USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=16 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 142:sc= 0.403 USER MOD Set 1.2: A 88 GLN : amide:sc= 0.44 K(o=0.84,f=-1.1) USER MOD Set 1.3: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.87) 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 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= 2.03 (180deg=1.66) 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= -0.0473 K(o=-0.047,f=-1.6) USER MOD Single : A 40 HIS : no HD1:sc= -2.45! C(o=-2.5!,f=-4.5!) USER MOD Single : A 43 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.6!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -12:sc= 0.374! USER MOD Single : A 51 SER OG : rot -53:sc= 0.00658 USER MOD Single : A 64 GLN :FLIP amide:sc= -1.08 F(o=-3.3,f=-1.1) USER MOD Single : A 66 ASN : amide:sc= -0.701 X(o=-0.7,f=-0.66) USER MOD Single : A 71 MET CE :methyl -112:sc= -0.726 (180deg=-1.97) USER MOD Single : A 73 ASN : amide:sc= 0.867 K(o=0.87,f=-6.9!) USER MOD Single : A 77 MET CE :methyl -174:sc= -4.89! (180deg=-4.98!) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -1.01 F(o=-2.7!,f=-1) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.471 K(o=-0.47,f=-2.8!) USER MOD Single : A 92 SER OG : rot 109:sc= -0.231 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 -8.098 -6.098 -8.177 1.00 0.00 N ATOM 130 CA ILE A 12 -7.174 -5.142 -8.775 1.00 0.00 C ATOM 131 C ILE A 12 -6.326 -4.456 -7.710 1.00 0.00 C ATOM 132 O ILE A 12 -6.799 -3.562 -7.007 1.00 0.00 O ATOM 133 CB ILE A 12 -7.923 -4.069 -9.589 1.00 0.00 C ATOM 134 CG1 ILE A 12 -8.957 -4.724 -10.508 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.940 -3.236 -10.397 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.775 -3.730 -11.302 1.00 0.00 C ATOM 0 HA ILE A 12 -6.525 -5.707 -9.444 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.446 -3.409 -8.898 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.445 -5.394 -11.198 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.629 -5.337 -9.907 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.484 -2.482 -10.967 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.239 -2.745 -9.722 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.392 -3.883 -11.082 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.487 -4.265 -11.931 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.315 -3.075 -10.618 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.113 -3.133 -11.930 1.00 0.00 H new ATOM 148 N TRP A 13 -5.072 -4.878 -7.597 1.00 0.00 N ATOM 149 CA TRP A 13 -4.157 -4.303 -6.618 1.00 0.00 C ATOM 150 C TRP A 13 -3.578 -2.986 -7.123 1.00 0.00 C ATOM 151 O TRP A 13 -2.682 -2.975 -7.965 1.00 0.00 O ATOM 152 CB TRP A 13 -3.027 -5.286 -6.308 1.00 0.00 C ATOM 153 CG TRP A 13 -3.465 -6.450 -5.471 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.043 -7.605 -5.914 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.361 -6.570 -4.049 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.305 -8.436 -4.852 1.00 0.00 N ATOM 157 CE2 TRP A 13 -3.895 -7.825 -3.697 1.00 0.00 C ATOM 158 CE3 TRP A 13 -2.866 -5.741 -3.038 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -3.949 -8.267 -2.377 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -2.921 -6.181 -1.729 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.458 -7.435 -1.408 1.00 0.00 C ATOM 0 H TRP A 13 -4.665 -5.616 -8.171 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.718 -4.105 -5.705 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.611 -5.657 -7.245 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.226 -4.757 -5.791 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.262 -7.832 -6.947 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.735 -9.359 -4.914 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.448 -4.774 -3.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.364 -9.232 -2.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.544 -5.548 -0.940 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.485 -7.751 -0.376 1.00 0.00 H new ATOM 172 N GLU A 14 -4.096 -1.878 -6.601 1.00 0.00 N ATOM 173 CA GLU A 14 -3.630 -0.556 -7.001 1.00 0.00 C ATOM 174 C GLU A 14 -2.562 -0.042 -6.039 1.00 0.00 C ATOM 175 O GLU A 14 -2.701 -0.160 -4.822 1.00 0.00 O ATOM 176 CB GLU A 14 -4.800 0.428 -7.054 1.00 0.00 C ATOM 177 CG GLU A 14 -5.976 -0.068 -7.878 1.00 0.00 C ATOM 178 CD GLU A 14 -6.770 1.063 -8.501 1.00 0.00 C ATOM 179 OE1 GLU A 14 -6.232 1.740 -9.403 1.00 0.00 O ATOM 180 OE2 GLU A 14 -7.930 1.273 -8.088 1.00 0.00 O ATOM 0 H GLU A 14 -4.838 -1.870 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.190 -0.639 -7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.139 0.631 -6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.450 1.373 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.611 -0.727 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.634 -0.663 -7.244 1.00 0.00 H new ATOM 187 N GLN A 15 -1.498 0.527 -6.595 1.00 0.00 N ATOM 188 CA GLN A 15 -0.406 1.058 -5.787 1.00 0.00 C ATOM 189 C GLN A 15 -0.604 2.545 -5.513 1.00 0.00 C ATOM 190 O GLN A 15 -0.893 3.321 -6.424 1.00 0.00 O ATOM 191 CB GLN A 15 0.934 0.831 -6.490 1.00 0.00 C ATOM 192 CG GLN A 15 1.609 -0.475 -6.104 1.00 0.00 C ATOM 193 CD GLN A 15 2.469 -1.039 -7.218 1.00 0.00 C ATOM 194 OE1 GLN A 15 2.096 -0.990 -8.391 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.627 -1.579 -6.857 1.00 0.00 N ATOM 0 H GLN A 15 -1.368 0.632 -7.601 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.403 0.529 -4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.776 0.844 -7.568 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.603 1.659 -6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.226 -0.313 -5.220 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.848 -1.206 -5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.896 -1.598 -5.873 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.247 -1.975 -7.563 1.00 0.00 H new ATOM 204 N TYR A 16 -0.447 2.935 -4.253 1.00 0.00 N ATOM 205 CA TYR A 16 -0.612 4.329 -3.858 1.00 0.00 C ATOM 206 C TYR A 16 0.707 4.915 -3.364 1.00 0.00 C ATOM 207 O TYR A 16 1.192 4.565 -2.287 1.00 0.00 O ATOM 208 CB TYR A 16 -1.677 4.450 -2.767 1.00 0.00 C ATOM 209 CG TYR A 16 -3.015 3.864 -3.159 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.144 2.511 -3.448 1.00 0.00 C ATOM 211 CD2 TYR A 16 -4.148 4.663 -3.241 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.364 1.971 -3.808 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.372 4.131 -3.598 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.475 2.785 -3.881 1.00 0.00 C ATOM 215 OH TYR A 16 -6.693 2.252 -4.238 1.00 0.00 O ATOM 0 H TYR A 16 -0.206 2.306 -3.488 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.934 4.892 -4.734 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.321 3.950 -1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.810 5.502 -2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.276 1.871 -3.390 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.071 5.718 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.447 0.918 -4.031 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.244 4.766 -3.655 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.371 2.959 -4.241 1.00 0.00 H new ATOM 225 N THR A 17 1.285 5.810 -4.159 1.00 0.00 N ATOM 226 CA THR A 17 2.547 6.445 -3.805 1.00 0.00 C ATOM 227 C THR A 17 2.315 7.792 -3.130 1.00 0.00 C ATOM 228 O THR A 17 2.100 8.804 -3.797 1.00 0.00 O ATOM 229 CB THR A 17 3.439 6.652 -5.044 1.00 0.00 C ATOM 230 OG1 THR A 17 3.586 5.417 -5.754 1.00 0.00 O ATOM 231 CG2 THR A 17 4.809 7.178 -4.643 1.00 0.00 C ATOM 0 H THR A 17 0.898 6.111 -5.053 1.00 0.00 H new ATOM 0 HA THR A 17 3.053 5.775 -3.109 1.00 0.00 H new ATOM 0 HB THR A 17 2.960 7.387 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.153 5.558 -6.541 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.421 7.316 -5.534 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.696 8.132 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.293 6.463 -3.978 1.00 0.00 H new ATOM 239 N VAL A 18 2.360 7.799 -1.801 1.00 0.00 N ATOM 240 CA VAL A 18 2.157 9.022 -1.035 1.00 0.00 C ATOM 241 C VAL A 18 3.374 9.341 -0.174 1.00 0.00 C ATOM 242 O VAL A 18 4.190 8.465 0.116 1.00 0.00 O ATOM 243 CB VAL A 18 0.915 8.918 -0.130 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.357 9.079 -0.948 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.912 7.594 0.619 1.00 0.00 C ATOM 0 H VAL A 18 2.535 6.970 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 18 2.006 9.825 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 18 0.952 9.724 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.224 9.003 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.355 10.054 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.405 8.296 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.028 7.537 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.899 6.771 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.807 7.523 1.237 1.00 0.00 H new ATOM 255 N THR A 19 3.491 10.601 0.233 1.00 0.00 N ATOM 256 CA THR A 19 4.608 11.037 1.060 1.00 0.00 C ATOM 257 C THR A 19 4.128 11.517 2.425 1.00 0.00 C ATOM 258 O THR A 19 3.191 12.311 2.521 1.00 0.00 O ATOM 259 CB THR A 19 5.403 12.168 0.381 1.00 0.00 C ATOM 260 OG1 THR A 19 4.562 12.873 -0.539 1.00 0.00 O ATOM 261 CG2 THR A 19 6.614 11.614 -0.353 1.00 0.00 C ATOM 0 H THR A 19 2.825 11.338 0.003 1.00 0.00 H new ATOM 0 HA THR A 19 5.260 10.173 1.190 1.00 0.00 H new ATOM 0 HB THR A 19 5.750 12.853 1.154 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.074 13.592 -0.965 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.159 12.432 -0.824 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.267 11.103 0.355 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.285 10.909 -1.117 1.00 0.00 H new ATOM 269 N LEU A 20 4.775 11.031 3.479 1.00 0.00 N ATOM 270 CA LEU A 20 4.414 11.412 4.840 1.00 0.00 C ATOM 271 C LEU A 20 5.453 12.356 5.435 1.00 0.00 C ATOM 272 O LEU A 20 6.645 12.242 5.149 1.00 0.00 O ATOM 273 CB LEU A 20 4.276 10.168 5.719 1.00 0.00 C ATOM 274 CG LEU A 20 3.428 9.032 5.146 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.941 7.685 5.633 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.965 9.215 5.523 1.00 0.00 C ATOM 0 H LEU A 20 5.552 10.373 3.417 1.00 0.00 H new ATOM 0 HA LEU A 20 3.457 11.932 4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.274 9.781 5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.847 10.469 6.675 1.00 0.00 H new ATOM 0 HG LEU A 20 3.508 9.058 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.325 6.888 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.974 7.551 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.892 