USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=17 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 131:sc= 0.838 USER MOD Set 1.2: A 88 GLN : amide:sc= -1 K(o=-0.16,f=-5.1) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.655 K(o=-0.51,f=-7.2!) USER MOD Set 2.2: A 92 SER OG : rot -90:sc= -1.17! USER MOD Single : A 15 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.83) USER MOD Single : A 16 TYR OH : rot -75:sc=0.000662 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ -124:sc= 0.0878 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= -0.448 (180deg=-1.59!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.5!) USER MOD Single : A 40 HIS : no HD1:sc= -1.87! C(o=-1.9!,f=-4.4!) USER MOD Single : A 43 ASN : amide:sc= -0.0938 K(o=-0.094,f=-1.9!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00489 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.871 F(o=-1.4,f=-0.87) USER MOD Single : A 71 MET CE :methyl -111:sc= -0.175 (180deg=-0.821) USER MOD Single : A 77 MET CE :methyl -173:sc= -3.31 (180deg=-3.46) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -3.3! C(o=-4.4!,f=-3.3!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.055 USER MOD Single : A 87 GLN : amide:sc= -0.0543 K(o=-0.054,f=-2.5!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -7.860 -6.243 -8.781 1.00 0.00 N ATOM 130 CA ILE A 12 -6.885 -5.301 -9.316 1.00 0.00 C ATOM 131 C ILE A 12 -6.137 -4.587 -8.195 1.00 0.00 C ATOM 132 O ILE A 12 -6.686 -3.708 -7.530 1.00 0.00 O ATOM 133 CB ILE A 12 -7.555 -4.250 -10.221 1.00 0.00 C ATOM 134 CG1 ILE A 12 -8.478 -4.931 -11.233 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.501 -3.417 -10.935 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.237 -3.959 -12.108 1.00 0.00 C ATOM 0 HA ILE A 12 -6.178 -5.882 -9.909 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.155 -3.586 -9.599 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.885 -5.591 -11.866 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.191 -5.558 -10.698 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.990 -2.679 -11.571 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.880 -2.907 -10.199 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.877 -4.067 -11.548 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.871 -4.512 -12.801 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.857 -3.315 -11.484 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.531 -3.348 -12.671 1.00 0.00 H new ATOM 148 N TRP A 13 -4.882 -4.971 -7.991 1.00 0.00 N ATOM 149 CA TRP A 13 -4.057 -4.366 -6.951 1.00 0.00 C ATOM 150 C TRP A 13 -3.514 -3.015 -7.403 1.00 0.00 C ATOM 151 O TRP A 13 -2.608 -2.947 -8.233 1.00 0.00 O ATOM 152 CB TRP A 13 -2.901 -5.297 -6.582 1.00 0.00 C ATOM 153 CG TRP A 13 -3.342 -6.536 -5.864 1.00 0.00 C ATOM 154 CD1 TRP A 13 -3.939 -7.634 -6.415 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.223 -6.803 -4.462 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.198 -8.567 -5.440 1.00 0.00 N ATOM 157 CE2 TRP A 13 -3.767 -8.082 -4.234 1.00 0.00 C ATOM 158 CE3 TRP A 13 -2.707 -6.087 -3.379 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -3.811 -8.656 -2.966 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -2.752 -6.658 -2.121 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.299 -7.932 -1.923 1.00 0.00 C ATOM 0 H TRP A 13 -4.413 -5.698 -8.532 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.682 -4.209 -6.072 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.369 -5.582 -7.490 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.193 -4.755 -5.955 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.173 -7.752 -7.463 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.640 -9.474 -5.590 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.281 -5.105 -3.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.234 -9.638 -2.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.359 -6.112 -1.276 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.317 -8.351 -0.928 1.00 0.00 H new ATOM 172 N GLU A 14 -4.074 -1.942 -6.853 1.00 0.00 N ATOM 173 CA GLU A 14 -3.645 -0.593 -7.202 1.00 0.00 C ATOM 174 C GLU A 14 -2.590 -0.087 -6.222 1.00 0.00 C ATOM 175 O GLU A 14 -2.732 -0.239 -5.009 1.00 0.00 O ATOM 176 CB GLU A 14 -4.842 0.360 -7.216 1.00 0.00 C ATOM 177 CG GLU A 14 -5.963 -0.085 -8.141 1.00 0.00 C ATOM 178 CD GLU A 14 -6.757 1.080 -8.697 1.00 0.00 C ATOM 179 OE1 GLU A 14 -7.510 1.708 -7.924 1.00 0.00 O ATOM 180 OE2 GLU A 14 -6.626 1.364 -9.906 1.00 0.00 O ATOM 0 H GLU A 14 -4.825 -1.981 -6.164 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.205 -0.626 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.233 0.453 -6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.504 1.351 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.542 -0.659 -8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.634 -0.751 -7.598 1.00 0.00 H new ATOM 187 N GLN A 15 -1.532 0.513 -6.758 1.00 0.00 N ATOM 188 CA GLN A 15 -0.453 1.040 -5.931 1.00 0.00 C ATOM 189 C GLN A 15 -0.681 2.514 -5.614 1.00 0.00 C ATOM 190 O GLN A 15 -1.119 3.283 -6.469 1.00 0.00 O ATOM 191 CB GLN A 15 0.893 0.860 -6.636 1.00 0.00 C ATOM 192 CG GLN A 15 1.595 -0.441 -6.284 1.00 0.00 C ATOM 193 CD GLN A 15 2.509 -0.929 -7.390 1.00 0.00 C ATOM 194 OE1 GLN A 15 2.180 -0.830 -8.572 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.666 -1.461 -7.011 1.00 0.00 N ATOM 0 H GLN A 15 -1.399 0.646 -7.760 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.442 0.483 -4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.737 0.899 -7.714 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.544 1.696 -6.378 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.177 -0.301 -5.373 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.848 -1.206 -6.071 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.898 -1.523 -6.020 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.322 -1.807 -7.711 1.00 0.00 H new ATOM 204 N TYR A 16 -0.380 2.902 -4.379 1.00 0.00 N ATOM 205 CA TYR A 16 -0.554 4.283 -3.948 1.00 0.00 C ATOM 206 C TYR A 16 0.739 4.837 -3.358 1.00 0.00 C ATOM 207 O TYR A 16 1.185 4.408 -2.293 1.00 0.00 O ATOM 208 CB TYR A 16 -1.680 4.379 -2.917 1.00 0.00 C ATOM 209 CG TYR A 16 -3.014 3.886 -3.429 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.214 2.542 -3.722 1.00 0.00 C ATOM 211 CD2 TYR A 16 -4.075 4.763 -3.622 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.431 2.087 -4.191 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.295 4.316 -4.090 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.468 2.977 -4.373 1.00 0.00 C ATOM 215 OH TYR A 16 -6.683 2.528 -4.840 1.00 0.00 O ATOM 0 H TYR A 16 -0.014 2.279 -3.659 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.818 4.879 -4.822 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.403 3.802 -2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.783 5.417 -2.600 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.404 1.842 -3.581 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.943 5.812 -3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.569 1.039 -4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.109 5.011 -4.234 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.615 2.337 -5.799 1.00 0.00 H new ATOM 225 N THR A 17 1.338 5.796 -4.058 1.00 0.00 N ATOM 226 CA THR A 17 2.580 6.410 -3.606 1.00 0.00 C ATOM 227 C THR A 17 2.321 7.770 -2.968 1.00 0.00 C ATOM 228 O THR A 17 2.116 8.764 -3.665 1.00 0.00 O ATOM 229 CB THR A 17 3.577 6.581 -4.767 1.00 0.00 C ATOM 230 OG1 THR A 17 3.736 5.340 -5.463 1.00 0.00 O ATOM 231 CG2 THR A 17 4.928 7.058 -4.255 1.00 0.00 C ATOM 0 H THR A 17 0.982 6.164 -4.940 1.00 0.00 H new ATOM 0 HA THR A 17 3.012 5.740 -2.863 1.00 0.00 H new ATOM 0 HB THR A 17 3.180 7.332 -5.450 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.370 5.458 -6.201 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.615 7.171 -5.093 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.808 8.017 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.330 6.327 -3.553 1.00 0.00 H new ATOM 239 N VAL A 18 2.333 7.808 -1.640 1.00 0.00 N ATOM 240 CA VAL A 18 2.101 9.047 -0.908 1.00 0.00 C ATOM 241 C VAL A 18 3.314 9.424 -0.066 1.00 0.00 C ATOM 242 O VAL A 18 4.095 8.562 0.340 1.00 0.00 O ATOM 243 CB VAL A 18 0.868 8.936 0.009 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.409 9.182 -0.780 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.831 7.575 0.688 1.00 0.00 C ATOM 0 H VAL A 18 2.501 6.994 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 18 1.923 9.824 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 18 0.942 9.701 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.269 9.099 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.381 10.181 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.493 8.442 -1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.046 7.513 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.781 6.792 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.731 7.443 1.288 1.00 0.00 H new ATOM 255 N THR A 19 3.468 10.719 0.195 1.00 0.00 N ATOM 256 CA THR A 19 4.588 11.211 0.988 1.00 0.00 C ATOM 257 C THR A 19 4.121 11.694 2.357 1.00 0.00 C ATOM 258 O THR A 19 3.190 12.493 2.460 1.00 0.00 O ATOM 259 CB THR A 19 5.321 12.361 0.273 1.00 0.00 C ATOM 260 OG1 THR A 19 4.437 13.004 -0.653 1.00 0.00 O ATOM 261 CG2 THR A 19 6.548 11.846 -0.464 1.00 0.00 C ATOM 0 H THR A 19 2.831 11.446 -0.131 1.00 0.00 H new ATOM 0 HA THR A 19 5.277 10.376 1.115 1.00 0.00 H new ATOM 0 HB THR A 19 5.645 13.080 1.026 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.910 13.735 -1.103 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.049 12.677 -0.961 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.232 11.383 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.243 11.109 -1.207 1.00 0.00 H new ATOM 269 N LEU A 20 4.774 11.205 3.405 1.00 0.00 N ATOM 270 CA LEU A 20 4.426 11.588 4.769 1.00 0.00 C ATOM 271 C LEU A 20 5.511 12.468 5.381 1.00 0.00 C ATOM 272 O LEU A 20 6.676 12.394 4.991 1.00 0.00 O ATOM 273 CB LEU A 20 4.216 10.342 5.632 1.00 0.00 C ATOM 274 CG LEU A 20 3.403 9.214 4.996 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.845 7.865 5.541 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.916 9.428 5.237 1.00 0.00 C ATOM 0 H LEU A 20 5.547 10.543 3.337 1.00 0.00 H new ATOM 0 HA LEU A 20 3.498 12.159 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.194 9.947 5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.721 10.643 6.555 1.00 0.00 H new ATOM 0 HG LEU A 20 3.582 9.224 3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.255 7.074 5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.900 7.710 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.697 