C HIS A 82 10.885 -5.077 11.219 1.00 0.00 C ATOM 1177 O HIS A 82 10.364 -3.964 11.277 1.00 0.00 O ATOM 1178 CB HIS A 82 9.299 -6.833 12.032 1.00 0.00 C ATOM 1179 CG HIS A 82 8.634 -5.759 12.836 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.158 -4.745 13.564 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.265 -5.648 12.957 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.106 -4.047 14.105 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 6.975 -4.611 13.723 1.00 0.00 N flip ATOM 0 H HIS A 82 10.848 -8.247 10.739 1.00 0.00 H new ATOM 0 HA HIS A 82 9.356 -6.007 10.050 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.544 -7.541 11.691 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.986 -7.384 12.674 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.542 -6.306 12.497 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.190 -3.178 14.740 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.037 -4.299 13.976 1.00 0.00 H new ATOM 1192 N SER A 83 12.168 -5.291 11.493 1.00 0.00 N ATOM 1193 CA SER A 83 13.056 -4.205 11.890 1.00 0.00 C ATOM 1194 C SER A 83 13.616 -3.487 10.667 1.00 0.00 C ATOM 1195 O SER A 83 13.922 -2.295 10.718 1.00 0.00 O ATOM 1196 CB SER A 83 14.202 -4.744 12.748 1.00 0.00 C ATOM 1197 OG SER A 83 15.256 -3.801 12.842 1.00 0.00 O ATOM 0 H SER A 83 12.615 -6.206 11.447 1.00 0.00 H new ATOM 0 HA SER A 83 12.477 -3.491 12.476 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.833 -4.982 13.746 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.578 -5.672 12.317 1.00 0.00 H new ATOM 0 HG SER A 83 15.975 -4.169 13.397 1.00 0.00 H new ATOM 1203 N PHE A 84 13.748 -4.220 9.566 1.00 0.00 N ATOM 1204 CA PHE A 84 14.272 -3.654 8.329 1.00 0.00 C ATOM 1205 C PHE A 84 13.291 -2.650 7.731 1.00 0.00 C ATOM 1206 O PHE A 84 13.686 -1.582 7.265 1.00 0.00 O ATOM 1207 CB PHE A 84 14.561 -4.765 7.317 1.00 0.00 C ATOM 1208 CG PHE A 84 15.035 -4.256 5.986 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.368 -3.931 5.789 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.148 -4.102 4.933 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.807 -3.462 4.565 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.582 -3.634 3.707 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.913 -3.313 3.523 1.00 0.00 C ATOM 0 H PHE A 84 13.499 -5.207 9.506 1.00 0.00 H new ATOM 0 HA PHE A 84 15.201 -3.133 8.563 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.315 -5.435 7.730 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.657 -5.356 7.170 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.071 -4.045 6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.106 -4.350 5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.848 -3.212 4.424 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.881 -3.519 2.893 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.254 -2.946 2.566 1.00 0.00 H new ATOM 1223 N ALA A 85 12.010 -3.002 7.749 1.00 0.00 N ATOM 1224 CA ALA A 85 10.971 -2.132 7.211 1.00 0.00 C ATOM 1225 C ALA A 85 10.952 -0.788 7.932 1.00 0.00 C ATOM 1226 O ALA A 85 10.929 0.267 7.299 1.00 0.00 O ATOM 1227 CB ALA A 85 9.612 -2.807 7.313 1.00 0.00 C ATOM 0 H ALA A 85 11.666 -3.883 8.130 1.00 0.00 H new ATOM 0 HA ALA A 85 11.195 -1.948 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.846 -2.146 6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.625 -3.738 6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.390 -3.022 8.358 1.00 0.00 H new ATOM 1233 N VAL A 86 10.962 -0.835 9.260 1.00 0.00 N ATOM 1234 CA VAL A 86 10.947 0.379 10.068 1.00 0.00 C ATOM 1235 C VAL A 86 12.258 1.145 9.934 1.00 0.00 C ATOM 1236 O VAL A 86 12.271 2.375 9.928 1.00 0.00 O ATOM 1237 CB VAL A 86 10.700 0.061 11.554 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.621 -1.055 12.022 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.886 1.309 12.404 1.00 0.00 C ATOM 0 H VAL A 86 10.980 -1.700 9.799 1.00 0.00 H new ATOM 0 HA VAL A 86 10.130 0.997 9.696 1.00 0.00 H new ATOM 0 HB VAL A 86 9.671 -0.279 11.668 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.432 -1.266 13.075 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.433 -1.953 11.433 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.659 -0.748 11.894 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.708 1.066 13.451 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.904 1.681 