7.649 6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.377 8.397 5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.866 9.217 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.602 10.162 5.124 1.00 0.00 H new ATOM 288 N GLN A 21 4.993 13.287 6.265 1.00 0.00 N ATOM 289 CA GLN A 21 5.884 14.250 6.902 1.00 0.00 C ATOM 290 C GLN A 21 6.149 13.869 8.355 1.00 0.00 C ATOM 291 O GLN A 21 5.219 13.610 9.120 1.00 0.00 O ATOM 292 CB GLN A 21 5.284 15.655 6.832 1.00 0.00 C ATOM 293 CG GLN A 21 4.922 16.093 5.422 1.00 0.00 C ATOM 294 CD GLN A 21 4.065 17.343 5.401 1.00 0.00 C ATOM 295 OE1 GLN A 21 3.729 17.897 6.448 1.00 0.00 O ATOM 296 NE2 GLN A 21 3.707 17.795 4.205 1.00 0.00 N ATOM 0 H GLN A 21 4.009 13.395 6.512 1.00 0.00 H new ATOM 0 HA GLN A 21 6.832 14.240 6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.390 15.691 7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.995 16.366 7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.836 16.274 4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.391 15.285 4.920 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.008 17.304 3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.131 18.633 4.128 1.00 0.00 H new ATOM 305 N LYS A 22 7.423 13.835 8.730 1.00 0.00 N ATOM 306 CA LYS A 22 7.811 13.487 10.091 1.00 0.00 C ATOM 307 C LYS A 22 7.248 14.491 11.092 1.00 0.00 C ATOM 308 O LYS A 22 7.886 15.497 11.402 1.00 0.00 O ATOM 309 CB LYS A 22 9.336 13.433 10.211 1.00 0.00 C ATOM 310 CG LYS A 22 9.830 12.465 11.272 1.00 0.00 C ATOM 311 CD LYS A 22 11.132 11.801 10.858 1.00 0.00 C ATOM 312 CE LYS A 22 10.886 10.621 9.929 1.00 0.00 C ATOM 313 NZ LYS A 22 11.970 9.605 10.025 1.00 0.00 N ATOM 0 H LYS A 22 8.205 14.045 8.109 1.00 0.00 H new ATOM 0 HA LYS A 22 7.399 12.504 10.318 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.758 13.148 9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.709 14.431 10.440 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.975 12.997 12.212 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.072 11.702 11.451 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.771 12.530 10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.667 11.462 11.745 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.931 10.157 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.812 10.977 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.648 8.712 9.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.811 9.946 9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.209 9.446 11.025 1.00 0.00 H new ATOM 327 N ASP A 23 6.050 14.210 11.594 1.00 0.00 N ATOM 328 CA ASP A 23 5.402 15.088 12.562 1.00 0.00 C ATOM 329 C ASP A 23 6.276 15.272 13.798 1.00 0.00 C ATOM 330 O ASP A 23 7.400 14.775 13.856 1.00 0.00 O ATOM 331 CB ASP A 23 4.040 14.520 12.964 1.00 0.00 C ATOM 332 CG ASP A 23 3.088 15.593 13.455 1.00 0.00 C ATOM 333 OD1 ASP A 23 3.147 16.724 12.929 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.285 15.302 14.366 1.00 0.00 O ATOM 0 H ASP A 23 5.508 13.382 11.347 1.00 0.00 H new ATOM 0 HA ASP A 23 5.257 16.062 12.094 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.597 14.008 12.110 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.177 13.774 13.747 1.00 0.00 H new ATOM 339 N SER A 24 5.752 15.992 14.785 1.00 0.00 N ATOM 340 CA SER A 24 6.486 16.247 16.019 1.00 0.00 C ATOM 341 C SER A 24 6.882 14.938 16.695 1.00 0.00 C ATOM 342 O SER A 24 8.055 14.564 16.711 1.00 0.00 O ATOM 343 CB SER A 24 5.641 17.092 16.975 1.00 0.00 C ATOM 344 OG SER A 24 6.310 17.288 18.209 1.00 0.00 O ATOM 0 H SER A 24 4.822 16.409 14.754 1.00 0.00 H new ATOM 0 HA SER A 24 7.394 16.795 15.766 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.425 18.057 16.518 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.684 16.601 17.151 1.00 0.00 H new ATOM 0 HG SER A 24 5.750 17.832 18.802 1.00 0.00 H new ATOM 350 N LYS A 25 5.896 14.245 17.254 1.00 0.00 N ATOM 351 CA LYS A 25 6.139 12.977 17.931 1.00 0.00 C ATOM 352 C LYS A 25 5.564 11.814 17.130 1.00 0.00 C ATOM 353 O LYS A 25 5.847 10.650 17.418 1.00 0.00 O ATOM 354 CB LYS A 25 5.524 12.998 19.333 1.00 0.00 C ATOM 355 CG LYS A 25 6.327 13.806 20.337 1.00 0.00 C ATOM 356 CD LYS A 25 7.530 13.028 20.844 1.00 0.00 C ATOM 357 CE LYS A 25 8.625 13.959 21.343 1.00 0.00 C ATOM 358 NZ LYS A 25 9.812 13.205 21.834 1.00 0.00 N ATOM 0 H LYS A 25 4.920 14.541 17.251 1.00 0.00 H new ATOM 0 HA LYS A 25 7.217 12.839 18.015 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.516 13.408 19.272 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.430 11.974 19.695 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.662 14.734 19.874 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.690 14.081 21.177 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.221 12.363 21.650 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.922 12.399 20.044 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.927 14.629 20.538 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.233 14.583 22.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.536 13.874 22.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.529 12.585 22.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.201 12.629 21.061 1.00 0.00 H new ATOM 372 N ARG A 26 4.758 12.135 16.124 1.00 0.00 N ATOM 373 CA ARG A 26 4.145 11.116 15.281 1.00 0.00 C ATOM 374 C ARG A 26 4.675 11.200 13.852 1.00 0.00 C ATOM 375 O ARG A 26 3.904 11.248 12.895 1.00 0.00 O ATOM 376 CB ARG A 26 2.623 11.272 15.281 1.00 0.00 C ATOM 377 CG ARG A 26 2.001 11.173 16.664 1.00 0.00 C ATOM 378 CD ARG A 26 1.965 9.734 17.157 1.00 0.00 C ATOM 379 NE ARG A 26 0.941 9.531 18.179 1.00 0.00 N ATOM 380 CZ ARG A 26 0.927 8.494 19.009 1.00 0.00 C ATOM 381 NH1 ARG A 26 1.876 7.571 18.938 1.00 0.00 N ATOM 382 NH2 ARG A 26 -0.038 8.379 19.912 1.00 0.00 N ATOM 0 H ARG A 26 4.514 13.093 15.873 1.00 0.00 H new ATOM 0 HA ARG A 26 4.404 10.139 15.689 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.365 12.237 14.844 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.188 10.505 14.640 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.570 11.785 17.365 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.988 11.575 16.638 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.775 9.067 16.316 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.940 9.465 17.563 1.00 0.00 H new ATOM 0 HE ARG A 26 0.196 10.223 18.260 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.619 7.656 18.245 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.863 6.776 19.577 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.770 9.087 19.969 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.048 7.582 20.549 1.00 0.00 H new ATOM 396 N GLY A 27 5.998 11.218 13.718 1.00 0.00 N ATOM 397 CA GLY A 27 6.608 11.297 12.404 1.00 0.00 C ATOM 398 C GLY A 27 5.637 10.954 11.291 1.00 0.00 C ATOM 399 O GLY A 27 4.902 11.817 10.811 1.00 0.00 O ATOM 0 H GLY A 27 6.657 11.179 14.495 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.995 12.304 12.247 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.460 10.618 12.361 1.00 0.00 H new ATOM 403 N PHE A 28 5.634 9.691 10.879 1.00 0.00 N ATOM 404 CA PHE A 28 4.748 9.236 9.814 1.00 0.00 C ATOM 405 C PHE A 28 3.478 8.616 10.390 1.00 0.00 C ATOM 406 O PHE A 28 2.674 8.034 9.664 1.00 0.00 O ATOM 407 CB PHE A 28 5.466 8.220 8.923 1.00 0.00 C ATOM 408 CG PHE A 28 6.835 8.662 8.492 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.082 9.989 8.180 1.00 0.00 C ATOM 410 CD2 PHE A 28 7.875 7.751 8.401 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.341 10.399 7.782 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.136 8.155 8.005 1.00 0.00 C ATOM 413 CZ PHE A 28 9.369 9.481 7.696 1.00 0.00 C ATOM 0 H PHE A 28 6.235 8.964 11.267 1.00 0.00 H new ATOM 0 HA PHE A 28 4.469 10.102 9.214 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.550 7.275 9.459 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.858 8.032 8.038 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.282 10.711 8.248 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.698 6.713 8.642 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.520 11.436 7.539 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.938 7.435 7.937 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.354 9.799 7.388 1.00 0.00 H new ATOM 423 N GLY A 29 3.306 8.746 11.702 1.00 0.00 N ATOM 424 CA GLY A 29 2.133 8.194 12.355 1.00 0.00 C ATOM 425 C GLY A 29 1.683 6.889 11.730 1.00 0.00 C ATOM 426 O GLY A 29 0.501 6.709 11.436 1.00 0.00 O ATOM 0 H GLY A 29 3.958 9.224 12.324 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.351 8.032 13.411 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.319 8.917 12.305 1.00 0.00 H new ATOM 430 N ILE A 30 2.627 5.976 11.526 1.00 0.00 N ATOM 431 CA ILE A 30 2.320 4.681 10.932 1.00 0.00 C ATOM 432 C ILE A 30 3.114 3.566 11.604 1.00 0.00 C ATOM 433 O ILE A 30 4.282 3.742 11.948 1.00 0.00 O ATOM 434 CB ILE A 30 2.619 4.670 9.421 1.00 0.00 C ATOM 435 CG1 ILE A 30 3.995 5.280 9.147 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.538 5.424 8.662 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.689 4.688 7.940 1.00 0.00 C ATOM 0 H ILE A 30 3.610 6.109 11.763 1.00 0.00 H new ATOM 0 HA ILE A 30 1.255 4.508 11.085 1.00 0.00 H new ATOM 0 HB ILE A 30 2.625 3.637 9.074 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.885 6.355 9.002 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.627 5.140 10.024 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.763 5.407 7.596 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.572 4.949 8.836 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.502 6.457 9.009 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.659 5.168 7.806 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.831 3.618 8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.078 4.851 7.052 1.00 0.00 H new ATOM 449 N ALA A 31 2.472 2.416 11.785 1.00 0.00 N ATOM 450 CA ALA A 31 3.119 1.270 12.412 1.00 0.00 C ATOM 451 C ALA A 31 3.004 0.028 11.536 1.00 0.00 C ATOM 452 O ALA A 31 1.919 -0.316 11.067 1.00 0.00 O ATOM 453 CB ALA A 31 2.516 1.009 13.784 1.00 0.00 C ATOM 0 H ALA A 31 1.504 2.254 11.506 1.00 0.00 H new ATOM 0 HA ALA A 31 4.177 1.502 12.531 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.009 0.151 14.241 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.656 1.886 14.416 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.451 0.803 13.680 1.00 0.00 H new ATOM 459 N VAL A 32 4.130 -0.644 11.318 1.00 0.00 N ATOM 460 CA VAL A 32 4.156 -1.849 10.498 1.00 0.00 C ATOM 461 C VAL A 32 4.125 -3.104 11.364 1.00 0.00 C ATOM 462 O VAL A 32 4.640 -3.111 12.482 1.00 0.00 O ATOM 463 CB VAL A 32 5.405 -1.890 9.599 