USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 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 82 HIS :FLIP no HD1:sc= -0.277 F(o=-1.1!,f=-0.28) USER MOD Set 1.2: A 83 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 75 THR OG1 : rot -140:sc= 0 USER MOD Set 2.2: A 88 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.74) USER MOD Set 3.1: A 73 ASN : amide:sc= 0.848 K(o=-0.23,f=-7.7!) USER MOD Set 3.2: A 92 SER OG : rot -90:sc= -1.07 USER MOD Single : A 15 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.2!) 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= 0.0034 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= 0.166 (180deg=0.127) USER MOD Single : A 24 SER OG : rot -67:sc= 0.66 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= -0.0247 K(o=-0.025,f=-1.4) USER MOD Single : A 40 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-4.8!) USER MOD Single : A 43 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.8!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -48:sc= 0.218 USER MOD Single : A 64 GLN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0447 F(o=-0.87,f=-0.045) USER MOD Single : A 71 MET CE :methyl -139:sc= -0.627 (180deg=-5.49!) USER MOD Single : A 77 MET CE :methyl -171:sc= -3.04 (180deg=-3.45) USER MOD Single : A 87 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.471) 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 -8.501 -5.935 -7.758 1.00 0.00 N ATOM 130 CA ILE A 12 -7.576 -5.041 -8.443 1.00 0.00 C ATOM 131 C ILE A 12 -6.649 -4.346 -7.452 1.00 0.00 C ATOM 132 O ILE A 12 -7.024 -3.355 -6.825 1.00 0.00 O ATOM 133 CB ILE A 12 -8.325 -3.975 -9.263 1.00 0.00 C ATOM 134 CG1 ILE A 12 -9.495 -4.610 -10.017 1.00 0.00 C ATOM 135 CG2 ILE A 12 -7.375 -3.287 -10.231 1.00 0.00 C ATOM 136 CD1 ILE A 12 -10.386 -3.602 -10.709 1.00 0.00 C ATOM 0 HA ILE A 12 -6.985 -5.657 -9.120 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.722 -3.224 -8.579 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.104 -5.306 -10.759 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.094 -5.193 -9.317 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.920 -2.536 -10.803 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.572 -2.806 -9.673 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.951 -4.025 -10.912 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.194 -4.123 -11.223 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.806 -2.920 -9.970 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.801 -3.036 -11.433 1.00 0.00 H new ATOM 148 N TRP A 13 -5.436 -4.870 -7.316 1.00 0.00 N ATOM 149 CA TRP A 13 -4.454 -4.298 -6.403 1.00 0.00 C ATOM 150 C TRP A 13 -3.808 -3.056 -7.006 1.00 0.00 C ATOM 151 O TRP A 13 -2.961 -3.155 -7.893 1.00 0.00 O ATOM 152 CB TRP A 13 -3.380 -5.332 -6.063 1.00 0.00 C ATOM 153 CG TRP A 13 -3.911 -6.514 -5.309 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.578 -7.586 -5.830 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.820 -6.742 -3.899 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.908 -8.466 -4.828 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.453 -7.973 -3.634 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.263 -6.029 -2.834 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.545 -8.501 -2.349 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.356 -6.554 -1.559 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.992 -7.781 -1.325 1.00 0.00 C ATOM 0 H TRP A 13 -5.109 -5.690 -7.827 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.972 -4.008 -5.489 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.914 -5.678 -6.986 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.599 -4.854 -5.472 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.812 -7.722 -6.876 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.411 -9.345 -4.953 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.768 -5.084 -3.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -5.036 -9.446 -2.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.931 -6.010 -0.729 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.047 -8.166 -0.317 1.00 0.00 H new ATOM 172 N GLU A 14 -4.212 -1.887 -6.519 1.00 0.00 N ATOM 173 CA GLU A 14 -3.672 -0.626 -7.012 1.00 0.00 C ATOM 174 C GLU A 14 -2.587 -0.096 -6.078 1.00 0.00 C ATOM 175 O GLU A 14 -2.707 -0.188 -4.856 1.00 0.00 O ATOM 176 CB GLU A 14 -4.788 0.411 -7.156 1.00 0.00 C ATOM 177 CG GLU A 14 -5.976 -0.081 -7.964 1.00 0.00 C ATOM 178 CD GLU A 14 -6.729 1.047 -8.642 1.00 0.00 C ATOM 179 OE1 GLU A 14 -6.109 2.099 -8.903 1.00 0.00 O ATOM 180 OE2 GLU A 14 -7.936 0.878 -8.911 1.00 0.00 O ATOM 0 H GLU A 14 -4.912 -1.787 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.227 -0.809 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.131 0.704 -6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.383 1.305 -7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.630 -0.787 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.656 -0.624 -7.308 1.00 0.00 H new ATOM 187 N GLN A 15 -1.530 0.458 -6.662 1.00 0.00 N ATOM 188 CA GLN A 15 -0.424 1.000 -5.883 1.00 0.00 C ATOM 189 C GLN A 15 -0.618 2.491 -5.627 1.00 0.00 C ATOM 190 O GLN A 15 -0.906 3.257 -6.548 1.00 0.00 O ATOM 191 CB GLN A 15 0.903 0.764 -6.606 1.00 0.00 C ATOM 192 CG GLN A 15 1.591 -0.531 -6.206 1.00 0.00 C ATOM 193 CD GLN A 15 2.533 -1.046 -7.277 1.00 0.00 C ATOM 194 OE1 GLN A 15 2.485 -0.607 -8.426 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.397 -1.984 -6.905 1.00 0.00 N ATOM 0 H GLN A 