12.286 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.180 2.076 12.084 1.00 0.00 H new ATOM 1249 N GLN A 87 13.359 0.407 9.828 1.00 0.00 N ATOM 1250 CA GLN A 87 14.677 1.018 9.695 1.00 0.00 C ATOM 1251 C GLN A 87 14.647 2.161 8.686 1.00 0.00 C ATOM 1252 O GLN A 87 15.030 3.288 9.000 1.00 0.00 O ATOM 1253 CB GLN A 87 15.706 -0.029 9.267 1.00 0.00 C ATOM 1254 CG GLN A 87 17.133 0.495 9.241 1.00 0.00 C ATOM 1255 CD GLN A 87 18.154 -0.575 9.572 1.00 0.00 C ATOM 1256 OE1 GLN A 87 17.827 -1.596 10.177 1.00 0.00 O ATOM 1257 NE2 GLN A 87 19.401 -0.346 9.176 1.00 0.00 N ATOM 0 H GLN A 87 13.365 -0.613 9.832 1.00 0.00 H new ATOM 0 HA GLN A 87 14.963 1.422 10.666 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.652 -0.879 9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.445 -0.398 8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.348 0.904 8.254 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.228 1.315 9.953 1.00 0.00 H new ATOM 0 HE21 GLN A 87 19.628 0.514 8.677 1.00 0.00 H new ATOM 0 HE22 GLN A 87 20.132 -1.030 9.371 1.00 0.00 H new ATOM 1266 N GLN A 88 14.192 1.863 7.474 1.00 0.00 N ATOM 1267 CA GLN A 88 14.114 2.866 6.419 1.00 0.00 C ATOM 1268 C GLN A 88 13.306 4.076 6.877 1.00 0.00 C ATOM 1269 O GLN A 88 13.596 5.211 6.495 1.00 0.00 O ATOM 1270 CB GLN A 88 13.487 2.266 5.160 1.00 0.00 C ATOM 1271 CG GLN A 88 14.179 1.001 4.679 1.00 0.00 C ATOM 1272 CD GLN A 88 15.545 1.275 4.080 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.667 1.987 3.083 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.581 0.709 4.687 1.00 0.00 N ATOM 0 H GLN A 88 13.872 0.935 7.198 1.00 0.00 H new ATOM 0 HA GLN A 88 15.128 3.194 6.190 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.438 2.044 5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.511 3.009 4.363 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.285 0.309 5.515 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.552 0.509 3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.433 0.126 5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.525 0.857 4.329 1.00 0.00 H new ATOM 1283 N LEU A 89 12.291 3.827 7.696 1.00 0.00 N ATOM 1284 CA LEU A 89 11.439 4.896 8.207 1.00 0.00 C ATOM 1285 C LEU A 89 12.200 5.773 9.196 1.00 0.00 C ATOM 1286 O LEU A 89 12.147 7.000 9.122 1.00 0.00 O ATOM 1287 CB LEU A 89 10.197 4.309 8.879 1.00 0.00 C ATOM 1288 CG LEU A 89 9.414 3.281 8.060 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.165 2.843 8.809 1.00 0.00 C ATOM 1290 CD2 LEU A 89 9.048 3.852 6.698 1.00 0.00 C ATOM 0 H LEU A 89 12.037 2.894 8.021 1.00 0.00 H new ATOM 0 HA LEU A 89 11.130 5.514 7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.501 3.842 9.816 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.525 5.128 9.135 1.00 0.00 H new ATOM 0 HG LEU A 89 10.047 2.407 7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.620 2.112 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.450 2.394 9.761 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.528 3.709 8.992 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.491 3.107 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.433 4.742 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.957 4.116 6.158 1.00 0.00 H new ATOM 1302 N ARG A 90 12.910 5.134 10.121 1.00 0.00 N ATOM 1303 CA ARG A 90 13.683 5.855 11.125 1.00 0.00 C ATOM 1304 C ARG A 90 14.915 6.502 10.500 1.00 0.00 C ATOM 1305 O ARG A 90 15.601 7.301 11.138 1.00 0.00 O ATOM 1306 CB ARG A 90 14.105 4.910 12.251 1.00 0.00 C ATOM 1307 CG ARG A 90 14.714 3.608 11.757 1.00 0.00 C ATOM 1308 CD ARG A 90 15.271 2.782 12.906 1.00 0.00 C ATOM 1309 NE ARG A 90 14.403 2.821 14.079 1.00 0.00 N ATOM 1310 CZ ARG A 90 14.819 2.548 15.311 1.00 0.00 C ATOM 1311 NH1 ARG A 90 16.084 2.217 15.528 1.00 0.00 N ATOM 1312 NH2 ARG A 90 13.969 2.605 16.328 1.00 0.00 N ATOM 0 H ARG A 90 12.966 4.118 10.196 1.00 0.00 H new ATOM 0 HA ARG A 90 13.051 6.641 11.539 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.826 5.419 12.890 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.236 4.683 12.869 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.958 3.030 11.225 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.510 3.825 11.044 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.397 1.749 12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.260 3.154 13.174 1.00 0.00 H new ATOM 0 HE ARG A 90 