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.279 -0.887 8.463 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.660 -1.626 10.418 1.00 0.00 C ATOM 0 H VAL A 32 5.037 -0.374 11.698 1.00 0.00 H new ATOM 0 HA VAL A 32 3.266 -1.823 9.869 1.00 0.00 H new ATOM 0 HB VAL A 32 5.485 -2.886 9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.171 -0.931 7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.403 -1.127 7.861 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.173 0.117 8.874 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.533 -1.659 9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.591 -0.643 10.883 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.756 -2.387 11.192 1.00 0.00 H new ATOM 475 N SER A 33 3.517 -4.163 10.840 1.00 0.00 N ATOM 476 CA SER A 33 3.416 -5.423 11.567 1.00 0.00 C ATOM 477 C SER A 33 3.678 -6.607 10.640 1.00 0.00 C ATOM 478 O SER A 33 3.355 -6.565 9.454 1.00 0.00 O ATOM 479 CB SER A 33 2.032 -5.558 12.206 1.00 0.00 C ATOM 480 OG SER A 33 2.066 -6.439 13.315 1.00 0.00 O ATOM 0 H SER A 33 3.087 -4.174 9.915 1.00 0.00 H new ATOM 0 HA SER A 33 4.172 -5.423 12.352 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.679 -4.578 12.527 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.321 -5.926 11.467 1.00 0.00 H new ATOM 0 HG SER A 33 1.170 -6.507 13.707 1.00 0.00 H new ATOM 486 N GLY A 34 4.267 -7.663 11.193 1.00 0.00 N ATOM 487 CA GLY A 34 4.564 -8.844 10.403 1.00 0.00 C ATOM 488 C GLY A 34 6.050 -9.134 10.329 1.00 0.00 C ATOM 489 O GLY A 34 6.830 -8.627 11.135 1.00 0.00 O ATOM 0 H GLY A 34 4.544 -7.722 12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.050 -9.704 10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.172 -8.711 9.395 1.00 0.00 H new ATOM 493 N GLY A 35 6.444 -9.954 9.360 1.00 0.00 N ATOM 494 CA GLY A 35 7.846 -10.297 9.202 1.00 0.00 C ATOM 495 C GLY A 35 8.041 -11.656 8.560 1.00 0.00 C ATOM 496 O GLY A 35 7.257 -12.578 8.790 1.00 0.00 O ATOM 0 H GLY A 35 5.818 -10.387 8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.336 -9.537 8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.332 -10.286 10.178 1.00 0.00 H new ATOM 500 N ARG A 36 9.088 -11.782 7.751 1.00 0.00 N ATOM 501 CA ARG A 36 9.382 -13.038 7.071 1.00 0.00 C ATOM 502 C ARG A 36 9.670 -14.147 8.078 1.00 0.00 C ATOM 503 O ARG A 36 9.753 -15.321 7.717 1.00 0.00 O ATOM 504 CB ARG A 36 10.576 -12.865 6.130 1.00 0.00 C ATOM 505 CG ARG A 36 11.856 -12.454 6.839 1.00 0.00 C ATOM 506 CD ARG A 36 13.084 -12.779 6.005 1.00 0.00 C ATOM 507 NE ARG A 36 13.237 -14.216 5.793 1.00 0.00 N ATOM 508 CZ ARG A 36 14.355 -14.779 5.349 1.00 0.00 C ATOM 509 NH1 ARG A 36 15.413 -14.030 5.072 1.00 0.00 N ATOM 510 NH2 ARG A 36 14.417 -16.094 5.181 1.00 0.00 N ATOM 0 H ARG A 36 9.747 -11.030 7.550 1.00 0.00 H new ATOM 0 HA ARG A 36 8.506 -13.320 6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.749 -13.802 5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.330 -12.115 5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.830 -11.385 7.048 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.921 -12.965 7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.011 -12.276 5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.973 -12.389 6.501 1.00 0.00 H new ATOM 0 HE ARG A 36 12.441 -14.821 5.997 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.370 -13.019 5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.270 -14.465 4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.605 -16.674 5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.276 -16.525 4.840 1.00 0.00 H new ATOM 524 N ASP A 37 9.823 -13.766 9.342 1.00 0.00 N ATOM 525 CA ASP A 37 10.102 -14.728 10.402 1.00 0.00 C ATOM 526 C ASP A 37 9.046 -14.649 11.500 1.00 0.00 C ATOM 527 O ASP A 37 8.807 -15.619 12.217 1.00 0.00 O ATOM 528 CB ASP A 37 11.490 -14.479 10.993 1.00 0.00 C ATOM 529 CG ASP A 37 12.079 -15.722 11.632 1.00 0.00 C ATOM 530 OD1 ASP A 37 12.386 -16.680 10.893 1.00 0.00 O ATOM 531 OD2 ASP A 37 12.231 -15.737 12.872 1.00 0.00 O ATOM 0 H ASP A 37 9.759 -12.798 9.657 1.00 0.00 H new ATOM 0 HA ASP A 37 10.074 -15.728 9.968 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.158 -14.126 10.207 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.428 -13.686 11.738 1.00 0.00 H new ATOM 536 N ASN A 38 8.417 -13.484 11.625 1.00 0.00 N ATOM 537 CA ASN A 38 7.387 -13.277 12.637 1.00 0.00 C ATOM 538 C ASN A 38 6.141 -12.647 12.024 1.00 0.00 C ATOM 539 O ASN A 38 5.718 -11.554 12.400 1.00 0.00 O ATOM 540 CB ASN A 38 7.920 -12.389 13.763 1.00 0.00 C ATOM 541 CG ASN A 38 7.015 -12.391 14.980 1.00 0.00 C ATOM 542 OD1 ASN A 38 6.059 -13.163 15.054 1.00 0.00 O ATOM 543 ND2 ASN A 38 7.314 -11.526 15.941 1.00 0.00 N ATOM 0 H ASN A 38 8.602 -12.670 11.039 1.00 0.00 H new ATOM 0 HA ASN A 38 7.116 -14.250 13.048 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.914 -12.731 14.052 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.029 -11.368 13.396 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.741 -11.482 16.784 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.116 -10.905 15.837 1.00 0.00 H new ATOM 550 N PRO A 39 5.537 -13.353 11.056 1.00 0.00 N ATOM 551 CA PRO A 39 4.329 -12.883 10.370 1.00 0.00 C ATOM 552 C PRO A 39 3.105 -12.895 11.279 1.00 0.00 C ATOM 553 O PRO A 39 2.316 -13.841 11.261 1.00 0.00 O ATOM 554 CB PRO A 39 4.157 -13.886 9.227 1.00 0.00 C ATOM 555 CG PRO A 39 4.835 -15.124 9.704 1.00 0.00 C ATOM 556 CD PRO A 39 5.985 -14.663 10.557 1.00 0.00 C ATOM 0 HA PRO A 39 4.425 -11.850 10.037 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.103 -14.068 9.015 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.608 -13.517 8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.150 -15.748 10.277 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.187 -15.724 8.865 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.183 -15.357 11.373 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.905 -14.579 9.979 1.00 0.00 H new ATOM 564 N HIS A 40 2.951 -11.839 12.072 1.00 0.00 N ATOM 565 CA HIS A 40 1.821 -11.729 12.987 1.00 0.00 C ATOM 566 C HIS A 40 0.509 -12.038 12.271 1.00 0.00 C ATOM 567 O HIS A 40 -0.347 -12.746 12.801 1.00 0.00 O ATOM 568 CB HIS A 40 1.765 -10.327 13.595 1.00 0.00 C ATOM 569 CG HIS A 40 0.508 -10.056 14.362 1.00 0.00 C ATOM 570 ND1 HIS A 40 -0.751 -10.174 13.810 1.00 0.00 N ATOM 571 CD2 HIS A 40 0.319 -9.673 15.647 1.00 0.00 C ATOM 572 CE1 HIS A 40 -1.659 -9.873 14.721 1.00 0.00 C ATOM 573 NE2 HIS A 40 -1.036 -9.566 15.845 1.00 0.00 N ATOM 0 H HIS A 40 3.594 -11.048 12.099 1.00 0.00 H new ATOM 0 HA HIS A 40 1.959 -12.458 13.785 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.621 -10.193 14.257 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.860 -9.590 12.797 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.090 -9.486 16.380 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.729 -9.877 14.572 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.488 -9.294 16.718 1.00 0.00 H new ATOM 582 N PHE A 41 0.359 -11.501 11.065 1.00 0.00 N ATOM 583 CA PHE A 41 -0.849 -11.719 10.277 1.00 0.00 C ATOM 584 C PHE A 41 -1.424 -13.108 10.534 1.00 0.00 C ATOM 585 O PHE A 41 -0.931 -14.103 10.003 1.00 0.00 O ATOM 586 CB PHE A 41 -0.549 -11.546 8.786 1.00 0.00 C ATOM 587 CG PHE A 41 -1.718 -11.034 7.995 1.00 0.00 C ATOM 588 CD1 PHE A 41 -3.013 -11.388 8.338 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.522 -10.198 6.907 1.00 0.00 C ATOM 590 CE1 PHE A 41 -4.091 -10.918 7.612 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.596 -9.725 6.177 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.882 -10.086 6.530 1.00 0.00 C ATOM 0 H PHE A 41 1.058 -10.912 10.612 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.589 -10.978 10.580 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.288 -10.857 8.669 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.233 -12.504 8.374 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.182 -12.039 9.183 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.519 -9.913 6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.095 -11.201 7.891 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.430 -9.074 5.331 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.723 -9.718 5.960 1.00 0.00 H new ATOM 602 N GLU A 42 -2.469 -13.168 11.353 1.00 0.00 N ATOM 603 CA GLU A 42 -3.110 -14.435 11.683 1.00 0.00 C ATOM 604 C GLU A 42 -3.080 -15.386 10.489 1.00 0.00 C ATOM 605 O GLU A 42 -2.807 -16.577 10.638 1.00 0.00 O ATOM 606 CB GLU A 42 -4.556 -14.202 12.126 1.00 0.00 C ATOM 607 CG GLU A 42 -5.341 -13.299 11.189 1.00 0.00 C ATOM 608 CD GLU A 42 -6.822 -13.271 11.512 1.00 0.00 C ATOM 609 OE1 GLU A 42 -7.541 -14.196 11.078 1.00 0.00 O ATOM 610 OE2 GLU A 42 -7.263 -12.325 12.198 1.00 0.00 O ATOM 0 H GLU A 42 -2.890 -12.354 11.800 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.556 -14.890 12.504 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.064 -15.164 12.201 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.555 -13.764 13.124 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.941 -12.287 11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.203 -13.639 10.163 1.00 0.00 H new ATOM 617 N ASN A 43 -3.362 -14.851 9.306 1.00 0.00 N ATOM 618 CA ASN A 43 -3.369 -15.651 8.087 1.00 0.00 C ATOM 619 C ASN A 43 -2.000 -16.278 7.841 1.00 0.00 C ATOM 620 O ASN A 43 -1.896 -17.468 7.545 1.00 0.00 O ATOM 621 CB ASN A 43 -3.770 -14.788 6.888 1.00 0.00 C ATOM 622 CG ASN A 43 -5.273 -14.734 6.692 1.00 0.00 C ATOM 623 OD1 ASN A 43 -5.988 -15.678 7.027 1.00 0.00 O ATOM 624 ND2 ASN A 43 -5.758 -13.625 6.147 1.00 0.00 N ATOM 0 H ASN A 43 -3.589 -13.867 9.165 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.099 -16.451 8.211 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.388 -13.777 7.028 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.303 -15.184 5.986 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.761 -13.530 5.991 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.127 -12.868 5.885 1.00 0.00 H new ATOM 631 N GLY A 44 -0.953 -15.469 7.966 1.00 0.00 N ATOM 632 CA GLY A 44 0.395 -15.963 7.754 1.00 0.00 C ATOM 633 C GLY A 44 1.118 -15.221 6.647 1.00 0.00 C ATOM 634 O GLY A 44 2.175 -15.652 6.190 1.00 0.00 O ATOM 0 H GLY A 44 -1.014 -14.481 8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.962 -15.870 8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.355 -17.025 7.510 1.00 0.00 H new ATOM 638 N GLU A 45 0.544 -14.102 6.215 1.00 0.00 N ATOM 639 CA GLU A 45 1.140 -13.300 5.153 1.00 0.00 C ATOM 640 C GLU A 45 2.386 -12.574 5.652 1.00 0.00 C ATOM 641 O GLU A 45 2.314 -11.744 6.559 1.00 0.00 O ATOM 642 CB GLU A 45 0.126 -12.286 4.619 1.00 0.00 C ATOM 643 CG GLU A 45 0.707 -11.326 3.595 1.00 