7.842 6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.352 8.616 4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.720 9.445 6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.609 10.377 4.797 1.00 0.00 H new ATOM 288 N GLN A 21 5.121 13.297 6.344 1.00 0.00 N ATOM 289 CA GLN A 21 6.061 14.189 7.011 1.00 0.00 C ATOM 290 C GLN A 21 6.344 13.718 8.434 1.00 0.00 C ATOM 291 O GLN A 21 5.434 13.311 9.157 1.00 0.00 O ATOM 292 CB GLN A 21 5.513 15.617 7.034 1.00 0.00 C ATOM 293 CG GLN A 21 5.153 16.153 5.658 1.00 0.00 C ATOM 294 CD GLN A 21 4.780 17.622 5.682 1.00 0.00 C ATOM 295 OE1 GLN A 21 4.863 18.278 6.721 1.00 0.00 O ATOM 296 NE2 GLN A 21 4.368 18.148 4.535 1.00 0.00 N ATOM 0 H GLN A 21 4.160 13.369 6.679 1.00 0.00 H new ATOM 0 HA GLN A 21 6.996 14.174 6.451 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.628 15.647 7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.254 16.274 7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.997 16.008 4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.320 15.577 5.255 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.314 17.568 3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.105 19.133 4.491 1.00 0.00 H new ATOM 305 N LYS A 22 7.611 13.773 8.829 1.00 0.00 N ATOM 306 CA LYS A 22 8.015 13.353 10.165 1.00 0.00 C ATOM 307 C LYS A 22 7.553 14.358 11.215 1.00 0.00 C ATOM 308 O LYS A 22 8.249 15.331 11.507 1.00 0.00 O ATOM 309 CB LYS A 22 9.535 13.191 10.234 1.00 0.00 C ATOM 310 CG LYS A 22 9.994 12.183 11.273 1.00 0.00 C ATOM 311 CD LYS A 22 11.150 11.340 10.761 1.00 0.00 C ATOM 312 CE LYS A 22 10.658 10.051 10.120 1.00 0.00 C ATOM 313 NZ LYS A 22 10.606 8.930 11.099 1.00 0.00 N ATOM 0 H LYS A 22 8.376 14.105 8.242 1.00 0.00 H new ATOM 0 HA LYS A 22 7.543 12.393 10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.904 12.884 9.255 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.985 14.159 10.455 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.298 12.707 12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.161 11.534 11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.725 11.913 10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.823 11.104 11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.666 10.211 9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.316 9.782 9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.176 8.135 10.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.985 9.250 12.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.620 8.622 11.222 1.00 0.00 H new ATOM 327 N ASP A 23 6.375 14.117 11.780 1.00 0.00 N ATOM 328 CA ASP A 23 5.821 15.000 12.800 1.00 0.00 C ATOM 329 C ASP A 23 6.789 15.156 13.969 1.00 0.00 C ATOM 330 O ASP A 23 7.908 14.645 13.932 1.00 0.00 O ATOM 331 CB ASP A 23 4.481 14.459 13.300 1.00 0.00 C ATOM 332 CG ASP A 23 3.606 15.542 13.900 1.00 0.00 C ATOM 333 OD1 ASP A 23 3.692 16.698 13.437 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.836 15.234 14.834 1.00 0.00 O ATOM 0 H ASP A 23 5.785 13.318 11.549 1.00 0.00 H new ATOM 0 HA ASP A 23 5.663 15.980 12.350 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.952 13.986 12.473 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.661 13.686 14.047 1.00 0.00 H new ATOM 339 N SER A 24 6.350 15.865 15.004 1.00 0.00 N ATOM 340 CA SER A 24 7.179 16.092 16.181 1.00 0.00 C ATOM 341 C SER A 24 7.437 14.785 16.925 1.00 0.00 C ATOM 342 O SER A 24 8.572 14.314 17.001 1.00 0.00 O ATOM 343 CB SER A 24 6.509 17.100 17.117 1.00 0.00 C ATOM 344 OG SER A 24 6.489 18.395 16.541 1.00 0.00 O ATOM 0 H SER A 24 5.425 16.292 15.051 1.00 0.00 H new ATOM 0 HA SER A 24 8.135 16.496 15.848 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.490 16.779 17.333 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.042 17.129 18.067 1.00 0.00 H new ATOM 0 HG SER A 24 6.054 19.021 17.158 1.00 0.00 H new ATOM 350 N LYS A 25 6.375 14.203 17.471 1.00 0.00 N ATOM 351 CA LYS A 25 6.484 12.950 18.208 1.00 0.00 C ATOM 352 C LYS A 25 5.906 11.792 17.400 1.00 0.00 C ATOM 353 O LYS A 25 6.127 10.625 17.724 1.00 0.00 O ATOM 354 CB LYS A 25 5.759 13.060 19.552 1.00 0.00 C ATOM 355 CG LYS A 25 6.543 13.825 20.604 1.00 0.00 C ATOM 356 CD LYS A 25 6.252 15.315 20.542 1.00 0.00 C ATOM 357 CE LYS A 25 5.022 15.678 21.360 1.00 0.00 C ATOM 358 NZ LYS A 25 3.765 15.491 20.583 1.00 0.00 N ATOM 0 H LYS A 25 5.428 14.579 17.417 1.00 0.00 H new ATOM 0 HA LYS A 25 7.541 12.753 18.387 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.798 13.551 19.398 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.548 12.058 19.925 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.292 13.445 21.594 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.610 13.655 20.459 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.113 15.871 20.913 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.102 15.614 19.505 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.989 15.062 22.259 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.096 16.715 21.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.104 16.264 20.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.981 15.497 19.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.331 14.581 20.839 1.00 0.00 H new ATOM 372 N ARG A 26 5.165 12.123 16.348 1.00 0.00 N ATOM 373 CA ARG A 26 4.556 11.110 15.494 1.00 0.00 C ATOM 374 C ARG A 26 5.019 11.268 14.048 1.00 0.00 C ATOM 375 O ARG A 26 4.223 11.565 13.159 1.00 0.00 O ATOM 376 CB ARG A 26 3.031 11.203 15.564 1.00 0.00 C ATOM 377 CG ARG A 26 2.477 11.066 16.973 1.00 0.00 C ATOM 378 CD ARG A 26 2.681 9.660 17.517 1.00 0.00 C ATOM 379 NE ARG A 26 1.744 9.348 18.593 1.00 0.00 N ATOM 380 CZ ARG A 26 1.639 8.147 19.150 1.00 0.00 C ATOM 381 NH1 ARG A 26 2.408 7.150 18.735 1.00 0.00 N ATOM 382 NH2 ARG A 26 0.762 7.941 20.125 1.00 0.00 N ATOM 0 H ARG A 26 4.972 13.084 16.066 1.00 0.00 H new ATOM 0 HA ARG A 26 4.871 10.131 15.854 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.714 12.160 15.150 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.599 10.425 14.935 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.966 11.786 17.629 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.414 11.306 16.972 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.559 8.938 16.710 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.702 9.558 17.885 1.00 0.00 H new ATOM 0 HE ARG A 26 1.137 10.093 18.935 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.083 7.304 17.986 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.325 6.229 19.165 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.168 8.705 20.447 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.682 7.018 20.552 1.00 0.00 H new ATOM 396 N GLY A 27 6.314 11.067 13.822 1.00 0.00 N ATOM 397 CA GLY A 27 6.861 11.192 12.483 1.00 0.00 C ATOM 398 C GLY A 27 5.831 10.911 11.408 1.00 0.00 C ATOM 399 O GLY A 27 5.093 11.806 10.995 1.00 0.00 O ATOM 0 H GLY A 27 6.994 10.820 14.541 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.257 12.198 12.348 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.697 10.502 12.370 1.00 0.00 H new ATOM 403 N PHE A 28 5.781 9.664 10.950 1.00 0.00 N ATOM 404 CA PHE A 28 4.835 9.268 9.913 1.00 0.00 C ATOM 405 C PHE A 28 3.573 8.670 10.527 1.00 0.00 C ATOM 406 O PHE A 28 2.742 8.093 9.827 1.00 0.00 O ATOM 407 CB PHE A 28 5.482 8.258 8.962 1.00 0.00 C ATOM 408 CG PHE A 28 6.829 8.688 8.457 1.00 0.00 C ATOM 409 CD1 PHE A 28 6.996 9.925 7.856 1.00 0.00 C ATOM 410 CD2 PHE A 28 7.929 7.854 8.583 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.235 10.322 7.390 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.171 8.247 8.119 1.00 0.00 C ATOM 413 CZ PHE A 28 9.324 9.483 7.523 1.00 0.00 C ATOM 0 H PHE A 28 6.384 8.911 11.281 1.00 0.00 H new ATOM 0 HA PHE A 28 4.556 10.159 9.351 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.584 7.302 9.475 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.819 8.095 8.112 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.149 10.586 7.750 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.815 6.886 9.049 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.352 11.288 6.922 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.020 7.588 8.223 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.293 9.793 7.162 1.00 0.00 H new ATOM 423 N GLY A 29 3.438 8.811 11.842 1.00 0.00 N ATOM 424 CA GLY A 29 2.276 8.279 12.530 1.00 0.00 C ATOM 425 C GLY A 29 1.813 6.958 11.950 1.00 0.00 C ATOM 426 O GLY A 29 0.675 6.836 11.496 1.00 0.00 O ATOM 0 H GLY A 29 4.113 9.284 12.443 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.512 8.146 13.586 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.462 9.002 12.474 1.00 0.00 H new ATOM 430 N ILE A 30 2.698 5.966 11.962 1.00 0.00 N ATOM 431 CA ILE A 30 2.373 4.647 11.433 1.00 0.00 C ATOM 432 C ILE A 30 3.103 3.551 12.202 1.00 0.00 C ATOM 433 O ILE A 30 4.117 3.804 12.852 1.00 0.00 O ATOM 434 CB ILE A 30 2.733 4.537 9.939 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.079 5.211 9.665 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.639 5.158 9.084 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.656 4.876 8.307 1.00 0.00 C ATOM 0 H ILE A 30 3.645 6.051 12.332 1.00 0.00 H new ATOM 0 HA ILE A 30 1.297 4.515 11.551 1.00 0.00 H new ATOM 0 HB ILE A 30 2.817 3.482 9.677 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.958 6.291 9.743 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.789 4.913 10.436 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.908 5.073 8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.698 4.637 9.262 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.526 6.210 9.345 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.610 5.388 8.181 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.809 3.799 8.232 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.965 5.199 7.528 1.00 0.00 H new ATOM 449 N ALA A 31 2.580 2.332 12.122 1.00 0.00 N ATOM 450 CA ALA A 31 3.183 1.196 12.808 1.00 0.00 C ATOM 451 C ALA A 31 3.068 -0.074 11.972 1.00 0.00 C ATOM 452 O ALA A 31 1.983 -0.431 11.513 1.00 0.00 O ATOM 453 CB ALA A 31 2.533 0.995 14.169 1.00 0.00 C ATOM 0 H ALA A 31 1.740 2.106 11.589 1.00 0.00 H new ATOM 0 HA ALA A 31 4.242 1.411 12.952 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.993 0.143 14.670 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.672 1.891 14.774 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.467 0.807 14.039 1.00 0.00 H new ATOM 459 N VAL A 32 4.194 -0.753 11.777 1.00 0.00 N ATOM 460 CA VAL A 32 4.219 -1.984 10.997 1.00 0.00 C ATOM 461 C VAL A 32 4.150 -3.210 11.901 1.00 0.00 C ATOM 462 O VAL A 32 4.708 -3.217 12.998 1.00 0.00 O ATOM 463 CB VAL A 32 5.488 -2.072 10.127 