13.423 3.072 13.946 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.740 2.171 14.748 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.401 2.008 16.475 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.995 2.859 16.165 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.290 2.395 17.273 1.00 0.00 H new ATOM 1326 N LYS A 91 15.191 6.151 9.249 1.00 0.00 N ATOM 1327 CA LYS A 91 16.340 6.697 8.536 1.00 0.00 C ATOM 1328 C LYS A 91 15.955 7.957 7.767 1.00 0.00 C ATOM 1329 O LYS A 91 16.636 8.979 7.852 1.00 0.00 O ATOM 1330 CB LYS A 91 16.912 5.654 7.573 1.00 0.00 C ATOM 1331 CG LYS A 91 17.707 4.560 8.263 1.00 0.00 C ATOM 1332 CD LYS A 91 18.008 3.409 7.319 1.00 0.00 C ATOM 1333 CE LYS A 91 19.086 3.781 6.312 1.00 0.00 C ATOM 1334 NZ LYS A 91 18.507 4.357 5.067 1.00 0.00 N ATOM 0 H LYS A 91 14.634 5.490 8.707 1.00 0.00 H new ATOM 0 HA LYS A 91 17.101 6.959 9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.093 5.200 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.553 6.155 6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.641 4.973 8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.148 4.190 9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.330 2.540 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.098 3.123 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.770 4.501 6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.672 2.896 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.776 3.767 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.470 4.385 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.870 5.322 4.929 1.00 0.00 H new ATOM 1348 N SER A 92 14.859 7.877 7.020 1.00 0.00 N ATOM 1349 CA SER A 92 14.385 9.011 6.234 1.00 0.00 C ATOM 1350 C SER A 92 14.387 10.288 7.069 1.00 0.00 C ATOM 1351 O SER A 92 13.703 10.378 8.088 1.00 0.00 O ATOM 1352 CB SER A 92 12.977 8.737 5.702 1.00 0.00 C ATOM 1353 OG SER A 92 12.740 9.445 4.498 1.00 0.00 O ATOM 0 H SER A 92 14.282 7.039 6.942 1.00 0.00 H new ATOM 0 HA SER A 92 15.063 9.147 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.852 7.668 5.530 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.239 9.028 6.450 1.00 0.00 H new ATOM 0 HG SER A 92 12.332 10.312 4.703 1.00 0.00 H new ATOM 1359 N GLY A 93 15.160 11.276 6.627 1.00 0.00 N ATOM 1360 CA GLY A 93 15.237 12.535 7.344 1.00 0.00 C ATOM 1361 C GLY A 93 13.902 12.950 7.931 1.00 0.00 C ATOM 1362 O GLY A 93 13.616 12.679 9.097 1.00 0.00 O ATOM 0 H GLY A 93 15.734 11.226 5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.972 12.449 8.145 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.591 13.313 6.668 1.00 0.00 H new ATOM 1366 N LYS A 94 13.083 13.613 7.122 1.00 0.00 N ATOM 1367 CA LYS A 94 11.771 14.068 7.566 1.00 0.00 C ATOM 1368 C LYS A 94 10.679 13.594 6.612 1.00 0.00 C ATOM 1369 O LYS A 94 9.570 13.267 7.037 1.00 0.00 O ATOM 1370 CB LYS A 94 11.745 15.595 7.668 1.00 0.00 C ATOM 1371 CG LYS A 94 10.356 16.167 7.890 1.00 0.00 C ATOM 1372 CD LYS A 94 10.407 17.472 8.667 1.00 0.00 C ATOM 1373 CE LYS A 94 9.013 17.964 9.023 1.00 0.00 C ATOM 1374 NZ LYS A 94 9.010 19.407 9.387 1.00 0.00 N ATOM 0 H LYS A 94 13.305 13.847 6.154 1.00 0.00 H new ATOM 0 HA LYS A 94 11.580 13.641 8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.392 15.907 8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.161 16.019 6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.873 16.334 6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.746 15.444 8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.988 17.331 9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.921 18.229 8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.344 17.801 8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.623 17.379 9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.041 19.704 9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.629 19.559 10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.358 19.968 8.584 1.00 0.00 H new ATOM 1388 N ILE A 95 11.000 13.558 5.323 1.00 0.00 N ATOM 1389 CA ILE A 95 10.047 13.121 4.311 1.00 0.00 C ATOM 1390 C ILE A 95 10.448 11.772 3.724 1.00 0.00 C ATOM 1391 O ILE A 95 11.575 11.596 3.261 1.00 0.00 O ATOM 1392 CB ILE A 95 9.925 14.149 3.171 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.707 15.552 3.741 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.788 13.770 2.235 