0.00 C ATOM 644 CD GLU A 45 0.830 -11.947 2.217 1.00 0.00 C ATOM 645 OE1 GLU A 45 1.616 -12.906 2.066 1.00 0.00 O ATOM 646 OE2 GLU A 45 0.140 -11.473 1.290 1.00 0.00 O ATOM 0 H GLU A 45 -0.332 -13.731 6.584 1.00 0.00 H new ATOM 0 HA GLU A 45 1.431 -13.972 4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.709 -12.823 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.277 -11.713 5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.076 -10.439 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.690 -10.995 3.929 1.00 0.00 H new ATOM 653 N THR A 46 3.529 -12.894 5.054 1.00 0.00 N ATOM 654 CA THR A 46 4.792 -12.275 5.438 1.00 0.00 C ATOM 655 C THR A 46 5.004 -10.957 4.703 1.00 0.00 C ATOM 656 O THR A 46 6.063 -10.725 4.119 1.00 0.00 O ATOM 657 CB THR A 46 5.984 -13.208 5.152 1.00 0.00 C ATOM 658 OG1 THR A 46 5.940 -13.657 3.793 1.00 0.00 O ATOM 659 CG2 THR A 46 5.970 -14.406 6.089 1.00 0.00 C ATOM 0 H THR A 46 3.606 -13.578 4.302 1.00 0.00 H new ATOM 0 HA THR A 46 4.738 -12.085 6.510 1.00 0.00 H new ATOM 0 HB THR A 46 6.904 -12.648 5.319 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.702 -14.248 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.821 -15.051 5.868 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.034 -14.061 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.045 -14.966 5.950 1.00 0.00 H new ATOM 667 N SER A 47 3.992 -10.097 4.735 1.00 0.00 N ATOM 668 CA SER A 47 4.067 -8.802 4.068 1.00 0.00 C ATOM 669 C SER A 47 3.896 -7.664 5.070 1.00 0.00 C ATOM 670 O SER A 47 2.915 -7.620 5.814 1.00 0.00 O ATOM 671 CB SER A 47 2.997 -8.703 2.979 1.00 0.00 C ATOM 672 OG SER A 47 1.779 -8.206 3.504 1.00 0.00 O ATOM 0 H SER A 47 3.110 -10.273 5.216 1.00 0.00 H new ATOM 0 HA SER A 47 5.052 -8.714 3.609 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.346 -8.049 2.180 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.832 -9.685 2.537 1.00 0.00 H new ATOM 0 HG SER A 47 1.818 -8.213 4.483 1.00 0.00 H new ATOM 678 N ILE A 48 4.856 -6.747 5.083 1.00 0.00 N ATOM 679 CA ILE A 48 4.812 -5.608 5.992 1.00 0.00 C ATOM 680 C ILE A 48 3.602 -4.725 5.708 1.00 0.00 C ATOM 681 O ILE A 48 3.599 -3.945 4.756 1.00 0.00 O ATOM 682 CB ILE A 48 6.091 -4.756 5.890 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.331 -5.638 6.048 1.00 0.00 C ATOM 684 CG2 ILE A 48 6.079 -3.655 6.940 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.474 -6.238 7.429 1.00 0.00 C ATOM 0 H ILE A 48 5.674 -6.770 4.475 1.00 0.00 H new ATOM 0 HA ILE A 48 4.735 -6.012 7.001 1.00 0.00 H new ATOM 0 HB ILE A 48 6.123 -4.291 4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.291 -6.442 5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.219 -5.046 5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.989 -3.061 6.855 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.212 -3.013 6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.027 -4.100 7.934 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.375 -6.851 7.468 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.546 -5.439 8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.604 -6.857 7.649 1.00 0.00 H new ATOM 697 N VAL A 49 2.575 -4.851 6.543 1.00 0.00 N ATOM 698 CA VAL A 49 1.359 -4.063 6.384 1.00 0.00 C ATOM 699 C VAL A 49 1.198 -3.065 7.525 1.00 0.00 C ATOM 700 O VAL A 49 1.557 -3.351 8.668 1.00 0.00 O ATOM 701 CB VAL A 49 0.110 -4.962 6.323 1.00 0.00 C ATOM 702 CG1 VAL A 49 -0.237 -5.297 4.880 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.327 -6.230 7.135 1.00 0.00 C ATOM 0 H VAL A 49 2.561 -5.492 7.337 1.00 0.00 H new ATOM 0 HA VAL A 49 1.454 -3.522 5.442 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.729 -4.418 6.757 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.122 -5.933 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.437 -4.377 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.599 -5.822 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.565 -6.854 7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.178 -6.779 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.524 -5.967 8.174 1.00 0.00 H new ATOM 713 N ILE A 50 0.656 -1.894 7.208 1.00 0.00 N ATOM 714 CA ILE A 50 0.446 -0.855 8.208 1.00 0.00 C ATOM 715 C ILE A 50 -0.730 -1.196 9.117 1.00 0.00 C ATOM 716 O ILE A 50 -1.889 -1.079 8.720 1.00 0.00 O ATOM 717 CB ILE A 50 0.191 0.515 7.552 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.409 0.946 6.732 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.137 1.557 8.610 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.585 1.381 7.578 1.00 0.00 C ATOM 0 H ILE A 50 0.355 -1.641 6.267 1.00 0.00 H new ATOM 0 HA ILE A 50 1.358 -0.801 8.802 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.663 0.426 6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.718 0.119 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.122 1.766 6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.314 2.519 8.130 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.031 1.253 9.155 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.699 1.646 9.304 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.411 1.672 6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.293 2.229 8.198 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.899 0.556 8.217 1.00 0.00 H new ATOM 732 N SER A 51 -0.423 -1.617 10.340 1.00 0.00 N ATOM 733 CA SER A 51 -1.454 -1.977 11.306 1.00 0.00 C ATOM 734 C SER A 51 -1.766 -0.804 12.230 1.00 0.00 C ATOM 735 O SER A 51 -2.319 -0.985 13.315 1.00 0.00 O ATOM 736 CB SER A 51 -1.010 -3.187 12.131 1.00 0.00 C ATOM 737 OG SER A 51 -2.127 -3.908 12.621 1.00 0.00 O ATOM 0 H SER A 51 0.532 -1.717 10.685 1.00 0.00 H new ATOM 0 HA SER A 51 -2.359 -2.234 10.755 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.391 -3.842 11.518 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.393 -2.855 12.966 1.00 0.00 H new ATOM 0 HG SER A 51 -2.724 -3.298 13.103 1.00 0.00 H new ATOM 743 N ASP A 52 -1.408 0.398 11.792 1.00 0.00 N ATOM 744 CA ASP A 52 -1.650 1.602 12.578 1.00 0.00 C ATOM 745 C ASP A 52 -1.508 2.852 11.715 1.00 0.00 C ATOM 746 O ASP A 52 -0.446 3.109 11.148 1.00 0.00 O ATOM 747 CB ASP A 52 -0.681 1.669 13.760 1.00 0.00 C ATOM 748 CG ASP A 52 -1.055 2.750 14.754 1.00 0.00 C ATOM 749 OD1 ASP A 52 -2.236 2.802 15.157 1.00 0.00 O ATOM 750 OD2 ASP A 52 -0.168 3.544 15.130 1.00 0.00 O ATOM 0 H ASP A 52 -0.949 0.564 10.896 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.671 1.559 12.958 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.663 0.704 14.267 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.327 1.853 13.389 1.00 0.00 H new ATOM 755 N VAL A 53 -2.585 3.626 11.621 1.00 0.00 N ATOM 756 CA VAL A 53 -2.580 4.849 10.828 1.00 0.00 C ATOM 757 C VAL A 53 -3.233 5.999 11.586 1.00 0.00 C ATOM 758 O VAL A 53 -4.451 6.175 11.540 1.00 0.00 O ATOM 759 CB VAL A 53 -3.312 4.651 9.487 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.473 5.980 8.765 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.568 3.649 8.617 1.00 0.00 C ATOM 0 H VAL A 53 -3.472 3.427 12.084 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.536 5.094 10.631 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.306 4.253 9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.992 5.820 7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.052 6.664 9.386 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.490 6.410 8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.099 3.521 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.561 4.016 8.420 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.510 2.691 9.134 1.00 0.00 H new ATOM 771 N LEU A 54 -2.416 6.779 12.284 1.00 0.00 N ATOM 772 CA LEU A 54 -2.913 7.914 13.054 1.00 0.00 C ATOM 773 C LEU A 54 -4.006 8.654 12.289 1.00 0.00 C ATOM 774 O LEU A 54 -3.758 9.291 11.264 1.00 0.00 O ATOM 775 CB LEU A 54 -1.768 8.873 13.385 1.00 0.00 C ATOM 776 CG LEU A 54 -1.888 9.631 14.707 1.00 0.00 C ATOM 777 CD1 LEU A 54 -1.962 8.658 15.875 1.00 0.00 C ATOM 778 CD2 LEU A 54 -0.718 10.588 14.882 1.00 0.00 C ATOM 0 H LEU A 54 -1.406 6.647 12.333 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.339 7.533 13.982 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.838 8.305 13.398 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.686 9.601 12.578 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.809 10.214 14.687 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.047 9.215 16.808 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.833 8.013 15.757 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.059 8.048 15.898 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.821 11.119 15.829 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.216 10.025 14.881 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.710 11.306 14.062 1.00 0.00 H new ATOM 790 N PRO A 55 -5.244 8.571 12.797 1.00 0.00 N ATOM 791 CA PRO A 55 -6.399 9.228 12.178 1.00 0.00 C ATOM 792 C PRO A 55 -6.341 10.747 12.310 1.00 0.00 C ATOM 793 O PRO A 55 -7.142 11.463 11.711 1.00 0.00 O ATOM 794 CB PRO A 55 -7.589 8.669 12.963 1.00 0.00 C ATOM 795 CG PRO A 55 -7.021 8.281 14.285 1.00 0.00 C ATOM 796 CD PRO A 55 -5.613 7.829 14.014 1.00 0.00 C ATOM 0 HA PRO A 55 -6.450 9.037 11.106 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.376 9.415 13.074 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.031 7.812 12.455 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.034 9.123 14.978 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.606 7.483 14.742 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.948 8.065 14.845 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.560 6.751 13.859 1.00 0.00 H new ATOM 804 N GLY A 56 -5.387 11.232 13.099 1.00 0.00 N ATOM 805 CA GLY A 56 -5.242 12.662 13.294 1.00 0.00 C ATOM 806 C GLY A 56 -3.844 13.153 12.974 1.00 0.00 C ATOM 807 O GLY A 56 -3.452 14.243 13.387 1.00 0.00 O ATOM 0 H GLY A 56 -4.712 10.660 13.606 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.961 13.186 12.664 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.483 12.911 14.327 1.00 0.00 H new ATOM 811 N GLY A 57 -3.088 12.343 12.238 1.00 0.00 N ATOM 812 CA GLY A 57 -1.733 12.718 11.878 1.00 0.00 C ATOM 813 C GLY A 57 -1.549 12.857 10.379 1.00 0.00 C ATOM 814 O GLY A 57 -2.505 13.066 9.632 1.00 0.00 O ATOM 0 H GLY A 57 -3.390 11.435 11.885 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.480 13.662 12.361 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.039 11.969 12.258 1.00 0.00 H new ATOM 818 N PRO A 58 -0.294 12.741 9.920 1.00 0.00 N ATOM 819 CA PRO A 58 0.041 12.853 8.498 1.00 0.00 C ATOM 820 C PRO A 58 -0.469 11.667 7.687 1.00 0.00 C ATOM 821 O PRO A 58 -1.023 11.838 6.601 1.00 0.00 O ATOM 822 CB PRO A 58 1.572 12.884 8.496 1.00 0.00 