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.455 -1.021 9.028 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.733 -1.918 10.987 1.00 0.00 C ATOM 0 H VAL A 32 5.101 -0.471 12.149 1.00 0.00 H new ATOM 0 HA VAL A 32 3.343 -1.965 10.348 1.00 0.00 H new ATOM 0 HB VAL A 32 5.519 -3.054 9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.359 -1.098 8.424 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.581 -1.182 8.396 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.401 -0.028 9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.620 -1.983 10.357 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.712 -0.950 11.487 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.760 -2.711 11.734 1.00 0.00 H new ATOM 475 N SER A 33 3.462 -4.246 11.432 1.00 0.00 N ATOM 476 CA SER A 33 3.317 -5.478 12.200 1.00 0.00 C ATOM 477 C SER A 33 3.571 -6.699 11.321 1.00 0.00 C ATOM 478 O SER A 33 3.173 -6.733 10.157 1.00 0.00 O ATOM 479 CB SER A 33 1.919 -5.559 12.814 1.00 0.00 C ATOM 480 OG SER A 33 1.887 -4.951 14.093 1.00 0.00 O ATOM 0 H SER A 33 2.996 -4.257 10.525 1.00 0.00 H new ATOM 0 HA SER A 33 4.057 -5.468 13.000 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.201 -5.068 12.157 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.615 -6.602 12.896 1.00 0.00 H new ATOM 0 HG SER A 33 0.982 -5.015 14.463 1.00 0.00 H new ATOM 486 N GLY A 34 4.238 -7.700 11.887 1.00 0.00 N ATOM 487 CA GLY A 34 4.534 -8.910 11.142 1.00 0.00 C ATOM 488 C GLY A 34 6.005 -9.032 10.797 1.00 0.00 C ATOM 489 O GLY A 34 6.854 -8.413 11.437 1.00 0.00 O ATOM 0 H GLY A 34 4.579 -7.695 12.848 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.228 -9.777 11.727 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.946 -8.921 10.224 1.00 0.00 H new ATOM 493 N GLY A 35 6.308 -9.836 9.782 1.00 0.00 N ATOM 494 CA GLY A 35 7.687 -10.025 9.372 1.00 0.00 C ATOM 495 C GLY A 35 7.887 -11.303 8.582 1.00 0.00 C ATOM 496 O GLY A 35 7.244 -12.316 8.855 1.00 0.00 O ATOM 0 H GLY A 35 5.623 -10.359 9.237 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.003 -9.175 8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.326 -10.043 10.255 1.00 0.00 H new ATOM 500 N ARG A 36 8.781 -11.256 7.599 1.00 0.00 N ATOM 501 CA ARG A 36 9.061 -12.418 6.765 1.00 0.00 C ATOM 502 C ARG A 36 9.213 -13.675 7.617 1.00 0.00 C ATOM 503 O ARG A 36 8.827 -14.768 7.203 1.00 0.00 O ATOM 504 CB ARG A 36 10.332 -12.189 5.945 1.00 0.00 C ATOM 505 CG ARG A 36 11.575 -11.979 6.793 1.00 0.00 C ATOM 506 CD ARG A 36 12.837 -11.983 5.944 1.00 0.00 C ATOM 507 NE ARG A 36 13.100 -13.296 5.361 1.00 0.00 N ATOM 508 CZ ARG A 36 14.001 -13.510 4.409 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.721 -12.503 3.934 1.00 0.00 N ATOM 510 NH2 ARG A 36 14.183 -14.734 3.930 1.00 0.00 N ATOM 0 H ARG A 36 9.323 -10.426 7.361 1.00 0.00 H new ATOM 0 HA ARG A 36 8.219 -12.559 6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.490 -13.045 5.289 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.189 -11.319 5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.497 -11.031 7.326 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.640 -12.764 7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.740 -11.245 5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.687 -11.681 6.556 1.00 0.00 H new ATOM 0 HE ARG A 36 12.562 -14.092 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.584 -11.561 4.300 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.412 -12.671 3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.631 -15.511 4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.875 -14.898 3.199 1.00 0.00 H new ATOM 524 N ASP A 37 9.778 -13.511 8.808 1.00 0.00 N ATOM 525 CA ASP A 37 9.981 -14.631 9.719 1.00 0.00 C ATOM 526 C ASP A 37 8.924 -14.635 10.819 1.00 0.00 C ATOM 527 O ASP A 37 8.757 -15.626 11.529 1.00 0.00 O ATOM 528 CB ASP A 37 11.378 -14.567 10.338 1.00 0.00 C ATOM 529 CG ASP A 37 12.432 -15.206 9.455 1.00 0.00 C ATOM 530 OD1 ASP A 37 12.313 -15.097 8.217 1.00 0.00 O ATOM 531 OD2 ASP A 37 13.375 -15.815 10.002 1.00 0.00 O ATOM 0 H ASP A 37 10.104 -12.613 9.165 1.00 0.00 H new ATOM 0 HA ASP A 37 9.888 -15.554 9.146 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.644 -13.526 10.521 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.367 -15.068 11.306 1.00 0.00 H new ATOM 536 N ASN A 38 8.214 -13.520 10.955 1.00 0.00 N ATOM 537 CA ASN A 38 7.174 -13.395 11.970 1.00 0.00 C ATOM 538 C ASN A 38 5.901 -12.802 11.374 1.00 0.00 C ATOM 539 O ASN A 38 5.430 -11.740 11.782 1.00 0.00 O ATOM 540 CB ASN A 38 7.664 -12.521 13.126 1.00 0.00 C ATOM 541 CG ASN A 38 6.717 -12.546 14.311 1.00 0.00 C ATOM 542 OD1 ASN A 38 5.645 -13.148 14.250 1.00 0.00 O ATOM 543 ND2 ASN A 38 7.110 -11.889 15.396 1.00 0.00 N ATOM 0 H ASN A 38 8.340 -12.690 10.375 1.00 0.00 H new ATOM 0 HA ASN A 38 6.947 -14.392 12.347 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.649 -12.863 13.444 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.780 -11.494 12.778 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.515 -11.869 16.224 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.007 -11.404 15.401 1.00 0.00 H new ATOM 550 N PRO A 39 5.328 -13.504 10.385 1.00 0.00 N ATOM 551 CA PRO A 39 4.101 -13.067 9.712 1.00 0.00 C ATOM 552 C PRO A 39 2.878 -13.160 10.618 1.00 0.00 C ATOM 553 O PRO A 39 2.098 -14.109 10.530 1.00 0.00 O ATOM 554 CB PRO A 39 3.973 -14.043 8.539 1.00 0.00 C ATOM 555 CG PRO A 39 4.705 -15.263 8.980 1.00 0.00 C ATOM 556 CD PRO A 39 5.834 -14.778 9.847 1.00 0.00 C ATOM 0 HA PRO A 39 4.152 -12.021 9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.928 -14.265 8.321 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.407 -13.628 7.629 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.048 -15.933 9.534 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.083 -15.822 8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.063 -15.487 10.642 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.749 -14.636 9.273 1.00 0.00 H new ATOM 564 N HIS A 40 2.716 -12.170 11.490 1.00 0.00 N ATOM 565 CA HIS A 40 1.587 -12.140 12.412 1.00 0.00 C ATOM 566 C HIS A 40 0.285 -12.467 11.687 1.00 0.00 C ATOM 567 O HIS A 40 -0.557 -13.202 12.204 1.00 0.00 O ATOM 568 CB HIS A 40 1.482 -10.768 13.079 1.00 0.00 C ATOM 569 CG HIS A 40 0.386 -10.678 14.095 1.00 0.00 C ATOM 570 ND1 HIS A 40 -0.904 -11.102 13.851 1.00 0.00 N ATOM 571 CD2 HIS A 40 0.392 -10.211 15.366 1.00 0.00 C ATOM 572 CE1 HIS A 40 -1.643 -10.898 14.927 1.00 0.00 C ATOM 573 NE2 HIS A 40 -0.880 -10.358 15.860 1.00 0.00 N ATOM 0 H HIS A 40 3.353 -11.378 11.577 1.00 0.00 H new ATOM 0 HA HIS A 40 1.756 -12.896 13.179 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.432 -10.533 13.560 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.318 -10.012 12.311 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.240 -9.799 15.893 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.692 -11.133 15.027 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.186 -10.093 16.796 1.00 0.00 H new ATOM 582 N PHE A 41 0.126 -11.917 10.488 1.00 0.00 N ATOM 583 CA PHE A 41 -1.074 -12.149 9.693 1.00 0.00 C ATOM 584 C PHE A 41 -1.645 -13.538 9.964 1.00 0.00 C ATOM 585 O PHE A 41 -1.158 -14.535 9.431 1.00 0.00 O ATOM 586 CB PHE A 41 -0.762 -11.995 8.203 1.00 0.00 C ATOM 587 CG PHE A 41 -1.923 -11.486 7.398 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.967 -12.329 7.052 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.971 -10.164 6.986 1.00 0.00 C ATOM 590 CE1 PHE A 41 -4.037 -11.864 6.311 1.00 0.00 C ATOM 591 CE2 PHE A 41 -3.039 -9.693 6.245 1.00 0.00 C ATOM 592 CZ PHE A 41 -4.072 -10.544 5.906 1.00 0.00 C ATOM 0 H PHE A 41 0.813 -11.307 10.045 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.819 -11.407 9.979 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.079 -11.312 8.085 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.448 -12.960 7.804 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.944 -13.362 7.365 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.165 -9.494 7.247 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.844 -12.532 6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.065 -8.660 5.931 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.906 -10.178 5.325 1.00 0.00 H new ATOM 602 N GLU A 42 -2.681 -13.594 10.795 1.00 0.00 N ATOM 603 CA GLU A 42 -3.317 -14.861 11.137 1.00 0.00 C ATOM 604 C GLU A 42 -3.245 -15.839 9.969 1.00 0.00 C ATOM 605 O GLU A 42 -2.918 -17.012 10.146 1.00 0.00 O ATOM 606 CB GLU A 42 -4.777 -14.632 11.536 1.00 0.00 C ATOM 607 CG GLU A 42 -5.290 -15.628 12.563 1.00 0.00 C ATOM 608 CD GLU A 42 -6.779 -15.886 12.431 1.00 0.00 C ATOM 609 OE1 GLU A 42 -7.198 -16.420 11.383 1.00 0.00 O ATOM 610 OE2 GLU A 42 -7.523 -15.554 13.377 1.00 0.00 O ATOM 0 H GLU A 42 -3.097 -12.778 11.243 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.780 -15.292 11.982 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.882 -13.624 11.936 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.402 -14.688 10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.751 -16.569 12.453 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.077 -15.254 13.564 1.00 0.00 H new ATOM 617 N ASN A 43 -3.553 -15.348 8.773 1.00 0.00 N ATOM 618 CA ASN A 43 -3.525 -16.178 7.574 1.00 0.00 C ATOM 619 C ASN A 43 -2.109 -16.665 7.283 1.00 0.00 C ATOM 620 O ASN A 43 -1.820 -17.857 7.372 1.00 0.00 O ATOM 621 CB ASN A 43 -4.064 -15.397 6.375 1.00 0.00 C ATOM 622 CG ASN A 43 -4.546 -16.307 5.261 1.00 0.00 C ATOM 623 OD1 ASN A 43 -4.768 -17.500 5.472 1.00 0.00 O ATOM 624 ND2 ASN A 43 -4.709 -15.747 4.068 1.00 0.00 N ATOM 0 H ASN A 43 -3.825 -14.379 8.608 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.160 -17.046 7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.886 -14.759 6.700 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.283 -14.740 5.992 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.030 -16.310 3.280 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.513 -14.754 3.939 1.00 0.00 H new ATOM 631 N GLY A 44 -1.227 -15.731 6.936 1.00 0.00 N ATOM 632 CA GLY A 44 0.148 -16.084 6.638 1.00 0.00 C ATOM 633 C GLY A 44 0.702 -15.313 5.456 1.00 0.00 C ATOM 634 O GLY A 44 0.904 -15.875 4.381 1.00 0.00 O ATOM 0 H GLY A 44 -1.441 -14.737 6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.767 -15.893 7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.209 -17.153 6.432 1.00 0.00 H new ATOM 638 N GLU A 45 0.945 -14.021 5.656 1.00 0.00 N ATOM 639 CA GLU A 45 1.475 -13.172 4.596 1.00 0.00 C ATOM 640 C GLU A 45 2.771 -12.496 5.038 1.00 0.00 C ATOM 641 O GLU A 45 2.774 -11.671 5.951 1.00 0.00 O ATOM 642 CB GLU A 45 0.446 -12.113 4.197 1.00 0.00 C ATOM 643 CG GLU A 45 0.935 -11.165 3.115 1.00 0.00 C ATOM 644 CD GLU