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.380 15.718 4.447 1.00 0.00 C ATOM 0 H ILE A 95 11.913 13.826 4.955 1.00 0.00 H new ATOM 0 HA ILE A 95 9.081 13.026 4.808 1.00 0.00 H new ATOM 0 HB ILE A 95 10.854 14.149 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.512 15.781 4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.772 16.279 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.715 14.506 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.982 12.787 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.851 13.745 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.294 16.737 4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.568 15.521 3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.320 15.016 5.279 1.00 0.00 H new ATOM 1407 N ALA A 96 9.518 10.823 3.744 1.00 0.00 N ATOM 1408 CA ALA A 96 9.773 9.491 3.210 1.00 0.00 C ATOM 1409 C ALA A 96 8.697 9.085 2.210 1.00 0.00 C ATOM 1410 O ALA A 96 7.539 9.484 2.333 1.00 0.00 O ATOM 1411 CB ALA A 96 9.856 8.476 4.341 1.00 0.00 C ATOM 0 H ALA A 96 8.581 10.952 4.125 1.00 0.00 H new ATOM 0 HA ALA A 96 10.728 9.513 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.047 7.486 3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.666 8.750 5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.914 8.465 4.890 1.00 0.00 H new ATOM 1417 N ALA A 97 9.086 8.290 1.218 1.00 0.00 N ATOM 1418 CA ALA A 97 8.153 7.829 0.197 1.00 0.00 C ATOM 1419 C ALA A 97 7.851 6.343 0.360 1.00 0.00 C ATOM 1420 O ALA A 97 8.764 5.519 0.426 1.00 0.00 O ATOM 1421 CB ALA A 97 8.710 8.108 -1.191 1.00 0.00 C ATOM 0 H ALA A 97 10.041 7.952 1.100 1.00 0.00 H new ATOM 0 HA ALA A 97 7.219 8.378 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.003 7.759 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.868 9.180 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.659 7.586 -1.314 1.00 0.00 H new ATOM 1427 N ILE A 98 6.567 6.009 0.424 1.00 0.00 N ATOM 1428 CA ILE A 98 6.146 4.622 0.579 1.00 0.00 C ATOM 1429 C ILE A 98 5.218 4.200 -0.555 1.00 0.00 C ATOM 1430 O ILE A 98 4.314 4.941 -0.941 1.00 0.00 O ATOM 1431 CB ILE A 98 5.431 4.397 1.924 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.344 4.796 3.085 1.00 0.00 C ATOM 1433 CG2 ILE A 98 4.998 2.945 2.057 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.656 4.765 4.432 1.00 0.00 C ATOM 0 H ILE A 98 5.800 6.679 0.371 1.00 0.00 H new ATOM 0 HA ILE A 98 7.050 4.013 0.552 1.00 0.00 H new ATOM 0 HB ILE A 98 4.541 5.025 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.203 4.125 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.729 5.800 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.494 2.802 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.315 2.693 1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.874 2.298 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.362 5.059 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.814 5.457 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.295 3.756 4.633 1.00 0.00 H new ATOM 1446 N VAL A 99 5.447 3.002 -1.085 1.00 0.00 N ATOM 1447 CA VAL A 99 4.630 2.479 -2.173 1.00 0.00 C ATOM 1448 C VAL A 99 3.822 1.268 -1.720 1.00 0.00 C ATOM 1449 O VAL A 99 4.335 0.150 -1.668 1.00 0.00 O ATOM 1450 CB VAL A 99 5.495 2.081 -3.384 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.618 1.771 -4.587 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.492 3.182 -3.710 1.00 0.00 C ATOM 0 H VAL A 99 6.192 2.376 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 99 3.949 3.277 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 99 6.054 1.180 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.246 1.492 -5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.947 0.947 -4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.031 2.652 -4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.095 2.884 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.955 4.101 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.142 3.351 -2.851 1.00 0.00 H new ATOM 1462 N VAL A 100 2.554 1.497 -1.393 1.00 0.00 N ATOM 1463 CA VAL A 100 1.673 0.425 -0.945 1.00 0.00 C ATOM 1464 C VAL A 100 0.674 0.045 -2.032 1.00 0.00 C ATOM 1465 O VAL A 100 0.369 0.844 -2.918 1.00 0.00 O ATOM 1466 CB VAL A 100 0.904 0.825 0.328 1.00 0.00 C ATOM 1467 CG1 VAL A 100 1.862 1.337 1.392 1.00 0.00 C ATOM 1468 CG2 VAL A 100 -0.154 1.869 0.004 1.00 0.00 C ATOM 0 H VAL A 