C ATOM 823 CG PRO A 58 1.966 12.180 9.748 1.00 0.00 C ATOM 824 CD PRO A 58 0.893 12.492 10.754 1.00 0.00 C ATOM 0 HA PRO A 58 -0.417 13.729 8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.977 12.384 7.616 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.947 13.907 8.482 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.046 11.106 9.583 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.940 12.522 10.098 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.734 11.662 11.442 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.149 13.362 11.358 1.00 0.00 H new ATOM 832 N ALA A 59 -0.278 10.465 8.220 1.00 0.00 N ATOM 833 CA ALA A 59 -0.721 9.251 7.547 1.00 0.00 C ATOM 834 C ALA A 59 -2.216 9.302 7.251 1.00 0.00 C ATOM 835 O ALA A 59 -2.657 8.929 6.164 1.00 0.00 O ATOM 836 CB ALA A 59 -0.389 8.029 8.390 1.00 0.00 C ATOM 0 H ALA A 59 0.181 10.306 9.117 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.192 9.178 6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.726 7.129 7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.689 7.976 8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.892 8.105 9.354 1.00 0.00 H new ATOM 842 N ASP A 60 -2.991 9.764 8.226 1.00 0.00 N ATOM 843 CA ASP A 60 -4.438 9.864 8.070 1.00 0.00 C ATOM 844 C ASP A 60 -4.799 10.431 6.700 1.00 0.00 C ATOM 845 O ASP A 60 -4.886 11.645 6.524 1.00 0.00 O ATOM 846 CB ASP A 60 -5.032 10.742 9.172 1.00 0.00 C ATOM 847 CG ASP A 60 -6.248 11.517 8.703 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.186 10.884 8.176 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.261 12.755 8.863 1.00 0.00 O ATOM 0 H ASP A 60 -2.642 10.075 9.133 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.857 8.861 8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.309 10.117 10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.273 11.441 9.524 1.00 0.00 H new ATOM 854 N GLY A 61 -5.007 9.542 5.733 1.00 0.00 N ATOM 855 CA GLY A 61 -5.355 9.974 4.392 1.00 0.00 C ATOM 856 C GLY A 61 -4.368 9.484 3.351 1.00 0.00 C ATOM 857 O GLY A 61 -4.759 8.909 2.335 1.00 0.00 O ATOM 0 H GLY A 61 -4.941 8.531 5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.352 9.609 4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.398 11.063 4.364 1.00 0.00 H new ATOM 861 N LEU A 62 -3.084 9.714 3.603 1.00 0.00 N ATOM 862 CA LEU A 62 -2.036 9.293 2.678 1.00 0.00 C ATOM 863 C LEU A 62 -1.925 7.773 2.636 1.00 0.00 C ATOM 864 O LEU A 62 -1.680 7.186 1.581 1.00 0.00 O ATOM 865 CB LEU A 62 -0.694 9.903 3.087 1.00 0.00 C ATOM 866 CG LEU A 62 -0.637 11.430 3.136 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.595 11.895 3.897 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.648 12.010 1.730 1.00 0.00 C ATOM 0 H LEU A 62 -2.743 10.189 4.439 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.301 9.646 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.428 9.518 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.068 9.553 2.391 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.521 11.790 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.618 12.984 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.560 11.510 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.491 11.524 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.607 13.098 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.216 11.642 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.561 11.707 1.218 1.00 0.00 H new ATOM 880 N LEU A 63 -2.109 7.139 3.789 1.00 0.00 N ATOM 881 CA LEU A 63 -2.032 5.686 3.884 1.00 0.00 C ATOM 882 C LEU A 63 -3.167 5.135 4.742 1.00 0.00 C ATOM 883 O LEU A 63 -3.799 5.872 5.498 1.00 0.00 O ATOM 884 CB LEU A 63 -0.684 5.264 4.471 1.00 0.00 C ATOM 885 CG LEU A 63 0.541 5.523 3.592 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.820 5.363 4.399 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.544 4.588 2.392 1.00 0.00 C ATOM 0 H LEU A 63 -2.313 7.609 4.671 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.129 5.276 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.544 5.785 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.726 4.198 4.696 1.00 0.00 H new ATOM 0 HG LEU A 63 0.492 6.549 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.681 5.551 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.821 6.074 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.876 4.349 4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.423 4.787 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.568 3.554 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.357 4.752 1.800 1.00 0.00 H new ATOM 899 N GLN A 64 -3.418 3.835 4.620 1.00 0.00 N ATOM 900 CA GLN A 64 -4.475 3.187 5.385 1.00 0.00 C ATOM 901 C GLN A 64 -3.967 1.906 6.039 1.00 0.00 C ATOM 902 O GLN A 64 -2.815 1.517 5.850 1.00 0.00 O ATOM 903 CB GLN A 64 -5.669 2.872 4.481 1.00 0.00 C ATOM 904 CG GLN A 64 -6.396 4.110 3.982 1.00 0.00 C ATOM 905 CD GLN A 64 -7.690 3.777 3.265 1.00 0.00 C ATOM 906 OE1 GLN A 64 -7.755 2.586 2.682 1.00 0.00 O flip ATOM 907 NE2 GLN A 64 -8.622 4.581 3.236 1.00 0.00 N flip ATOM 0 H GLN A 64 -2.903 3.211 3.999 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.793 3.873 6.170 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.323 2.294 3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.372 2.243 5.027 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.611 4.766 4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.743 4.663 3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.530 5.486 3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.487 4.342 2.750 1.00 0.00 H new ATOM 916 N GLU A 65 -4.834 1.257 6.810 1.00 0.00 N ATOM 917 CA GLU A 65 -4.470 0.021 7.493 1.00 0.00 C ATOM 918 C GLU A 65 -4.428 -1.150 6.515 1.00 0.00 C ATOM 919 O GLU A 65 -5.259 -1.248 5.613 1.00 0.00 O ATOM 920 CB GLU A 65 -5.463 -0.277 8.619 1.00 0.00 C ATOM 921 CG GLU A 65 -4.835 -0.964 9.819 1.00 0.00 C ATOM 922 CD GLU A 65 -5.857 -1.670 10.689 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.362 -2.731 10.266 1.00 0.00 O ATOM 924 OE2 GLU A 65 -6.151 -1.162 11.791 1.00 0.00 O ATOM 0 H GLU A 65 -5.792 1.566 6.977 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.475 0.152 7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.921 0.657 8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.263 -0.906 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.096 -1.687 9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.302 -0.225 10.418 1.00 0.00 H new ATOM 931 N ASN A 66 -3.454 -2.034 6.701 1.00 0.00 N ATOM 932 CA ASN A 66 -3.301 -3.197 5.834 1.00 0.00 C ATOM 933 C ASN A 66 -2.787 -2.787 4.458 1.00 0.00 C ATOM 934 O ASN A 66 -3.163 -3.373 3.443 1.00 0.00 O ATOM 935 CB ASN A 66 -4.636 -3.932 5.693 1.00 0.00 C ATOM 936 CG ASN A 66 -5.421 -3.958 6.991 1.00 0.00 C ATOM 937 OD1 ASN A 66 -4.942 -4.455 8.010 1.00 0.00 O ATOM 938 ND2 ASN A 66 -6.636 -3.422 6.957 1.00 0.00 N ATOM 0 H ASN A 66 -2.759 -1.968 7.444 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.571 -3.865 6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.234 -3.449 4.920 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.452 -4.954 5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.212 -3.411 7.798 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.992 -3.021 6.089 1.00 0.00 H new ATOM 945 N ASP A 67 -1.923 -1.778 4.432 1.00 0.00 N ATOM 946 CA ASP A 67 -1.355 -1.289 3.181 1.00 0.00 C ATOM 947 C ASP A 67 -0.112 -2.089 2.800 1.00 0.00 C ATOM 948 O ASP A 67 1.012 -1.688 3.101 1.00 0.00 O ATOM 949 CB ASP A 67 -1.004 0.195 3.300 1.00 0.00 C ATOM 950 CG ASP A 67 -2.216 1.091 3.132 1.00 0.00 C ATOM 951 OD1 ASP A 67 -3.336 0.639 3.450 1.00 0.00 O ATOM 952 OD2 ASP A 67 -2.044 2.243 2.683 1.00 0.00 O ATOM 0 H ASP A 67 -1.601 -1.283 5.263 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.102 -1.416 2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.550 0.381 4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.259 0.451 2.547 1.00 0.00 H new ATOM 957 N ARG A 68 -0.324 -3.221 2.138 1.00 0.00 N ATOM 958 CA ARG A 68 0.778 -4.078 1.718 1.00 0.00 C ATOM 959 C ARG A 68 1.972 -3.244 1.263 1.00 0.00 C ATOM 960 O ARG A 68 2.021 -2.782 0.123 1.00 0.00 O ATOM 961 CB ARG A 68 0.329 -5.006 0.587 1.00 0.00 C ATOM 962 CG ARG A 68 -0.082 -6.390 1.062 1.00 0.00 C ATOM 963 CD ARG A 68 -1.376 -6.344 1.859 1.00 0.00 C ATOM 964 NE ARG A 68 -2.201 -7.528 1.632 1.00 0.00 N ATOM 965 CZ ARG A 68 -3.288 -7.813 2.339 1.00 0.00 C ATOM 966 NH1 ARG A 68 -3.680 -7.003 3.314 1.00 0.00 N ATOM 967 NH2 ARG A 68 -3.987 -8.909 2.072 1.00 0.00 N ATOM 0 H ARG A 68 -1.249 -3.566 1.881 1.00 0.00 H new ATOM 0 HA ARG A 68 1.083 -4.681 2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.509 -4.547 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.140 -5.105 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.206 -7.049 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.711 -6.815 1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.145 -6.261 2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.939 -5.452 1.585 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.927 -8.171 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.146 -6.159 3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.515 -7.224 3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.689 -9.534 1.323 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.822 -9.127 2.616 1.00 0.00 H new ATOM 981 N VAL A 69 2.933 -3.056 2.161 1.00 0.00 N ATOM 982 CA VAL A 69 4.128 -2.279 1.852 1.00 0.00 C ATOM 983 C VAL A 69 5.005 -3.000 0.835 1.00 0.00 C ATOM 984 O VAL A 69 5.397 -4.149 1.042 1.00 0.00 O ATOM 985 CB VAL A 69 4.956 -1.995 3.119 1.00 0.00 C ATOM 986 CG1 VAL A 69 6.192 -1.177 2.777 1.00 0.00 C ATOM 987 CG2 VAL A 69 4.107 -1.284 4.162 1.00 0.00 C ATOM 0 H VAL A 69 2.908 -3.431 3.109 1.00 0.00 H new ATOM 0 HA VAL A 69 3.790 -1.333 1.429 1.00 0.00 H new ATOM 0 HB VAL A 69 5.284 -2.946 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.765 -0.986 3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.809 -1.729 2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.889 -0.229 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.708 -1.091 5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.747 -0.339 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.257 -1.912 4.428 1.00 0.00 H new ATOM 997 N VAL A 70 5.310 -2.319 -0.264 1.00 0.00 N ATOM 998 CA VAL A 70 6.143 -2.894 -1.314 1.00 0.00 C ATOM 999 C VAL A 70 7.538 -2.280 -1.306 1.00 0.00 C ATOM 1000 O VAL A 70 8.540 -2.991 -1.229 1.00 0.00 O ATOM 1001 CB VAL A 70 5.512 -2.691 -2.705 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.198 -3.575 -3.736 1.00 0.00 C ATOM 1003 CG2 VAL A 70 4.018 -2.973 -2.658 1.00 0.00 C ATOM 0 H VAL A 70 4.993 -1.368 