A 45 0.605 -11.654 1.718 1.00 0.00 C ATOM 645 OE1 GLU A 45 -0.587 -11.908 1.446 1.00 0.00 O ATOM 646 OE2 GLU A 45 1.537 -11.782 0.898 1.00 0.00 O ATOM 0 H GLU A 45 0.783 -13.540 6.541 1.00 0.00 H new ATOM 0 HA GLU A 45 1.689 -13.803 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.459 -12.611 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.173 -11.534 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.487 -10.183 3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.014 -11.040 3.207 1.00 0.00 H new ATOM 653 N THR A 46 3.871 -12.854 4.382 1.00 0.00 N ATOM 654 CA THR A 46 5.173 -12.285 4.707 1.00 0.00 C ATOM 655 C THR A 46 5.357 -10.923 4.048 1.00 0.00 C ATOM 656 O THR A 46 6.338 -10.692 3.341 1.00 0.00 O ATOM 657 CB THR A 46 6.318 -13.215 4.265 1.00 0.00 C ATOM 658 OG1 THR A 46 6.133 -13.607 2.901 1.00 0.00 O ATOM 659 CG2 THR A 46 6.382 -14.452 5.149 1.00 0.00 C ATOM 0 H THR A 46 3.886 -13.535 3.623 1.00 0.00 H new ATOM 0 HA THR A 46 5.206 -12.169 5.790 1.00 0.00 H new ATOM 0 HB THR A 46 7.257 -12.669 4.361 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.866 -14.197 2.628 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.198 -15.094 4.818 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.553 -14.152 6.183 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.441 -14.997 5.080 1.00 0.00 H new ATOM 667 N SER A 47 4.409 -10.022 4.286 1.00 0.00 N ATOM 668 CA SER A 47 4.465 -8.683 3.713 1.00 0.00 C ATOM 669 C SER A 47 4.184 -7.625 4.776 1.00 0.00 C ATOM 670 O SER A 47 3.129 -7.633 5.411 1.00 0.00 O ATOM 671 CB SER A 47 3.459 -8.552 2.568 1.00 0.00 C ATOM 672 OG SER A 47 3.878 -9.290 1.434 1.00 0.00 O ATOM 0 H SER A 47 3.593 -10.196 4.872 1.00 0.00 H new ATOM 0 HA SER A 47 5.470 -8.523 3.323 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.482 -8.907 2.896 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.343 -7.502 2.300 1.00 0.00 H new ATOM 0 HG SER A 47 3.217 -9.191 0.717 1.00 0.00 H new ATOM 678 N ILE A 48 5.135 -6.716 4.963 1.00 0.00 N ATOM 679 CA ILE A 48 4.990 -5.651 5.947 1.00 0.00 C ATOM 680 C ILE A 48 3.755 -4.804 5.662 1.00 0.00 C ATOM 681 O ILE A 48 3.631 -4.207 4.593 1.00 0.00 O ATOM 682 CB ILE A 48 6.230 -4.738 5.975 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.482 -5.551 6.309 1.00 0.00 C ATOM 684 CG2 ILE A 48 6.037 -3.614 6.982 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.368 -6.334 7.599 1.00 0.00 C ATOM 0 H ILE A 48 6.014 -6.696 4.446 1.00 0.00 H new ATOM 0 HA ILE A 48 4.881 -6.132 6.919 1.00 0.00 H new ATOM 0 HB ILE A 48 6.360 -4.296 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.686 -6.242 5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.336 -4.877 6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.922 -2.977 6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.166 -3.021 6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.885 -4.037 7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.292 -6.886 7.772 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.195 -5.647 8.427 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.535 -7.033 7.528 1.00 0.00 H new ATOM 697 N VAL A 49 2.843 -4.753 6.628 1.00 0.00 N ATOM 698 CA VAL A 49 1.618 -3.976 6.483 1.00 0.00 C ATOM 699 C VAL A 49 1.451 -2.993 7.636 1.00 0.00 C ATOM 700 O VAL A 49 1.903 -3.248 8.753 1.00 0.00 O ATOM 701 CB VAL A 49 0.379 -4.889 6.418 1.00 0.00 C ATOM 702 CG1 VAL A 49 0.071 -5.270 4.978 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.586 -6.130 7.273 1.00 0.00 C ATOM 0 H VAL A 49 2.930 -5.241 7.520 1.00 0.00 H new ATOM 0 HA VAL A 49 1.703 -3.423 5.547 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.475 -4.341 6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.807 -5.915 4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.124 -4.369 4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.923 -5.800 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.299 -6.763 7.215 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.452 -6.683 6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.754 -5.834 8.309 1.00 0.00 H new ATOM 713 N ILE A 50 0.798 -1.869 7.359 1.00 0.00 N ATOM 714 CA ILE A 50 0.570 -0.848 8.373 1.00 0.00 C ATOM 715 C ILE A 50 -0.651 -1.182 9.224 1.00 0.00 C ATOM 716 O ILE A 50 -1.789 -1.038 8.777 1.00 0.00 O ATOM 717 CB ILE A 50 0.376 0.542 7.740 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.669 1.002 7.062 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.063 1.548 8.793 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.757 1.393 8.038 1.00 0.00 C ATOM 0 H ILE A 50 0.418 -1.643 6.440 1.00 0.00 H new ATOM 0 HA ILE A 50 1.457 -0.828 9.006 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.406 0.474 6.983 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.038 0.202 6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.449 1.852 6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.196 2.526 8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.006 1.225 9.234 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.697 1.616 9.571 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.643 1.708 7.488 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.407 2.214 8.663 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.005 0.538 8.667 1.00 0.00 H new ATOM 732 N SER A 51 -0.406 -1.626 10.452 1.00 0.00 N ATOM 733 CA SER A 51 -1.486 -1.982 11.366 1.00 0.00 C ATOM 734 C SER A 51 -1.836 -0.808 12.276 1.00 0.00 C ATOM 735 O SER A 51 -2.541 -0.970 13.272 1.00 0.00 O ATOM 736 CB SER A 51 -1.090 -3.195 12.209 1.00 0.00 C ATOM 737 OG SER A 51 -2.230 -3.947 12.587 1.00 0.00 O ATOM 0 H SER A 51 0.530 -1.748 10.838 1.00 0.00 H new ATOM 0 HA SER A 51 -2.364 -2.233 10.771 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.405 -3.827 11.644 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.557 -2.864 13.100 1.00 0.00 H new ATOM 0 HG SER A 51 -1.950 -4.718 13.124 1.00 0.00 H new ATOM 743 N ASP A 52 -1.339 0.373 11.926 1.00 0.00 N ATOM 744 CA ASP A 52 -1.599 1.575 12.710 1.00 0.00 C ATOM 745 C ASP A 52 -1.433 2.827 11.855 1.00 0.00 C ATOM 746 O ASP A 52 -0.371 3.061 11.277 1.00 0.00 O ATOM 747 CB ASP A 52 -0.660 1.636 13.915 1.00 0.00 C ATOM 748 CG ASP A 52 -0.705 0.371 14.749 1.00 0.00 C ATOM 749 OD1 ASP A 52 -0.246 -0.680 14.257 1.00 0.00 O ATOM 750 OD2 ASP A 52 -1.200 0.432 15.895 1.00 0.00 O ATOM 0 H ASP A 52 -0.754 0.524 11.104 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.629 1.533 13.064 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.360 1.803 13.569 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.929 2.489 14.539 1.00 0.00 H new ATOM 755 N VAL A 53 -2.490 3.630 11.778 1.00 0.00 N ATOM 756 CA VAL A 53 -2.461 4.859 10.994 1.00 0.00 C ATOM 757 C VAL A 53 -2.981 6.040 11.805 1.00 0.00 C ATOM 758 O VAL A 53 -4.187 6.285 11.864 1.00 0.00 O ATOM 759 CB VAL A 53 -3.299 4.724 9.709 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.448 6.074 9.024 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.672 3.706 8.769 1.00 0.00 C ATOM 0 H VAL A 53 -3.377 3.451 12.249 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.420 5.038 10.723 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.294 4.370 9.980 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.043 5.959 8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.945 6.771 9.698 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.463 6.461 8.764 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.277 3.623 7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.665 4.028 8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.624 2.736 9.263 1.00 0.00 H new ATOM 771 N LEU A 54 -2.064 6.771 12.429 1.00 0.00 N ATOM 772 CA LEU A 54 -2.429 7.929 13.238 1.00 0.00 C ATOM 773 C LEU A 54 -3.667 8.619 12.673 1.00 0.00 C ATOM 774 O LEU A 54 -3.630 9.245 11.614 1.00 0.00 O ATOM 775 CB LEU A 54 -1.265 8.919 13.302 1.00 0.00 C ATOM 776 CG LEU A 54 -1.152 9.741 14.586 1.00 0.00 C ATOM 777 CD1 LEU A 54 -0.785 8.849 15.761 1.00 0.00 C ATOM 778 CD2 LEU A 54 -0.128 10.855 14.419 1.00 0.00 C ATOM 0 H LEU A 54 -1.062 6.583 12.390 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.657 7.580 14.245 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.336 8.366 13.166 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.353 9.607 12.461 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.122 10.194 14.790 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.709 9.452 16.666 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.555 8.089 15.895 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.172 8.366 15.566 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.061 11.429 15.343 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.846 10.423 14.189 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.434 11.512 13.605 1.00 0.00 H new ATOM 790 N PRO A 55 -4.790 8.505 13.398 1.00 0.00 N ATOM 791 CA PRO A 55 -6.060 9.113 12.990 1.00 0.00 C ATOM 792 C PRO A 55 -6.033 10.635 13.091 1.00 0.00 C ATOM 793 O PRO A 55 -6.963 11.312 12.655 1.00 0.00 O ATOM 794 CB PRO A 55 -7.068 8.529 13.983 1.00 0.00 C ATOM 795 CG PRO A 55 -6.259 8.184 15.185 1.00 0.00 C ATOM 796 CD PRO A 55 -4.907 7.774 14.670 1.00 0.00 C ATOM 0 HA PRO A 55 -6.297 8.902 11.947 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.849 9.250 14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.563 7.649 13.573 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.178 9.037 15.859 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.723 7.375 15.749 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.113 8.047 15.365 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.844 6.696 14.521 1.00 0.00 H new ATOM 804 N GLY A 56 -4.960 11.166 13.669 1.00 0.00 N ATOM 805 CA GLY A 56 -4.832 12.604 13.816 1.00 0.00 C ATOM 806 C GLY A 56 -3.446 13.102 13.459 1.00 0.00 C ATOM 807 O GLY A 56 -2.968 14.085 14.024 1.00 0.00 O ATOM 0 H GLY A 56 -4.177 10.626 14.038 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.567 13.098 13.181 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.061 12.883 14.845 1.00 0.00 H new ATOM 811 N GLY A 57 -2.797 12.421 12.520 1.00 0.00 N ATOM 812 CA GLY A 57 -1.463 12.814 12.106 1.00 0.00 C ATOM 813 C GLY A 57 -1.333 12.927 10.600 1.00 0.00 C ATOM 814 O GLY A 57 -2.319 13.081 9.880 1.00 0.00 O ATOM 0 H GLY A 57 -3.171 11.604 12.038 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.212 13.772 12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.742 12.086 12.476 1.00 0.00 H new ATOM 818 N PRO A 58 -0.089 12.851 10.102 1.00 0.00 N ATOM 819 CA PRO A 58 0.196 12.945 8.668 1.00 0.00 C ATOM 820 C PRO A 58 -0.291 11.722 7.899 1.00 0.00 C ATOM 821 O PRO A 58 -0.677 11.822 6.734 1.00 0.00 O ATOM 822 CB PRO A 58 1.723 13.036 8.615 1.00 0.00 C ATOM 823 CG PRO A 58 