100 2.114 2.416 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 100 2.307 -0.433 -0.722 1.00 0.00 H new ATOM 0 HB VAL A 100 0.402 -0.059 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.300 1.615 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.578 0.555 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.395 2.209 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.688 2.140 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.325 2.755 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.858 1.461 -0.721 1.00 0.00 H new ATOM 1478 N LYS A 101 0.165 -1.180 -1.958 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.802 -1.668 -2.934 1.00 0.00 C ATOM 1480 C LYS A 101 -2.032 -2.243 -2.240 1.00 0.00 C ATOM 1481 O LYS A 101 -1.925 -3.159 -1.424 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.163 -2.732 -3.828 1.00 0.00 C ATOM 1483 CG LYS A 101 0.380 -3.925 -3.061 1.00 0.00 C ATOM 1484 CD LYS A 101 1.065 -4.918 -3.985 1.00 0.00 C ATOM 1485 CE LYS A 101 1.177 -6.292 -3.342 1.00 0.00 C ATOM 1486 NZ LYS A 101 2.018 -7.216 -4.152 1.00 0.00 N ATOM 0 H LYS A 101 0.406 -1.854 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.115 -0.825 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.902 -3.080 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.648 -2.277 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.087 -3.582 -2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.435 -4.420 -2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.505 -4.996 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.060 -4.553 -4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.604 -6.192 -2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.181 -6.719 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.070 -8.142 -3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.597 -7.331 -5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.976 -6.821 -4.246 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.200 -1.702 -2.570 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.451 -2.162 -1.978 1.00 0.00 C ATOM 1502 C ARG A 102 -5.235 -3.021 -2.965 1.00 0.00 C ATOM 1503 O ARG A 102 -5.436 -2.654 -4.123 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.300 -0.969 -1.536 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.627 -0.096 -0.490 1.00 0.00 C ATOM 1506 CD ARG A 102 -5.072 1.353 -0.603 1.00 0.00 C ATOM 1507 NE ARG A 102 -4.034 2.281 -0.162 1.00 0.00 N ATOM 1508 CZ ARG A 102 -3.608 2.365 1.093 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -4.129 1.581 2.027 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -2.659 3.234 1.417 1.00 0.00 N ATOM 0 H ARG A 102 -3.306 -0.944 -3.244 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.210 -2.770 -1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.536 -0.359 -2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.246 -1.335 -1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.861 -0.473 0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.545 -0.155 -0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.337 1.571 -1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.971 1.504 -0.005 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.613 2.899 -0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.859 0.912 1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.800 1.647 2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.256 3.839 0.702 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.333 3.297 2.381 1.00 0.00 H new ATOM 1524 N PRO A 103 -5.690 -4.193 -2.498 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.460 -5.129 -3.323 1.00 0.00 C ATOM 1526 C PRO A 103 -7.855 -4.604 -3.647 1.00 0.00 C ATOM 1527 O PRO A 103 -8.679 -4.413 -2.752 1.00 0.00 O ATOM 1528 CB PRO A 103 -6.549 -6.382 -2.449 1.00 0.00 C ATOM 1529 CG PRO A 103 -6.410 -5.881 -1.053 1.00 0.00 C ATOM 1530 CD PRO A 103 -5.489 -4.695 -1.129 1.00 0.00 C ATOM 0 HA PRO A 103 -5.990 -5.301 -4.291 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -7.499 -6.898 -2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.760 -7.093 -2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.379 -5.597 -0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.000 -6.652 -0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.742 -3.941 -0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.452 -4.980 -0.954 1.00 0.00 H new