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 70 6.218 -3.962 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 70 5.653 -1.652 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.739 -3.418 -4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.257 -3.320 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.090 -4.621 -3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.588 -2.825 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.852 -4.002 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.542 -2.294 -1.951 1.00 0.00 H new ATOM 1013 N MET A 71 7.596 -0.954 -1.387 1.00 0.00 N ATOM 1014 CA MET A 71 8.870 -0.244 -1.387 1.00 0.00 C ATOM 1015 C MET A 71 8.827 0.949 -0.437 1.00 0.00 C ATOM 1016 O MET A 71 7.762 1.506 -0.172 1.00 0.00 O ATOM 1017 CB MET A 71 9.215 0.227 -2.801 1.00 0.00 C ATOM 1018 CG MET A 71 10.441 1.123 -2.861 1.00 0.00 C ATOM 1019 SD MET A 71 11.334 0.975 -4.421 1.00 0.00 S ATOM 1020 CE MET A 71 12.349 -0.464 -4.095 1.00 0.00 C ATOM 0 H MET A 71 6.776 -0.350 -1.453 1.00 0.00 H new ATOM 0 HA MET A 71 9.642 -0.932 -1.043 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.380 -0.644 -3.435 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.362 0.765 -3.214 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.136 2.160 -2.718 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.110 0.872 -2.038 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.396 -0.166 -4.040 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.050 -0.913 -3.148 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.220 -1.190 -4.898 1.00 0.00 H new ATOM 1030 N VAL A 72 9.992 1.336 0.072 1.00 0.00 N ATOM 1031 CA VAL A 72 10.088 2.464 0.991 1.00 0.00 C ATOM 1032 C VAL A 72 11.368 3.257 0.757 1.00 0.00 C ATOM 1033 O VAL A 72 12.457 2.823 1.132 1.00 0.00 O ATOM 1034 CB VAL A 72 10.048 1.996 2.458 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.246 3.174 3.400 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.738 1.281 2.754 1.00 0.00 C ATOM 0 H VAL A 72 10.883 0.885 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 72 9.228 3.105 0.797 1.00 0.00 H new ATOM 0 HB VAL A 72 10.864 1.292 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.215 2.824 4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.212 3.639 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.453 3.905 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.727 0.957 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.904 1.961 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.643 0.412 2.103 1.00 0.00 H new ATOM 1046 N ASN A 73 11.230 4.423 0.134 1.00 0.00 N ATOM 1047 CA ASN A 73 12.377 5.278 -0.151 1.00 0.00 C ATOM 1048 C ASN A 73 13.355 4.581 -1.091 1.00 0.00 C ATOM 1049 O ASN A 73 14.547 4.886 -1.102 1.00 0.00 O ATOM 1050 CB ASN A 73 13.087 5.664 1.148 1.00 0.00 C ATOM 1051 CG ASN A 73 12.412 6.824 1.854 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.666 7.588 1.242 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.671 6.960 3.149 1.00 0.00 N ATOM 0 H ASN A 73 10.336 4.797 -0.183 1.00 0.00 H new ATOM 0 HA ASN A 73 12.013 6.181 -0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.113 4.802 1.815 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.121 5.928 0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.245 7.722 3.677 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.296 6.303 3.616 1.00 0.00 H new ATOM 1060 N GLY A 74 12.842 3.642 -1.881 1.00 0.00 N ATOM 1061 CA GLY A 74 13.683 2.916 -2.814 1.00 0.00 C ATOM 1062 C GLY A 74 14.218 1.624 -2.229 1.00 0.00 C ATOM 1063 O GLY A 74 15.252 1.117 -2.664 1.00 0.00 O ATOM 0 H GLY A 74 11.859 3.371 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.112 2.694 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.518 3.549 -3.113 1.00 0.00 H new ATOM 1067 N THR A 75 13.512 1.089 -1.237 1.00 0.00 N ATOM 1068 CA THR A 75 13.923 -0.150 -0.589 1.00 0.00 C ATOM 1069 C THR A 75 12.791 -1.172 -0.589 1.00 0.00 C ATOM 1070 O THR A 75 11.656 -0.877 -0.215 1.00 0.00 O ATOM 1071 CB THR A 75 14.375 0.098 0.862 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.459 1.033 0.885 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.806 -1.202 1.524 1.00 0.00 C ATOM 0 H THR A 75 12.653 1.495 -0.865 1.00 0.00 H new ATOM 0 HA THR A 75 14.764 -0.542 -1.161 1.00 0.00 H new ATOM 0 HB THR A 75 13.531 0.508 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.362 1.628 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.121 -1.002 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.970 -1.901 1.532 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.637 -1.636 0.967 1.00 0.00 H new ATOM 1081 N PRO A 76 13.105 -2.403 -1.019 1.00 0.00 N ATOM 1082 CA PRO A 76 12.127 -3.494 -1.077 1.00 0.00 C ATOM 1083 C PRO A 76 11.714 -3.977 0.310 1.00 0.00 C ATOM 1084 O PRO A 76 12.552 -4.401 1.104 1.00 0.00 O ATOM 1085 CB PRO A 76 12.874 -4.600 -1.827 1.00 0.00 C ATOM 1086 CG PRO A 76 14.315 -4.321 -1.576 1.00 0.00 C ATOM 1087 CD PRO A 76 14.438 -2.826 -1.480 1.00 0.00 C ATOM 0 HA PRO A 76 11.199 -3.185 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.592 -5.587 -1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.646 -4.579 -2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.650 -4.800 -0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.934 -4.712 -2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.218 -2.531 -0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.690 -2.381 -2.442 1.00 0.00 H new ATOM 1095 N MET A 77 10.417 -3.909 0.593 1.00 0.00 N ATOM 1096 CA MET A 77 9.894 -4.340 1.883 1.00 0.00 C ATOM 1097 C MET A 77 9.224 -5.706 1.769 1.00 0.00 C ATOM 1098 O MET A 77 8.450 -6.102 2.639 1.00 0.00 O ATOM 1099 CB MET A 77 8.895 -3.314 2.422 1.00 0.00 C ATOM 1100 CG MET A 77 9.398 -1.881 2.349 1.00 0.00 C ATOM 1101 SD MET A 77 10.463 -1.447 3.738 1.00 0.00 S ATOM 1102 CE MET A 77 12.077 -1.525 2.964 1.00 0.00 C ATOM 0 H MET A 77 9.710 -3.560 -0.054 1.00 0.00 H new ATOM 0 HA MET A 77 10.731 -4.421 2.577 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.965 -3.393 1.859 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.661 -3.556 3.459 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.946 -1.740 1.418 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.546 -1.202 2.323 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.850 -1.386 3.720 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.206 -2.497 2.488 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.159 -0.740 2.213 1.00 0.00 H new ATOM 1112 N GLU A 78 9.529 -6.421 0.690 1.00 0.00 N ATOM 1113 CA GLU A 78 8.955 -7.742 0.463 1.00 0.00 C ATOM 1114 C GLU A 78 9.868 -8.834 1.013 1.00 0.00 C ATOM 1115 O GLU A 78 11.054 -8.889 0.687 1.00 0.00 O ATOM 1116 CB GLU A 78 8.714 -7.968 -1.031 1.00 0.00 C ATOM 1117 CG GLU A 78 9.951 -7.750 -1.886 1.00 0.00 C ATOM 1118 CD GLU A 78 9.828 -8.379 -3.261 1.00 0.00 C ATOM 1119 OE1 GLU A 78 10.052 -9.602 -3.376 1.00 0.00 O ATOM 1120 OE2 GLU A 78 9.507 -7.648 -4.221 1.00 0.00 O ATOM 0 H GLU A 78 10.169 -6.108 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 78 8.002 -7.791 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.352 -8.985 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.926 -7.296 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.129 -6.680 -1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.819 -8.168 -1.376 1.00 0.00 H new ATOM 1127 N ASP A 79 9.307 -9.700 1.850 1.00 0.00 N ATOM 1128 CA ASP A 79 10.069 -10.791 2.446 1.00 0.00 C ATOM 1129 C ASP A 79 11.235 -10.253 3.269 1.00 0.00 C ATOM 1130 O ASP A 79 12.363 -10.734 3.155 1.00 0.00 O ATOM 1131 CB ASP A 79 10.588 -11.733 1.358 1.00 0.00 C ATOM 1132 CG ASP A 79 10.718 -13.163 1.844 1.00 0.00 C ATOM 1133 OD1 ASP A 79 11.688 -13.456 2.574 1.00 0.00 O ATOM 1134 OD2 ASP A 79 9.849 -13.989 1.496 1.00 0.00 O ATOM 0 H ASP A 79 8.327 -9.667 2.131 1.00 0.00 H new ATOM 0 HA ASP A 79 9.405 -11.345 3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.913 -11.703 0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.559 -11.381 1.010 1.00 0.00 H new ATOM 1139 N VAL A 80 10.956 -9.252 4.098 1.00 0.00 N ATOM 1140 CA VAL A 80 11.982 -8.648 4.940 1.00 0.00 C ATOM 1141 C VAL A 80 11.593 -8.716 6.412 1.00 0.00 C ATOM 1142 O VAL A 80 10.463 -9.069 6.753 1.00 0.00 O ATOM 1143 CB VAL A 80 12.231 -7.178 4.553 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.601 -7.068 3.082 1.00 0.00 C ATOM 1145 CG2 VAL A 80 11.009 -6.330 4.870 1.00 0.00 C ATOM 0 H VAL A 80 10.028 -8.842 4.205 1.00 0.00 H new ATOM 0 HA VAL A 80 12.898 -9.217 4.782 1.00 0.00 H new ATOM 0 HB VAL A 80 13.068 -6.802 5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.773 -6.022 2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.508 -7.642 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.788 -7.461 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.202 -5.294 4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.152 -6.703 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.796 -6.384 5.938 1.00 0.00 H new ATOM 1155 N LEU A 81 12.537 -8.375 7.284 1.00 0.00 N ATOM 1156 CA LEU A 81 12.294 -8.397 8.722 1.00 0.00 C ATOM 1157 C LEU A 81 11.563 -7.135 9.169 1.00 0.00 C ATOM 1158 O LEU A 81 11.727 -6.067 8.579 1.00 0.00 O ATOM 1159 CB LEU A 81 13.616 -8.530 9.480 1.00 0.00 C ATOM 1160 CG LEU A 81 14.339 -9.870 9.339 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.712 -9.807 9.989 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.509 -10.990 9.950 1.00 0.00 C ATOM 0 H LEU A 81 13.477 -8.080 7.020 1.00 0.00 H new ATOM 0 HA LEU A 81 11.665 -9.258 8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.287 -7.741 9.141 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.424 -8.353 10.538 1.00 0.00 H new ATOM 0 HG LEU A 81 14.472 -10.080 8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.211 -10.770 9.879 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.308 -9.032 9.507 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.603 -9.574 11.048 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.039 -11.936 9.841 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.345 -10.786 11.008 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.548 -11.051 9.439 1.00 0.00 H new ATOM 1174 N HIS A 82 10.756 -7.266 10.218 1.00 0.00 N ATOM 1175 CA HIS A 82 10.001 -6.136 10.747 1.00 0.00 C ATOM 1176 C HIS A 82 10.929 -4.973 11.085 1.00 0.00 C ATOM 1177 O HIS A 82 10.570 -3.808 10.909 1.00 0.00 O ATOM 1178 CB HIS A 82 9.217 -6.556 11.990 1.00 0.00 C ATOM 1179 CG HIS A 82 8.715 -5.400 12.801 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.381 -4.408 13.435 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.375 -5.171 13.034 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.442 -3.604 14.033 