2.185 12.376 9.868 1.00 0.00 C ATOM 824 CD PRO A 58 1.133 12.668 10.902 1.00 0.00 C ATOM 0 HA PRO A 58 -0.312 13.792 8.206 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.119 12.533 7.733 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.056 14.073 8.567 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.302 11.302 9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.155 12.764 10.178 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.029 11.848 11.613 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.373 13.561 11.479 1.00 0.00 H new ATOM 832 N ALA A 59 -0.271 10.568 8.557 1.00 0.00 N ATOM 833 CA ALA A 59 -0.714 9.326 7.936 1.00 0.00 C ATOM 834 C ALA A 59 -2.212 9.356 7.656 1.00 0.00 C ATOM 835 O ALA A 59 -2.661 8.951 6.583 1.00 0.00 O ATOM 836 CB ALA A 59 -0.364 8.139 8.821 1.00 0.00 C ATOM 0 H ALA A 59 0.047 10.467 9.521 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.195 9.220 6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.701 7.218 8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.716 8.099 8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.856 8.248 9.788 1.00 0.00 H new ATOM 842 N ASP A 60 -2.981 9.837 8.626 1.00 0.00 N ATOM 843 CA ASP A 60 -4.430 9.920 8.484 1.00 0.00 C ATOM 844 C ASP A 60 -4.810 10.569 7.156 1.00 0.00 C ATOM 845 O ASP A 60 -4.914 11.791 7.059 1.00 0.00 O ATOM 846 CB ASP A 60 -5.034 10.712 9.644 1.00 0.00 C ATOM 847 CG ASP A 60 -6.276 11.480 9.237 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.079 10.935 8.451 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.445 12.626 9.704 1.00 0.00 O ATOM 0 H ASP A 60 -2.625 10.176 9.520 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.830 8.906 8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.283 10.029 10.456 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.290 11.409 10.031 1.00 0.00 H new ATOM 854 N GLY A 61 -5.013 9.742 6.135 1.00 0.00 N ATOM 855 CA GLY A 61 -5.377 10.254 4.827 1.00 0.00 C ATOM 856 C GLY A 61 -4.458 9.752 3.731 1.00 0.00 C ATOM 857 O GLY A 61 -4.918 9.233 2.714 1.00 0.00 O ATOM 0 H GLY A 61 -4.932 8.727 6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.402 9.963 4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.352 11.344 4.847 1.00 0.00 H new ATOM 861 N LEU A 62 -3.155 9.908 3.937 1.00 0.00 N ATOM 862 CA LEU A 62 -2.167 9.467 2.958 1.00 0.00 C ATOM 863 C LEU A 62 -2.123 7.945 2.876 1.00 0.00 C ATOM 864 O LEU A 62 -2.184 7.368 1.789 1.00 0.00 O ATOM 865 CB LEU A 62 -0.784 10.011 3.319 1.00 0.00 C ATOM 866 CG LEU A 62 -0.640 11.533 3.321 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.655 11.946 4.003 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.692 12.075 1.900 1.00 0.00 C ATOM 0 H LEU A 62 -2.758 10.337 4.773 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.460 9.856 1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.517 9.640 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.059 9.599 2.617 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.473 11.957 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.740 13.033 3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.653 11.590 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.501 11.512 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.588 13.160 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.121 11.643 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.646 11.810 1.444 1.00 0.00 H new ATOM 880 N LEU A 63 -2.018 7.298 4.032 1.00 0.00 N ATOM 881 CA LEU A 63 -1.968 5.842 4.093 1.00 0.00 C ATOM 882 C LEU A 63 -3.141 5.289 4.896 1.00 0.00 C ATOM 883 O LEU A 63 -3.875 6.041 5.537 1.00 0.00 O ATOM 884 CB LEU A 63 -0.648 5.382 4.714 1.00 0.00 C ATOM 885 CG LEU A 63 0.567 5.382 3.785 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.824 4.999 4.551 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.343 4.436 2.615 1.00 0.00 C ATOM 0 H LEU A 63 -1.966 7.760 4.940 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.036 5.459 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.428 6.024 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.784 4.372 5.101 1.00 0.00 H new ATOM 0 HG LEU A 63 0.700 6.389 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.678 5.004 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.993 5.716 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.703 4.002 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.217 4.449 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.184 3.425 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.533 4.756 2.051 1.00 0.00 H new ATOM 899 N GLN A 64 -3.309 3.971 4.859 1.00 0.00 N ATOM 900 CA GLN A 64 -4.391 3.319 5.586 1.00 0.00 C ATOM 901 C GLN A 64 -3.926 1.995 6.184 1.00 0.00 C ATOM 902 O GLN A 64 -2.838 1.512 5.872 1.00 0.00 O ATOM 903 CB GLN A 64 -5.585 3.081 4.659 1.00 0.00 C ATOM 904 CG GLN A 64 -6.172 4.360 4.084 1.00 0.00 C ATOM 905 CD GLN A 64 -7.585 4.172 3.567 1.00 0.00 C ATOM 906 OE1 GLN A 64 -8.557 4.496 4.251 1.00 0.00 O ATOM 907 NE2 GLN A 64 -7.707 3.647 2.354 1.00 0.00 N ATOM 0 H GLN A 64 -2.710 3.334 4.334 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.696 3.977 6.400 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.275 2.433 3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.362 2.550 5.209 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.170 5.134 4.852 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.536 4.714 3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.875 3.393 1.822 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.633 3.498 1.954 1.00 0.00 H new ATOM 916 N GLU A 65 -4.756 1.415 7.044 1.00 0.00 N ATOM 917 CA GLU A 65 -4.428 0.148 7.687 1.00 0.00 C ATOM 918 C GLU A 65 -4.445 -0.995 6.676 1.00 0.00 C ATOM 919 O GLU A 65 -5.323 -1.064 5.817 1.00 0.00 O ATOM 920 CB GLU A 65 -5.412 -0.145 8.821 1.00 0.00 C ATOM 921 CG GLU A 65 -4.799 -0.922 9.974 1.00 0.00 C ATOM 922 CD GLU A 65 -5.805 -1.809 10.680 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.630 -1.275 11.451 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.768 -3.038 10.461 1.00 0.00 O ATOM 0 H GLU A 65 -5.661 1.802 7.312 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.423 0.230 8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.808 0.797 9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.256 -0.708 8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.980 -1.535 9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.371 -0.222 10.692 1.00 0.00 H new ATOM 931 N ASN A 66 -3.468 -1.889 6.785 1.00 0.00 N ATOM 932 CA ASN A 66 -3.369 -3.028 5.880 1.00 0.00 C ATOM 933 C ASN A 66 -2.883 -2.589 4.503 1.00 0.00 C ATOM 934 O ASN A 66 -3.250 -3.178 3.486 1.00 0.00 O ATOM 935 CB ASN A 66 -4.725 -3.726 5.756 1.00 0.00 C ATOM 936 CG ASN A 66 -5.457 -3.807 7.082 1.00 0.00 C ATOM 937 OD1 ASN A 66 -6.504 -3.003 7.230 1.00 0.00 O flip ATOM 938 ND2 ASN A 66 -5.086 -4.584 7.962 1.00 0.00 N flip ATOM 0 H ASN A 66 -2.733 -1.847 7.491 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.644 -3.728 6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.342 -3.189 5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.578 -4.732 5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.276 -5.183 7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.589 -4.628 8.848 1.00 0.00 H new ATOM 945 N ASP A 67 -2.055 -1.551 4.477 1.00 0.00 N ATOM 946 CA ASP A 67 -1.516 -1.032 3.225 1.00 0.00 C ATOM 947 C ASP A 67 -0.289 -1.828 2.791 1.00 0.00 C ATOM 948 O ASP A 67 0.846 -1.389 2.977 1.00 0.00 O ATOM 949 CB ASP A 67 -1.153 0.446 3.374 1.00 0.00 C ATOM 950 CG ASP A 67 -0.030 0.669 4.368 1.00 0.00 C ATOM 951 OD1 ASP A 67 0.353 -0.299 5.057 1.00 0.00 O ATOM 952 OD2 ASP A 67 0.465 1.813 4.457 1.00 0.00 O ATOM 0 H ASP A 67 -1.742 -1.052 5.309 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.284 -1.134 2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.859 0.845 2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.034 1.003 3.694 1.00 0.00 H new ATOM 957 N ARG A 68 -0.526 -3.001 2.212 1.00 0.00 N ATOM 958 CA ARG A 68 0.560 -3.860 1.754 1.00 0.00 C ATOM 959 C ARG A 68 1.725 -3.027 1.226 1.00 0.00 C ATOM 960 O ARG A 68 1.696 -2.548 0.092 1.00 0.00 O ATOM 961 CB ARG A 68 0.062 -4.809 0.663 1.00 0.00 C ATOM 962 CG ARG A 68 -0.400 -6.157 1.192 1.00 0.00 C ATOM 963 CD ARG A 68 -1.586 -6.009 2.132 1.00 0.00 C ATOM 964 NE ARG A 68 -2.852 -5.923 1.408 1.00 0.00 N ATOM 965 CZ ARG A 68 -4.023 -6.268 1.931 1.00 0.00 C ATOM 966 NH1 ARG A 68 -4.090 -6.719 3.176 1.00 0.00 N ATOM 967 NH2 ARG A 68 -5.131 -6.161 1.209 1.00 0.00 N ATOM 0 H ARG A 68 -1.460 -3.378 2.049 1.00 0.00 H new ATOM 0 HA ARG A 68 0.910 -4.446 2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.763 -4.335 0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.861 -4.967 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.674 -6.802 0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.422 -6.645 1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.616 -6.859 2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.456 -5.115 2.742 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.836 -5.579 0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.241 -6.802 3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.991 -6.983 3.575 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.084 -5.813 0.251 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.030 -6.426 1.612 1.00 0.00 H new ATOM 981 N VAL A 69 2.749 -2.859 2.056 1.00 0.00 N ATOM 982 CA VAL A 69 3.925 -2.086 1.673 1.00 0.00 C ATOM 983 C VAL A 69 4.815 -2.875 0.720 1.00 0.00 C ATOM 984 O VAL A 69 5.143 -4.034 0.975 1.00 0.00 O ATOM 985 CB VAL A 69 4.750 -1.672 2.905 1.00 0.00 C ATOM 986 CG1 VAL A 69 5.950 -0.836 2.488 1.00 0.00 C ATOM 987 CG2 VAL A 69 3.881 -0.914 3.898 1.00 0.00 C ATOM 0 H VAL A 69 2.788 -3.248 2.998 1.00 0.00 H new ATOM 0 HA VAL A 69 3.564 -1.189 1.169 1.00 0.00 H new ATOM 0 HB VAL A 69 5.118 -2.574 3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.521 -0.553 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.583 -1.417 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.607 0.062 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.480 -0.629 4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.482 -0.018 3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.058 -1.551 4.221 1.00 0.00 H new ATOM 997 N VAL A 70 5.205 -2.239 -0.380 1.00 0.00 N ATOM 998 CA VAL A 70 6.060 -2.881 -1.372 1.00 0.00 C ATOM 999 C VAL A 70 7.459 -2.274 -1.367 1.00 0.00 C ATOM 1000 O VAL A 70 8.456 -2.989 -1.278 1.00 0.00 O ATOM 1001 CB VAL A 70 5.466 -2.761 -2.788 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.299 -3.551 -3.786 1.00 0.00 C ATOM 1003 CG2 VAL A 70 4.019 -3.230 -2.799 1.00 0.00 C ATOM 0 H VAL A 70 4.943 -1.280 