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.239 -4.086 13.775 1.00 0.00 N flip ATOM 0 H HIS A 82 10.609 -8.143 10.718 1.00 0.00 H new ATOM 0 HA HIS A 82 9.301 -5.808 9.979 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.370 -7.170 11.685 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.854 -7.180 12.617 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.564 -5.783 12.668 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.652 -2.721 14.619 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.356 -3.688 14.094 1.00 0.00 H new ATOM 1192 N SER A 83 12.123 -5.297 11.571 1.00 0.00 N ATOM 1193 CA SER A 83 13.101 -4.279 11.938 1.00 0.00 C ATOM 1194 C SER A 83 13.698 -3.626 10.694 1.00 0.00 C ATOM 1195 O SER A 83 14.152 -2.483 10.737 1.00 0.00 O ATOM 1196 CB SER A 83 14.213 -4.894 12.789 1.00 0.00 C ATOM 1197 OG SER A 83 13.702 -5.397 14.011 1.00 0.00 O ATOM 0 H SER A 83 12.437 -6.256 11.720 1.00 0.00 H new ATOM 0 HA SER A 83 12.590 -3.512 12.520 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.696 -5.699 12.235 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.977 -4.143 12.992 1.00 0.00 H new ATOM 0 HG SER A 83 14.433 -5.786 14.536 1.00 0.00 H new ATOM 1203 N PHE A 84 13.693 -4.362 9.588 1.00 0.00 N ATOM 1204 CA PHE A 84 14.235 -3.856 8.332 1.00 0.00 C ATOM 1205 C PHE A 84 13.280 -2.851 7.693 1.00 0.00 C ATOM 1206 O PHE A 84 13.705 -1.820 7.174 1.00 0.00 O ATOM 1207 CB PHE A 84 14.500 -5.011 7.364 1.00 0.00 C ATOM 1208 CG PHE A 84 15.034 -4.568 6.033 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.378 -4.268 5.875 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.193 -4.449 4.938 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.873 -3.860 4.651 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.683 -4.042 3.711 1.00 0.00 C ATOM 1213 CZ PHE A 84 16.024 -3.746 3.568 1.00 0.00 C ATOM 0 H PHE A 84 13.320 -5.310 9.535 1.00 0.00 H new ATOM 0 HA PHE A 84 15.176 -3.350 8.549 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.210 -5.701 7.820 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.574 -5.564 7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.047 -4.354 6.719 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.143 -4.677 5.044 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.923 -3.631 4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 84 14.017 -3.956 2.865 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.408 -3.426 2.611 1.00 0.00 H new ATOM 1223 N ALA A 85 11.989 -3.162 7.735 1.00 0.00 N ATOM 1224 CA ALA A 85 10.973 -2.287 7.163 1.00 0.00 C ATOM 1225 C ALA A 85 10.919 -0.953 7.900 1.00 0.00 C ATOM 1226 O ALA A 85 10.881 0.110 7.280 1.00 0.00 O ATOM 1227 CB ALA A 85 9.612 -2.966 7.195 1.00 0.00 C ATOM 0 H ALA A 85 11.622 -4.014 8.159 1.00 0.00 H new ATOM 0 HA ALA A 85 11.243 -2.088 6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.863 -2.301 6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.652 -3.889 6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.344 -3.195 8.226 1.00 0.00 H new ATOM 1233 N VAL A 86 10.915 -1.016 9.228 1.00 0.00 N ATOM 1234 CA VAL A 86 10.866 0.187 10.050 1.00 0.00 C ATOM 1235 C VAL A 86 12.149 0.999 9.914 1.00 0.00 C ATOM 1236 O VAL A 86 12.119 2.229 9.914 1.00 0.00 O ATOM 1237 CB VAL A 86 10.643 -0.157 11.535 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.570 -1.283 11.967 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.848 1.076 12.403 1.00 0.00 C ATOM 0 H VAL A 86 10.945 -1.887 9.757 1.00 0.00 H new ATOM 0 HA VAL A 86 10.025 0.781 9.692 1.00 0.00 H new ATOM 0 HB VAL A 86 9.615 -0.496 11.662 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.398 -1.512 13.019 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.371 -2.170 11.365 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.606 -0.975 11.827 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.687 0.815 13.449 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.865 1.447 12.274 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.139 1.850 12.108 1.00 0.00 H new ATOM 1249 N GLN A 87 13.274 0.301 9.798 1.00 0.00 N ATOM 1250 CA GLN A 87 14.569 0.958 9.661 1.00 0.00 C ATOM 1251 C GLN A 87 14.483 2.135 8.695 1.00 0.00 C ATOM 1252 O GLN A 87 14.791 3.270 9.058 1.00 0.00 O ATOM 1253 CB GLN A 87 15.622 -0.039 9.175 1.00 0.00 C ATOM 1254 CG GLN A 87 17.038 0.318 9.595 1.00 0.00 C ATOM 1255 CD GLN A 87 17.435 -0.322 10.911 1.00 0.00 C ATOM 1256 OE1 GLN A 87 16.809 -0.085 11.944 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.481 -1.140 10.879 1.00 0.00 N ATOM 0 H GLN A 87 13.315 -0.718 9.796 1.00 0.00 H new ATOM 0 HA GLN A 87 14.861 1.336 10.641 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.377 -1.029 9.559 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.579 -0.099 8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.734 0.003 8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.125 1.401 9.681 1.00 0.00 H new ATOM 0 HE21 GLN A 87 18.971 -1.308 10.000 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.795 -1.601 11.733 1.00 0.00 H new ATOM 1266 N GLN A 88 14.062 1.857 7.466 1.00 0.00 N ATOM 1267 CA GLN A 88 13.937 2.893 6.448 1.00 0.00 C ATOM 1268 C GLN A 88 13.172 4.097 6.989 1.00 0.00 C ATOM 1269 O GLN A 88 13.510 5.244 6.695 1.00 0.00 O ATOM 1270 CB GLN A 88 13.231 2.339 5.210 1.00 0.00 C ATOM 1271 CG GLN A 88 13.905 1.109 4.624 1.00 0.00 C ATOM 1272 CD GLN A 88 15.246 1.425 3.991 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.389 2.414 3.272 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.239 0.584 4.256 1.00 0.00 N ATOM 0 H GLN A 88 13.802 0.923 7.151 1.00 0.00 H new ATOM 0 HA GLN A 88 14.940 3.217 6.170 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.202 2.090 5.470 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.188 3.117 4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.044 0.366 5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.250 0.662 3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.077 -0.224 4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.164 0.746 3.858 1.00 0.00 H new ATOM 1283 N LEU A 89 12.139 3.828 7.779 1.00 0.00 N ATOM 1284 CA LEU A 89 11.324 4.889 8.361 1.00 0.00 C ATOM 1285 C LEU A 89 12.164 5.787 9.264 1.00 0.00 C ATOM 1286 O LEU A 89 12.142 7.011 9.133 1.00 0.00 O ATOM 1287 CB LEU A 89 10.163 4.290 9.156 1.00 0.00 C ATOM 1288 CG LEU A 89 9.301 3.266 8.417 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.106 2.862 9.267 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.841 3.824 7.078 1.00 0.00 C ATOM 0 H LEU A 89 11.846 2.884 8.032 1.00 0.00 H new ATOM 0 HA LEU A 89 10.924 5.494 7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.568 3.816 10.051 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.519 5.104 9.490 1.00 0.00 H new ATOM 0 HG LEU A 89 9.905 2.378 8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.504 2.133 8.725 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.456 2.422 10.201 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.501 3.742 9.485 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.229 3.082 6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.254 4.728 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.710 4.063 6.465 1.00 0.00 H new ATOM 1302 N ARG A 90 12.905 5.171 10.179 1.00 0.00 N ATOM 1303 CA ARG A 90 13.753 5.914 11.103 1.00 0.00 C ATOM 1304 C ARG A 90 14.926 6.557 10.367 1.00 0.00 C ATOM 1305 O ARG A 90 15.467 7.572 10.806 1.00 0.00 O ATOM 1306 CB ARG A 90 14.274 4.991 12.206 1.00 0.00 C ATOM 1307 CG ARG A 90 14.905 3.712 11.682 1.00 0.00 C ATOM 1308 CD ARG A 90 15.529 2.898 12.805 1.00 0.00 C ATOM 1309 NE ARG A 90 16.312 3.730 13.714 1.00 0.00 N ATOM 1310 CZ ARG A 90 15.790 4.382 14.747 1.00 0.00 C ATOM 1311 NH1 ARG A 90 14.492 4.299 15.000 1.00 0.00 N ATOM 1312 NH2 ARG A 90 16.568 5.120 15.529 1.00 0.00 N ATOM 0 H ARG A 90 12.935 4.159 10.300 1.00 0.00 H new ATOM 0 HA ARG A 90 13.152 6.704 11.554 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.009 5.531 12.803 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.450 4.733 12.872 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.149 3.113 11.174 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.667 3.957 10.942 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.743 2.390 13.364 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.169 2.124 12.380 1.00 0.00 H new ATOM 0 HE ARG A 90 17.315 3.815 13.547 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.891 3.733 14.401 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.094 4.801 15.794 1.00 0.00 H new ATOM 0 HH21 ARG A 90 17.568 5.187 15.337 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.166 5.620 16.322 1.00 0.00 H new ATOM 1326 N LYS A 91 15.313 5.959 9.245 1.00 0.00 N ATOM 1327 CA LYS A 91 16.420 6.472 8.448 1.00 0.00 C ATOM 1328 C LYS A 91 16.025 7.761 7.733 1.00 0.00 C ATOM 1329 O LYS A 91 16.827 8.687 7.614 1.00 0.00 O ATOM 1330 CB LYS A 91 16.866 5.426 7.424 1.00 0.00 C ATOM 1331 CG LYS A 91 17.588 4.241 8.042 1.00 0.00 C ATOM 1332 CD LYS A 91 17.793 3.124 7.031 1.00 0.00 C ATOM 1333 CE LYS A 91 19.022 3.369 6.170 1.00 0.00 C ATOM 1334 NZ LYS A 91 19.340 2.196 5.310 1.00 0.00 N ATOM 0 H LYS A 91 14.876 5.118 8.867 1.00 0.00 H new ATOM 0 HA LYS A 91 17.249 6.690 9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.992 5.066 6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.522 5.900 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.554 4.564 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.014 3.865 8.889 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.898 2.173 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.912 3.042 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.857 4.245 5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.875 3.592 6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.184 2.403 4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.523 1.366 5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.536 1.999 4.681 1.00 0.00 H new ATOM 1348 N SER A 92 14.783 7.813 7.261 1.00 0.00 N ATOM 1349 CA SER A 92 14.283 8.988 6.556 1.00 0.00 C ATOM 1350 C SER A 92 14.493 10.250 7.387 1.00 0.00 C ATOM 1351 O SER A 92 14.408 10.221 8.614 1.00 0.00 O ATOM 1352 CB SER A 92 12.797 8.819 6.231 1.00 0.00 C ATOM 1353 OG SER A 92 12.321 9.897 5.445 1.00 0.00 O ATOM 0 H SER A 92 14.105 7.056 7.354 1.00 0.00 H new ATOM 0 HA SER A 92 14.842 9.089 5.626 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.643 7.881 5.698 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.224 8.759 7.156 1.00 0.00 H new ATOM 0 HG SER A 92 12.151 9.586 4.531 1.00 0.00 H new ATOM 1359 N GLY A 93 14.768 11.360 6.708 1.00 0.00 N ATOM 1360 CA GLY A 93 14.986 12.617 7.398 1.00 0.00 C ATOM 1361 C GLY A 93 13.694 13.243 7.885 1.00 0.00 C ATOM 1362 O GLY A 93 13.400 13.229 9.081 1.00 0.00 O ATOM 0 H GLY A 93 14.844 11.410 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.649 12.451 8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.493 13.312 6.729 1.00 0.00 H new ATOM 1366 N LYS A 94 12.919 13.795 6.957 1.00 0.00 N ATOM 1367 CA LYS A 94 11.651 14.430 7.298 1.00 0.00 C ATOM 1368 C LYS A 94 10.518 13.876 6.440 1.00 0.00 C ATOM 1369 O LYS A 94 9.436 13.575 6.944 1.00 0.00 O ATOM 1370 CB LYS A 94 11.750 15.946 7.113 1.00 0.00 C ATOM 1371 CG LYS A 94 10.497 16.693 7.535 1.00 0.00 C ATOM 1372 CD LYS A 94 10.515 17.018 9.019 1.00 0.00 C ATOM 1373 CE LYS A 94 9.330 17.886 9.414 1.00 0.00 C ATOM 1374 NZ LYS A 94 9.543 18.552 10.729 1.00 0.00 N ATOM 0 H LYS A 94 13.147 13.815 5.963 1.00 0.00 H new ATOM 0 HA LYS A 94 11.433 14.211 8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.597 16.319 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.957 16.163 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.411 17.615 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.618 16.091 7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.498 16.093 9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.443 17.532 9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.162 18.642 8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.430 17.273 9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.713 19.134 10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.678 17.830 11.