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 70 6.123 -3.935 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 70 5.487 -1.712 -3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.864 -3.454 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.318 -3.164 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.313 -4.602 -3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.615 -3.139 -3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.972 -4.272 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.432 -2.616 -2.116 1.00 0.00 H new ATOM 1013 N MET A 71 7.524 -0.950 -1.462 1.00 0.00 N ATOM 1014 CA MET A 71 8.801 -0.246 -1.467 1.00 0.00 C ATOM 1015 C MET A 71 8.752 0.975 -0.554 1.00 0.00 C ATOM 1016 O MET A 71 7.688 1.552 -0.329 1.00 0.00 O ATOM 1017 CB MET A 71 9.167 0.181 -2.890 1.00 0.00 C ATOM 1018 CG MET A 71 10.373 1.103 -2.956 1.00 0.00 C ATOM 1019 SD MET A 71 11.308 0.915 -4.487 1.00 0.00 S ATOM 1020 CE MET A 71 12.222 -0.586 -4.143 1.00 0.00 C ATOM 0 H MET A 71 6.708 -0.343 -1.537 1.00 0.00 H new ATOM 0 HA MET A 71 9.565 -0.928 -1.092 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.367 -0.708 -3.487 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.311 0.683 -3.342 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.041 2.137 -2.862 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.027 0.900 -2.108 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.280 -0.350 -4.032 1.00 0.00 H new ATOM 0 HE2 MET A 71 11.852 -1.034 -3.221 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.091 -1.289 -4.966 1.00 0.00 H new ATOM 1030 N VAL A 72 9.910 1.364 -0.031 1.00 0.00 N ATOM 1031 CA VAL A 72 10.000 2.517 0.857 1.00 0.00 C ATOM 1032 C VAL A 72 11.278 3.308 0.604 1.00 0.00 C ATOM 1033 O VAL A 72 12.367 2.889 0.995 1.00 0.00 O ATOM 1034 CB VAL A 72 9.957 2.090 2.337 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.123 3.299 3.246 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.660 1.357 2.642 1.00 0.00 C ATOM 0 H VAL A 72 10.800 0.897 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 72 9.138 3.149 0.644 1.00 0.00 H new ATOM 0 HB VAL A 72 10.786 1.407 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.090 2.979 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.081 3.777 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.317 4.008 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.647 1.063 3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.814 2.014 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.588 0.468 2.015 1.00 0.00 H new ATOM 1046 N ASN A 73 11.137 4.455 -0.052 1.00 0.00 N ATOM 1047 CA ASN A 73 12.282 5.306 -0.357 1.00 0.00 C ATOM 1048 C ASN A 73 13.290 4.568 -1.233 1.00 0.00 C ATOM 1049 O ASN A 73 14.489 4.838 -1.180 1.00 0.00 O ATOM 1050 CB ASN A 73 12.956 5.772 0.934 1.00 0.00 C ATOM 1051 CG ASN A 73 12.360 7.062 1.465 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.740 7.823 0.723 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.545 7.311 2.756 1.00 0.00 N ATOM 0 H ASN A 73 10.242 4.817 -0.382 1.00 0.00 H new ATOM 0 HA ASN A 73 11.920 6.177 -0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.862 4.993 1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.021 5.915 0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.166 8.162 3.171 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.066 6.651 3.333 1.00 0.00 H new ATOM 1060 N GLY A 74 12.793 3.635 -2.040 1.00 0.00 N ATOM 1061 CA GLY A 74 13.664 2.872 -2.916 1.00 0.00 C ATOM 1062 C GLY A 74 14.166 1.598 -2.268 1.00 0.00 C ATOM 1063 O GLY A 74 15.208 1.065 -2.653 1.00 0.00 O ATOM 0 H GLY A 74 11.804 3.394 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.126 2.623 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.515 3.489 -3.204 1.00 0.00 H new ATOM 1067 N THR A 75 13.426 1.107 -1.278 1.00 0.00 N ATOM 1068 CA THR A 75 13.804 -0.111 -0.573 1.00 0.00 C ATOM 1069 C THR A 75 12.659 -1.117 -0.560 1.00 0.00 C ATOM 1070 O THR A 75 11.536 -0.809 -0.160 1.00 0.00 O ATOM 1071 CB THR A 75 14.227 0.187 0.877 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.227 1.212 0.895 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.765 -1.065 1.553 1.00 0.00 C ATOM 0 H THR A 75 12.561 1.535 -0.947 1.00 0.00 H new ATOM 0 HA THR A 75 14.652 -0.536 -1.110 1.00 0.00 H new ATOM 0 HB THR A 75 13.348 0.527 1.425 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.981 1.897 1.551 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.057 -0.829 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.992 -1.833 1.564 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.632 -1.431 1.003 1.00 0.00 H new ATOM 1081 N PRO A 76 12.946 -2.349 -1.006 1.00 0.00 N ATOM 1082 CA PRO A 76 11.952 -3.425 -1.054 1.00 0.00 C ATOM 1083 C PRO A 76 11.560 -3.914 0.336 1.00 0.00 C ATOM 1084 O PRO A 76 12.415 -4.301 1.132 1.00 0.00 O ATOM 1085 CB PRO A 76 12.667 -4.534 -1.829 1.00 0.00 C ATOM 1086 CG PRO A 76 14.118 -4.278 -1.605 1.00 0.00 C ATOM 1087 CD PRO A 76 14.263 -2.785 -1.499 1.00 0.00 C ATOM 0 HA PRO A 76 11.019 -3.098 -1.514 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.378 -5.520 -1.466 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.418 -4.500 -2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.465 -4.769 -0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.715 -4.671 -2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.062 -2.507 -0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.501 -2.335 -2.463 1.00 0.00 H new ATOM 1095 N MET A 77 10.262 -3.894 0.621 1.00 0.00 N ATOM 1096 CA MET A 77 9.757 -4.338 1.915 1.00 0.00 C ATOM 1097 C MET A 77 9.065 -5.692 1.794 1.00 0.00 C ATOM 1098 O MET A 77 8.343 -6.113 2.697 1.00 0.00 O ATOM 1099 CB MET A 77 8.785 -3.305 2.488 1.00 0.00 C ATOM 1100 CG MET A 77 9.285 -1.874 2.380 1.00 0.00 C ATOM 1101 SD MET A 77 10.299 -1.383 3.788 1.00 0.00 S ATOM 1102 CE MET A 77 11.941 -1.512 3.083 1.00 0.00 C ATOM 0 H MET A 77 9.541 -3.575 -0.026 1.00 0.00 H new ATOM 0 HA MET A 77 10.605 -4.443 2.591 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.831 -3.388 1.967 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.597 -3.537 3.536 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.865 -1.764 1.464 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.432 -1.200 2.299 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.685 -1.361 3.865 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.072 -2.501 2.644 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.066 -0.753 2.311 1.00 0.00 H new ATOM 1112 N GLU A 78 9.291 -6.369 0.672 1.00 0.00 N ATOM 1113 CA GLU A 78 8.688 -7.675 0.434 1.00 0.00 C ATOM 1114 C GLU A 78 9.590 -8.793 0.950 1.00 0.00 C ATOM 1115 O GLU A 78 10.754 -8.895 0.563 1.00 0.00 O ATOM 1116 CB GLU A 78 8.417 -7.872 -1.059 1.00 0.00 C ATOM 1117 CG GLU A 78 9.636 -7.637 -1.935 1.00 0.00 C ATOM 1118 CD GLU A 78 9.541 -8.349 -3.270 1.00 0.00 C ATOM 1119 OE1 GLU A 78 9.316 -9.577 -3.274 1.00 0.00 O ATOM 1120 OE2 GLU A 78 9.693 -7.677 -4.312 1.00 0.00 O ATOM 0 H GLU A 78 9.887 -6.035 -0.085 1.00 0.00 H new ATOM 0 HA GLU A 78 7.743 -7.714 0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.052 -8.886 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.622 -7.194 -1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.755 -6.567 -2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.528 -7.977 -1.409 1.00 0.00 H new ATOM 1127 N ASP A 79 9.043 -9.628 1.826 1.00 0.00 N ATOM 1128 CA ASP A 79 9.796 -10.739 2.396 1.00 0.00 C ATOM 1129 C ASP A 79 10.974 -10.231 3.222 1.00 0.00 C ATOM 1130 O ASP A 79 12.094 -10.726 3.095 1.00 0.00 O ATOM 1131 CB ASP A 79 10.297 -11.666 1.287 1.00 0.00 C ATOM 1132 CG ASP A 79 10.376 -13.113 1.733 1.00 0.00 C ATOM 1133 OD1 ASP A 79 11.296 -13.445 2.510 1.00 0.00 O ATOM 1134 OD2 ASP A 79 9.517 -13.913 1.306 1.00 0.00 O ATOM 0 H ASP A 79 8.081 -9.557 2.157 1.00 0.00 H new ATOM 0 HA ASP A 79 9.129 -11.298 3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.633 -11.590 0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.283 -11.336 0.959 1.00 0.00 H new ATOM 1139 N VAL A 80 10.713 -9.238 4.066 1.00 0.00 N ATOM 1140 CA VAL A 80 11.752 -8.662 4.913 1.00 0.00 C ATOM 1141 C VAL A 80 11.343 -8.693 6.381 1.00 0.00 C ATOM 1142 O VAL A 80 10.186 -8.957 6.710 1.00 0.00 O ATOM 1143 CB VAL A 80 12.063 -7.209 4.508 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.445 -7.134 3.038 1.00 0.00 C ATOM 1145 CG2 VAL A 80 10.875 -6.307 4.806 1.00 0.00 C ATOM 0 H VAL A 80 9.792 -8.816 4.182 1.00 0.00 H new ATOM 0 HA VAL A 80 12.647 -9.269 4.776 1.00 0.00 H new ATOM 0 HB VAL A 80 12.911 -6.860 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.661 -6.100 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.329 -7.747 2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.620 -7.501 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.112 -5.284 4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.006 -6.652 4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.654 -6.337 5.873 1.00 0.00 H new ATOM 1155 N LEU A 81 12.301 -8.422 7.261 1.00 0.00 N ATOM 1156 CA LEU A 81 12.041 -8.417 8.697 1.00 0.00 C ATOM 1157 C LEU A 81 11.442 -7.086 9.138 1.00 0.00 C ATOM 1158 O LEU A 81 11.791 -6.030 8.609 1.00 0.00 O ATOM 1159 CB LEU A 81 13.334 -8.689 9.469 1.00 0.00 C ATOM 1160 CG LEU A 81 13.873 -10.118 9.394 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.216 -10.219 10.100 1.00 0.00 C ATOM 1162 CD2 LEU A 81 12.876 -11.097 9.998 1.00 0.00 C ATOM 0 H LEU A 81 13.264 -8.203 7.006 1.00 0.00 H new ATOM 0 HA LEU A 81 11.322 -9.207 8.914 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.104 -8.012 9.099 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.167 -8.440 10.517 1.00 0.00 H new ATOM 0 HG LEU A 81 14.016 -10.377 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.584 -11.243 10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 81 15.929 -9.547 9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.098 -9.940 11.147 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.276 -12.109 9.936 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.701 -10.840 11.043 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.936 -11.044 9.449 1.00 0.00 H new ATOM 1174 N HIS A 82 10.539 -7.143 10.112 1.00 0.00 N ATOM 1175 CA HIS A 82 9.893 -5.941 10.627 1.00 0.00 C ATOM 1176 C HIS A 82 10.914 -4.830 10.853 1.00 0.00 C ATOM 1177 O HIS A 82 10.708 -3.690 10.436 1.00 0.00 O ATOM 1178 CB HIS A 82 9.161 -6.250 11.933 1.00 0.00 C ATOM 1179 CG HIS A 82 8.910 -5.040 12.780 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.765 -4.251 13.471 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.652 -4.517 12.991 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 9.016 -3.275 14.081 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.744 -3.457 13.774 1.00 0.00 N flip ATOM 0 H HIS A 82 10.238 -8.008 10.560 1.00 0.00 H new ATOM 0 HA HIS A 82 9.170 -5.601 9.886 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.208 -6.726 11.702 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.746 -6.970 12.506 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.735 -4.912 12.580 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.404 -2.487 14.709 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.965 -2.878 14.088 1.00 0.00 H new ATOM 1192 N SER A 83 12.014 -5.170 11.517 1.00 0.00 N ATOM 1193 CA SER A 83 13.065 -4.200 11.803 1.00 0.00 C ATOM 1194 C SER A 83 13.565 -3.547 10.518 1.00 0.00 C ATOM 1195 O SER A 83 13.779 -2.335 10.466 1.00 0.00 O ATOM 1196 CB SER A 83 14.228 -4.876 12.531 1.00 0.00 C ATOM 1197 OG SER A 83 14.950 -5.729 11.658 1.00 0.00 O ATOM 0 H SER A 83 12.201 -6.110 11.867 1.00 0.00 H new ATOM 0 HA SER A 83 12.646 -3.425 12.445 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.896 -4.117 12.938 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.848 -5.452 13.375 1.00 0.00 H new ATOM 0 HG SER A 83 15.689 -6.148 12.147 1.00 0.00 H new ATOM 1203 N PHE A 84 13.750 -4.358 9.482 1.00 0.00 N ATOM 1204 CA PHE A 84 14.226 -3.861 8.197 1.00 0.00 C ATOM 1205 C PHE A 84 13.247 -2.849 7.608 1.00 0.00 C ATOM 1206 O PHE A 84 13.652 -1.856 7.005 1.00 0.00 O ATOM 1207 CB PHE A 84 14.427 -5.021 7.219 1.00 0.00 C ATOM 1208 CG PHE A 84 14.950 -4.592 5.878 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.295 -4.314 5.701 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.095 -4.466 4.795 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.780 -3.919 4.469 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.574 -4.072 3.560 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.918 -3.797 3.397 1.00 0.00 C ATOM 0 H PHE A 84 13.577 -5.363 9.507 1.00 0.00 H new ATOM 0 HA PHE A 84 15.182 -3.363 8.361 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.120 -5.739 7.657 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.477 -5.538 7.081 1.00 0.00 H new ATOM 0 HD1 PHE A 84 16.973 -4.407 6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.043 -4.678 4.917 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.831 -3.706 4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.898 -3.979 2.723 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.294 -3.487 2.433 1.00 0.00 H new ATOM 1223 N ALA A 85 11.956 -3.111 7.788 1.00 0.00 N ATOM 1224 CA ALA A 85 10.919 -2.223 7.277 1.00 0.00 C ATOM 1225 C ALA A 85 10.945 -0.878 7.994 1.00 0.00 C ATOM 1226 O ALA A 85 11.061 0.172 7.362 1.00 0.00 O ATOM 1227 CB ALA A 85 9.551 -2.874 7.420 1.00 0.00 C ATOM 0 H ALA A 85 11.604 -3.930 8.283 1.00 0.00 H new ATOM 0 HA ALA A 85 11.116 -2.044 6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.785 -2.200 7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.531 -3.807 6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.355 -3.082 8.472 1.00 0.00 H new ATOM 1233 N VAL A 86 10.835 -0.916 9.319 1.00 0.00 N ATOM 1234 CA VAL A 86 10.847 0.300 10.122 1.00 0.00 C ATOM 1235 C VAL A 86 12.156 1.062 9.948 1.00 0.00 C ATOM 1236 O VAL A 86 12.175 2.292 9.955 1.00 0.00 O ATOM 1237 CB VAL A 86 10.642 -0.013 11.617 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.620 -1.083 12.077 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.791 1.251 12.450 1.00 0.00 C ATOM 0 H VAL A 86 10.737 -1.776 9.858 1.00 0.00 H new ATOM 0 HA VAL A 86 10.021 0.919 9.771 1.00 0.00 H new ATOM 0 HB VAL A 86 9.631 -0.395 11.756 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.461 -1.291 13.135 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.461 -1.994 11.500 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.641 -0.732 11.926 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.643 1.012 13.503 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.790 1.665 12.308 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.047 1.983 12.136 1.00 0.00 H new ATOM 1249 N GLN A 87 13.248 0.321 9.792 1.00 0.00 N ATOM 1250 CA GLN A 87 14.563 0.928 9.616 1.00 0.00 C ATOM 1251 C GLN A 87 14.492 2.114 8.660 1.00 0.00 C ATOM 1252 O GLN A 87 14.848 3.235 9.020 1.00 0.00 O ATOM 1253 CB GLN A 87 15.559 -0.107 9.090 1.00 0.00 C ATOM 1254 CG GLN A 87 16.988 0.137 9.547 1.00 0.00 C ATOM 1255 CD GLN A 87 17.349 -0.659 10.786 1.00 0.00 C ATOM 1256 OE1 GLN A 87 16.884 -0.360 11.887 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.182 -1.678 10.613 1.00 0.00 N ATOM 0 H GLN A 87 13.249 -0.699 9.784 1.00 0.00 H new ATOM 0 HA GLN A 87 14.902 1.288 10.587 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.246 -1.099 9.417 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.530 -0.106 8.000 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.673 -0.124 8.740 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.124 1.199 9.750 1.00 0.00 H new ATOM 0 HE21 GLN A 87 18.543 -1.890 9.683 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.461 -2.249 11.410 1.00 0.00 H new ATOM 1266 N GLN A 88 14.029 1.857 7.440 1.00 0.00 N ATOM 1267 CA GLN A 88 13.913 2.904 6.432 1.00 0.00 C ATOM 1268 C GLN A 88 13.172 4.116 6.989 1.00 0.00 C ATOM 1269 O GLN A 88 13.548 5.260 6.729 1.00 0.00 O ATOM 1270 CB GLN A 88 13.187 2.372 5.195 1.00 0.00 C ATOM 1271 CG GLN A 88 13.828 1.129 4.601 1.00 0.00 C ATOM 1272 CD GLN A 88 15.117 1.432 3.864 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.209 2.416 3.129 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.123 0.586 4.056 1.00 0.00 N ATOM 0 H GLN A 88 13.729 0.934 7.127 1.00 0.00 H new ATOM 0 HA GLN A 88 14.919 3.214 6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.154 2.147 5.459 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.159 3.154 4.436 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.029 0.413 5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.125 0.655 3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.003 -0.217 4.674 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.015 0.739 3.586 1.00 0.00 H new ATOM 1283 N LEU A 89 12.119 3.858 7.756 1.00 0.00 N ATOM 1284 CA LEU A 89 11.325 4.928 8.349 1.00 0.00 C ATOM 1285 C LEU A 89 12.177 5.788 9.278 1.00 0.00 C ATOM 1286 O LEU A 89 12.228 7.009 9.136 1.00 0.00 O ATOM 1287 CB LEU A 89 10.140 4.343 9.121 1.00 0.00 C ATOM 1288 CG LEU A 89 9.277 3.335 8.362 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.107 2.881 9.221 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.779 3.936 7.055 1.00 0.00 C ATOM 0 H LEU A 89 11.795 2.918 7.982 1.00 0.00 H new ATOM 0 HA LEU A 89 10.950 5.558 7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.521 3.860 10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.502 5.165 9.446 1.00 0.00 H new ATOM 0 HG LEU A 89 9.890 2.464 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.504 2.164 8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.483 2.411 10.129 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.494 3.743 9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.166 3.204 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.183 4.824 7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.631 4.211 6.433 1.00 0.00 H new ATOM 1302 N ARG A 90 12.845 5.140 10.227 1.00 0.00 N ATOM 1303 CA ARG A 90 13.696 5.845 11.178 1.00 0.00 C ATOM 1304 C ARG A 90 14.855 6.536 10.464 1.00 0.00 C ATOM 1305 O ARG A 90 15.317 7.595 10.888 1.00 0.00 O ATOM 1306 CB ARG A 90 14.237 4.873 12.228 1.00 0.00 C ATOM 1307 CG ARG A 90 14.918 3.652 11.634 1.00 0.00 C ATOM 1308 CD ARG A 90 15.581 2.805 12.709 1.00 0.00 C ATOM 1309 NE ARG A 90 16.492 3.589 13.540 1.00 0.00 N ATOM 1310 CZ ARG A 90 17.728 3.910 13.174 1.00 0.00 C ATOM 1311 NH1 ARG A 90 18.199 3.515 11.999 1.00 0.00 N ATOM 1312 NH2 ARG A 90 18.496 4.626 13.985 1.00 0.00 N ATOM 0 H ARG A 90 12.813 4.129 10.358 1.00 0.00 H new ATOM 0 HA ARG A 90 13.092 6.606 11.673 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.946 5.399 12.867 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.416 4.546 12.866 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.185 3.051 11.096 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.665 3.969 10.907 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.814 2.353 13.338 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.130 1.989 12.240 1.00 0.00 H new ATOM 0 HE ARG A 90 16.161 3.907 14.451 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.612 2.963 11.374 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.148 3.763 11.721 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.137 4.930 14.890 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.445 4.872 13.703 1.00 0.00 H new ATOM 1326 N LYS A 91 15.319 5.928 9.377 1.00 0.00 N ATOM 1327 CA LYS A 91 16.422 6.483 8.602 1.00 0.00 C ATOM 1328 C LYS A 91 15.989 7.747 7.866 1.00 0.00 C ATOM 1329 O LYS A 91 16.748 8.711 7.769 1.00 0.00 O ATOM 1330 CB LYS A 91 16.940 5.449 7.600 1.00 0.00 C ATOM 1331 CG LYS A 91 17.583 4.238 8.253 1.00 0.00 C ATOM 1332 CD LYS A 91 17.687 3.072 7.284 1.00 0.00 C ATOM 1333 CE LYS A 91 18.989 3.113 6.499 1.00 0.00 C ATOM 1334 NZ LYS A 91 19.244 1.834 5.780 1.00 0.00 N ATOM 0 H LYS A 91 14.948 5.050 9.013 1.00 0.00 H new ATOM 0 HA LYS A 91 17.223 6.743 9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.113 5.117 6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.667 5.925 6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.577 4.503 8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.998 3.939 9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.622 2.133 7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.844 3.095 6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.955 3.932 5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.816 3.319 7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.140 1.902 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.302 1.055 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.468 1.650 5.113 1.00 0.00 H new ATOM 1348 N SER A 92 14.763 7.736 7.352 1.00 0.00 N ATOM 1349 CA SER A 92 14.230 8.881 6.623 1.00 0.00 C ATOM 1350 C SER A 92 14.382 10.162 7.438 1.00 0.00 C ATOM 1351 O SER A 92 14.027 10.209 8.615 1.00 0.00 O ATOM 1352 CB SER A 92 12.757 8.653 6.280 1.00 0.00 C ATOM 1353 OG SER A 92 12.403 9.321 5.082 1.00 0.00 O ATOM 0 H SER A 92 14.121 6.947 7.427 1.00 0.00 H new ATOM 0 HA SER A 92 14.798 8.989 5.699 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.566 7.585 6.175 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.131 9.010 7.098 1.00 0.00 H new ATOM 0 HG SER A 92 12.097 10.228 5.291 1.00 0.00 H new ATOM 1359 N GLY A 93 14.914 11.202 6.801 1.00 0.00 N ATOM 1360 CA GLY A 93 15.104 12.470 7.481 1.00 0.00 C ATOM 1361 C GLY A 93 13.800 13.063 7.978 1.00 0.00 C ATOM 1362 O GLY A 93 13.460 12.936 9.154 1.00 0.00 O ATOM 0 H GLY A 93 15.216 11.188 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.780 12.329 8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.584 13.174 6.802 1.00 0.00 H new ATOM 1366 N LYS A 94 13.068 13.713 7.080 1.00 0.00 N ATOM 1367 CA LYS A 94 11.794 14.329 7.432 1.00 0.00 C ATOM 1368 C LYS A 94 10.667 13.785 6.560 1.00 0.00 C ATOM 1369 O LYS A 94 9.548 13.582 7.032 1.00 0.00 O ATOM 1370 CB LYS A 94 11.881 15.850 7.282 1.00 0.00 C ATOM 1371 CG LYS A 94 10.585 16.569 7.616 1.00 0.00 C ATOM 1372 CD LYS A 94 10.472 16.853 9.104 1.00 0.00 C ATOM 1373 CE LYS A 94 9.415 17.908 9.391 1.00 0.00 C ATOM 1374 NZ LYS A 94 9.948 19.288 9.220 1.00 0.00 N ATOM 0 H LYS A 94 13.335 13.827 6.102 1.00 0.00 H new ATOM 0 HA LYS A 94 11.575 14.084 8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.673 16.226 7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.166 16.090 6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.534 17.506 7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.738 15.962 7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.223 15.933 9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.436 17.189 9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.565 17.762 8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.046 17.785 10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.197 19.978 9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.743 19.437 9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.277 19.414 8.241 1.00 0.00 H new ATOM 1388 N ILE A 95 10.970 13.550 5.288 1.00 0.00 N ATOM 1389 CA ILE A 95 9.983 13.027 4.352 1.00 0.00 C ATOM 1390 C ILE A 95 10.357 11.624 3.886 1.00 0.00 C ATOM 1391 O ILE A 95 11.529 11.325 3.665 1.00 0.00 O ATOM 1392 CB ILE A 95 9.834 13.942 3.122 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.565 15.383 3.560 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.715 13.440 2.221 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.291 15.544 4.359 1.00 0.00 C ATOM 0 H ILE A 95 11.891 13.714 4.882 1.00 0.00 H new ATOM 0 HA ILE A 95 9.032 12.989 4.884 1.00 0.00 H new ATOM 0 HB ILE A 95 10.766 13.921 2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.406 15.736 4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.513 16.019 2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.622 14.097 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.944 12.429 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.776 13.435 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.165 16.591 4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.441 15.223 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.348 14.935 5.261 1.00 0.00 H new ATOM 1407 N ALA A 96 9.351 10.769 3.737 1.00 0.00 N ATOM 1408 CA ALA A 96 9.573 9.398 3.294 1.00 0.00 C ATOM 1409 C ALA A 96 8.531 8.980 2.261 1.00 0.00 C ATOM 1410 O ALA A 96 7.338 9.228 2.434 1.00 0.00 O ATOM 1411 CB ALA A 96 9.551 8.449 4.482 1.00 0.00 C ATOM 0 H ALA A 96 8.374 11.001 3.917 1.00 0.00 H new ATOM 0 HA ALA A 96 10.555 9.349 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.718 7.429 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.337 8.727 5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.582 8.510 4.978 1.00 0.00 H new ATOM 1417 N ALA A 97 8.991 8.345 1.188 1.00 0.00 N ATOM 1418 CA ALA A 97 8.098 7.892 0.128 1.00 0.00 C ATOM 1419 C ALA A 97 7.830 6.395 0.240 1.00 0.00 C ATOM 1420 O ALA A 97 8.758 5.585 0.216 1.00 0.00 O ATOM 1421 CB ALA A 97 8.686 8.224 -1.235 1.00 0.00 C ATOM 0 H ALA A 97 9.976 8.133 1.030 1.00 0.00 H new ATOM 0 HA ALA A 97 7.148 8.415 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.009 7.880 -2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.821 9.302 -1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.650 7.728 -1.346 1.00 0.00 H new ATOM 1427 N ILE A 98 6.557 6.034 0.362 1.00 0.00 N ATOM 1428 CA ILE A 98 6.168 4.634 0.477 1.00 0.00 C ATOM 1429 C ILE A 98 5.267 4.217 -0.681 1.00 0.00 C ATOM 1430 O ILE A 98 4.411 4.984 -1.123 1.00 0.00 O ATOM 1431 CB ILE A 98 5.439 4.360 1.805 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.346 4.697 2.990 1.00 0.00 C ATOM 1433 CG2 ILE A 98 4.988 2.908 1.872 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.602 4.848 4.298 1.00 0.00 C ATOM 0 H ILE A 98 5.778 6.692 0.384 1.00 0.00 H new ATOM 0 HA ILE A 98 7.086 4.048 0.449 1.00 0.00 H new ATOM 0 HB ILE A 98 4.556 4.997 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.096 3.914 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.880 5.623 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.474 2.730 2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.309 2.699 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.857 2.254 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.309 5.086 5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.870 5.651 4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.090 3.915 4.535 1.00 0.00 H new ATOM 1446 N VAL A 99 5.464 2.996 -1.167 1.00 0.00 N ATOM 1447 CA VAL A 99 4.667 2.474 -2.271 1.00 0.00 C ATOM 1448 C VAL A 99 3.889 1.233 -1.849 1.00 0.00 C ATOM 1449 O VAL A 99 4.430 0.128 -1.820 1.00 0.00 O ATOM 1450 CB VAL A 99 5.550 2.126 -3.484 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.691 1.706 -4.667 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.439 3.304 -3.852 1.00 0.00 C ATOM 0 H VAL A 99 6.169 2.349 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 99 3.966 3.259 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 99 6.191 1.287 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.332 1.464 -5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.102 0.830 -4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.023 2.523 -4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.056 3.040 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.818 4.164 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.081 3.553 -3.007 1.00 0.00 H new ATOM 1462 N VAL A 100 2.614 1.424 -1.523 1.00 0.00 N ATOM 1463 CA VAL A 100 1.759 0.319 -1.104 1.00 0.00 C ATOM 1464 C VAL A 100 0.893 -0.173 -2.258 1.00 0.00 C ATOM 1465 O VAL A 100 1.014 0.302 -3.387 1.00 0.00 O ATOM 1466 CB VAL A 100 0.849 0.728 0.069 1.00 0.00 C ATOM 1467 CG1 VAL A 100 1.681 1.124 1.279 1.00 0.00 C ATOM 1468 CG2 VAL A 100 -0.077 1.862 -0.346 1.00 0.00 C ATOM 0 H VAL A 100 2.151 2.333 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 100 2.418 -0.486 -0.779 1.00 0.00 H new ATOM 0 HB VAL A 100 0.236 -0.129 0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.020 1.410 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.298 0.280 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.322 1.966 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.713 2.139 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.517 2.724 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.699 1.537 -1.180 1.00 0.00 H new ATOM 1478 N LYS A 101 0.018 -1.129 -1.967 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.872 -1.687 -2.979 1.00 0.00 C ATOM 1480 C LYS A 101 -2.150 -2.224 -2.343 1.00 0.00 C ATOM 1481 O LYS A 101 -2.103 -3.086 -1.466 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.164 -2.804 -3.750 1.00 0.00 C ATOM 1483 CG LYS A 101 0.258 -3.972 -2.876 1.00 0.00 C ATOM 1484 CD LYS A 101 0.971 -5.044 -3.684 1.00 0.00 C ATOM 1485 CE LYS A 101 1.061 -6.354 -2.916 1.00 0.00 C ATOM 1486 NZ LYS A 101 1.944 -7.338 -3.600 1.00 0.00 N ATOM 0 H LYS A 101 -0.094 -1.534 -1.038 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.140 -0.889 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.827 -3.169 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.717 -2.392 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.915 -3.615 -2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.620 -4.402 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.441 -5.207 -4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.974 -4.702 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.441 -6.161 -1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.063 -6.778 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.979 -8.217 -3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.568 -7.541 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.903 -6.944 -3.685 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.290 -1.710 -2.793 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.581 -2.139 -2.268 1.00 0.00 C ATOM 1502 C ARG A 102 -5.382 -2.881 -3.334 1.00 0.00 C ATOM 1503 O ARG A 102 -5.640 -2.366 -4.423 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.376 -0.933 -1.764 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.698 -0.189 -0.626 1.00 0.00 C ATOM 1506 CD ARG A 102 -5.143 1.264 -0.567 1.00 0.00 C ATOM 1507 NE ARG A 102 -4.095 2.137 -0.045 1.00 0.00 N ATOM 1508 CZ ARG A 102 -3.702 2.136 1.223 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -4.265 1.311 2.095 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -2.741 2.960 1.622 1.00 0.00 N ATOM 0 H ARG A 102 -3.346 -0.996 -3.520 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.399 -2.819 -1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.538 -0.243 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.359 -1.269 -1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.929 -0.680 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.616 -0.235 -0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.428 1.597 -1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.030 1.346 0.062 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.640 2.783 -0.690 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.002 0.675 1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.961 1.313 3.069 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.304 3.595 0.954 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.440 2.958 2.597 1.00 0.00 H new ATOM 1524 N PRO A 103 -5.786 -4.119 -3.016 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.564 -4.958 -3.933 1.00 0.00 C ATOM 1526 C PRO A 103 -7.984 -4.440 -4.129 1.00 0.00 C ATOM 1527 O PRO A 103 -8.764 -4.362 -3.179 1.00 0.00 O ATOM 1528 CB PRO A 103 -6.584 -6.321 -3.236 1.00 0.00 C ATOM 1529 CG PRO A 103 -6.402 -6.010 -1.790 1.00 0.00 C ATOM 1530 CD PRO A 103 -5.516 -4.796 -1.736 1.00 0.00 C ATOM 0 HA PRO A 103 -6.129 -4.981 -4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -7.525 -6.843 -3.413 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.787 -6.966 -3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.361 -5.815 -1.309 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.946 -6.849 -1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.759 -4.159 -0.886 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.465 -5.069 -1.640 1.00 0.00 H new