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.387 19.157 10.679 1.00 0.00 H new ATOM 1388 N ILE A 95 10.775 13.743 5.143 1.00 0.00 N ATOM 1389 CA ILE A 95 9.777 13.222 4.216 1.00 0.00 C ATOM 1390 C ILE A 95 10.176 11.847 3.694 1.00 0.00 C ATOM 1391 O ILE A 95 11.270 11.668 3.160 1.00 0.00 O ATOM 1392 CB ILE A 95 9.568 14.172 3.022 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.410 15.614 3.510 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.353 13.745 2.212 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.181 15.831 4.365 1.00 0.00 C ATOM 0 H ILE A 95 11.665 13.989 4.710 1.00 0.00 H new ATOM 0 HA ILE A 95 8.843 13.139 4.772 1.00 0.00 H new ATOM 0 HB ILE A 95 10.446 14.121 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.295 15.895 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.364 16.278 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.218 14.426 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.503 12.732 1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.466 13.770 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.133 16.875 4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.289 15.582 3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.234 15.193 5.247 1.00 0.00 H new ATOM 1407 N ALA A 96 9.281 10.877 3.850 1.00 0.00 N ATOM 1408 CA ALA A 96 9.538 9.518 3.391 1.00 0.00 C ATOM 1409 C ALA A 96 8.568 9.121 2.283 1.00 0.00 C ATOM 1410 O ALA A 96 7.459 9.645 2.199 1.00 0.00 O ATOM 1411 CB ALA A 96 9.443 8.541 4.554 1.00 0.00 C ATOM 0 H ALA A 96 8.371 11.008 4.291 1.00 0.00 H new ATOM 0 HA ALA A 96 10.548 9.483 2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.637 7.530 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.180 8.805 5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.444 8.587 4.987 1.00 0.00 H new ATOM 1417 N ALA A 97 8.996 8.191 1.435 1.00 0.00 N ATOM 1418 CA ALA A 97 8.165 7.723 0.333 1.00 0.00 C ATOM 1419 C ALA A 97 7.858 6.235 0.470 1.00 0.00 C ATOM 1420 O ALA A 97 8.754 5.396 0.373 1.00 0.00 O ATOM 1421 CB ALA A 97 8.847 8.002 -0.998 1.00 0.00 C ATOM 0 H ALA A 97 9.913 7.747 1.490 1.00 0.00 H new ATOM 0 HA ALA A 97 7.221 8.267 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.215 7.647 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.010 9.074 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.806 7.485 -1.031 1.00 0.00 H new ATOM 1427 N ILE A 98 6.589 5.916 0.696 1.00 0.00 N ATOM 1428 CA ILE A 98 6.165 4.529 0.846 1.00 0.00 C ATOM 1429 C ILE A 98 5.228 4.115 -0.283 1.00 0.00 C ATOM 1430 O ILE A 98 4.235 4.788 -0.559 1.00 0.00 O ATOM 1431 CB ILE A 98 5.458 4.299 2.195 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.366 4.725 3.351 1.00 0.00 C ATOM 1433 CG2 ILE A 98 5.055 2.839 2.340 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.656 4.786 4.685 1.00 0.00 C ATOM 0 H ILE A 98 5.836 6.599 0.779 1.00 0.00 H new ATOM 0 HA ILE A 98 7.067 3.918 0.809 1.00 0.00 H new ATOM 0 HB ILE A 98 4.555 4.909 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.200 4.027 3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.789 5.705 3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.557 2.693 3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.375 2.567 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.944 2.210 2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.360 5.095 5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.839 5.506 4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.257 3.802 4.930 1.00 0.00 H new ATOM 1446 N VAL A 99 5.551 3.002 -0.934 1.00 0.00 N ATOM 1447 CA VAL A 99 4.736 2.495 -2.032 1.00 0.00 C ATOM 1448 C VAL A 99 3.936 1.271 -1.604 1.00 0.00 C ATOM 1449 O VAL A 99 4.459 0.157 -1.560 1.00 0.00 O ATOM 1450 CB VAL A 99 5.604 2.127 -3.251 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.729 1.727 -4.429 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.517 3.285 -3.623 1.00 0.00 C ATOM 0 H VAL A 99 6.371 2.434 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 99 4.049 3.294 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 99 6.228 1.273 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.360 1.471 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.122 0.865 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.078 2.559 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.123 3.008 -4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.914 4.159 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.169 3.519 -2.782 1.00 0.00 H new ATOM 1462 N VAL A 100 2.662 1.484 -1.288 1.00 0.00 N ATOM 1463 CA VAL A 100 1.787 0.397 -0.864 1.00 0.00 C ATOM 1464 C VAL A 100 0.774 0.052 -1.950 1.00 0.00 C ATOM 1465 O VAL A 100 0.590 0.806 -2.906 1.00 0.00 O ATOM 1466 CB VAL A 100 1.034 0.756 0.431 1.00 0.00 C ATOM 1467 CG1 VAL A 100 2.013 1.146 1.527 1.00 0.00 C ATOM 1468 CG2 VAL A 100 0.035 1.874 0.173 1.00 0.00 C ATOM 0 H VAL A 100 2.213 2.399 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 100 2.423 -0.468 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 100 0.483 -0.122 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.463 1.396 2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.685 0.312 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.594 2.010 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.488 2.115 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.563 2.758 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.686 1.551 -0.578 1.00 0.00 H new ATOM 1478 N LYS A 101 0.117 -1.092 -1.796 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.880 -1.539 -2.761 1.00 0.00 C ATOM 1480 C LYS A 101 -2.161 -1.976 -2.058 1.00 0.00 C ATOM 1481 O LYS A 101 -2.137 -2.852 -1.193 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.327 -2.693 -3.600 1.00 0.00 C ATOM 1483 CG LYS A 101 0.161 -3.868 -2.772 1.00 0.00 C ATOM 1484 CD LYS A 101 0.891 -4.889 -3.628 1.00 0.00 C ATOM 1485 CE LYS A 101 0.980 -6.239 -2.931 1.00 0.00 C ATOM 1486 NZ LYS A 101 1.926 -7.158 -3.623 1.00 0.00 N ATOM 0 H LYS A 101 0.257 -1.728 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.115 -0.701 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.103 -3.038 -4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.496 -2.324 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.826 -3.509 -1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.687 -4.344 -2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.374 -5.003 -4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.894 -4.527 -3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.302 -6.095 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.009 -6.695 -2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.959 -8.067 -3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.605 -7.316 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.876 -6.734 -3.635 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.277 -1.362 -2.436 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.568 -1.689 -1.841 1.00 0.00 C ATOM 1502 C ARG A 102 -5.392 -2.567 -2.779 1.00 0.00 C ATOM 1503 O ARG A 102 -5.593 -2.247 -3.950 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.340 -0.410 -1.511 1.00 0.00 C ATOM 1505 CG ARG A 102 -5.100 0.099 -0.100 1.00 0.00 C ATOM 1506 CD ARG A 102 -3.768 0.824 0.012 1.00 0.00 C ATOM 1507 NE ARG A 102 -3.879 2.234 -0.352 1.00 0.00 N ATOM 1508 CZ ARG A 102 -4.629 3.107 0.311 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.331 2.716 1.366 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -4.679 4.373 -0.081 1.00 0.00 N ATOM 0 H ARG A 102 -3.314 -0.636 -3.151 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.386 -2.243 -0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.059 0.367 -2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.406 -0.594 -1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.907 0.773 0.187 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.120 -0.738 0.598 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.395 0.742 1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.036 0.339 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.352 2.566 -1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.296 1.743 1.670 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.906 3.388 1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.141 4.677 -0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.255 5.042 0.429 1.00 0.00 H new ATOM 1524 N PRO A 103 -5.880 -3.700 -2.252 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.690 -4.647 -3.025 1.00 0.00 C ATOM 1526 C PRO A 103 -8.070 -4.091 -3.358 1.00 0.00 C ATOM 1527 O PRO A 103 -8.866 -3.802 -2.464 1.00 0.00 O ATOM 1528 CB PRO A 103 -6.810 -5.854 -2.092 1.00 0.00 C ATOM 1529 CG PRO A 103 -6.639 -5.293 -0.722 1.00 0.00 C ATOM 1530 CD PRO A 103 -5.679 -4.144 -0.863 1.00 0.00 C ATOM 0 HA PRO A 103 -6.237 -4.880 -3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -7.778 -6.344 -2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.048 -6.601 -2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.593 -4.957 -0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.249 -6.046 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.898 -3.348 -0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.650 -4.456 -0.686 1.00 0.00 H new