15 -1.416 0.543 -7.672 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.403 0.484 -4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.725 0.754 -7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.572 1.600 -6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.149 -0.372 -5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.836 -1.289 -5.996 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.402 -2.319 -5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.055 -2.369 -7.583 1.00 0.00 H new ATOM 204 N TYR A 16 -0.460 2.897 -4.372 1.00 0.00 N ATOM 205 CA TYR A 16 -0.621 4.296 -3.995 1.00 0.00 C ATOM 206 C TYR A 16 0.694 4.877 -3.484 1.00 0.00 C ATOM 207 O TYR A 16 1.212 4.459 -2.448 1.00 0.00 O ATOM 208 CB TYR A 16 -1.703 4.436 -2.924 1.00 0.00 C ATOM 209 CG TYR A 16 -3.075 4.002 -3.388 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.452 2.665 -3.349 1.00 0.00 C ATOM 211 CD2 TYR A 16 -3.994 4.927 -3.867 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.703 2.262 -3.773 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.248 4.534 -4.292 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.598 3.201 -4.243 1.00 0.00 C ATOM 215 OH TYR A 16 -6.846 2.806 -4.667 1.00 0.00 O ATOM 0 H TYR A 16 -0.221 2.277 -3.598 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.923 4.852 -4.882 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.419 3.844 -2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.750 5.476 -2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.754 1.928 -2.980 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.723 5.972 -3.908 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.979 1.218 -3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.951 5.267 -4.661 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.353 3.589 -4.966 1.00 0.00 H new ATOM 225 N THR A 17 1.231 5.846 -4.220 1.00 0.00 N ATOM 226 CA THR A 17 2.485 6.486 -3.844 1.00 0.00 C ATOM 227 C THR A 17 2.236 7.832 -3.172 1.00 0.00 C ATOM 228 O THR A 17 2.008 8.839 -3.842 1.00 0.00 O ATOM 229 CB THR A 17 3.397 6.697 -5.067 1.00 0.00 C ATOM 230 OG1 THR A 17 3.703 5.436 -5.673 1.00 0.00 O ATOM 231 CG2 THR A 17 4.686 7.398 -4.666 1.00 0.00 C ATOM 0 H THR A 17 0.816 6.204 -5.080 1.00 0.00 H new ATOM 0 HA THR A 17 2.982 5.818 -3.140 1.00 0.00 H new ATOM 0 HB THR A 17 2.868 7.325 -5.783 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.282 5.579 -6.451 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.314 7.536 -5.546 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.452 8.370 -4.231 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.217 6.791 -3.933 1.00 0.00 H new ATOM 239 N VAL A 18 2.282 7.842 -1.843 1.00 0.00 N ATOM 240 CA VAL A 18 2.063 9.066 -1.081 1.00 0.00 C ATOM 241 C VAL A 18 3.239 9.352 -0.153 1.00 0.00 C ATOM 242 O VAL A 18 3.978 8.445 0.231 1.00 0.00 O ATOM 243 CB VAL A 18 0.772 8.982 -0.245 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.442 9.292 -1.106 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.643 7.611 0.400 1.00 0.00 C ATOM 0 H VAL A 18 2.469 7.017 -1.273 1.00 0.00 H new ATOM 0 HA VAL A 18 1.968 9.877 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 18 0.824 9.727 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.345 9.228 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.351 10.298 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.502 8.572 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.275 7.570 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.613 6.846 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.498 7.434 1.052 1.00 0.00 H new ATOM 255 N THR A 19 3.407 10.622 0.205 1.00 0.00 N ATOM 256 CA THR A 19 4.493 11.030 1.087 1.00 0.00 C ATOM 257 C THR A 19 3.966 11.416 2.465 1.00 0.00 C ATOM 258 O THR A 19 2.962 12.119 2.582 1.00 0.00 O ATOM 259 CB THR A 19 5.279 12.216 0.499 1.00 0.00 C ATOM 260 OG1 THR A 19 4.433 12.985 -0.364 1.00 0.00 O ATOM 261 CG2 THR A 19 6.494 11.729 -0.276 1.00 0.00 C ATOM 0 H THR A 19 2.804 11.385 -0.103 1.00 0.00 H new ATOM 0 HA THR A 19 5.161 10.174 1.183 1.00 0.00 H new ATOM 0 HB THR A 19 5.621 12.841 1.324 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.940 13.738 -0.733 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.034 12.585 -0.682 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.150 11.169 0.390 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.170 11.084 -1.093 1.00 0.00 H new ATOM 269 N LEU A 20 4.651 10.954 3.505 1.00 0.00 N ATOM 270 CA LEU A 20 4.252 11.253 4.877 1.00 0.00 C ATOM 271 C LEU A 20 5.284 12.142 5.562 1.00 0.00 C ATOM 272 O LEU A 20 6.489 11.956 5.391 1.00 0.00 O ATOM 273 CB LEU A 20 4.071 9.957 5.670 1.00 0.00 C ATOM 274 CG LEU A 20 3.272 8.852 4.978 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.739 7.483 5.445 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.783 9.028 5.239 1.00 0.00 C ATOM 0 H LEU A 20 5.485 10.372 3.425 1.00 0.00 H new ATOM 0 HA LEU A 20 3.303 11.788 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.058 9.564 5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.579 10.197 6.613 1.00 0.00 H new ATOM 0 HG LEU A 20 3.443 8.924 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.159 6.709 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.795 7.358 5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.598 7.399 6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.230 8.233 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.594 8.983 6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.458 9.994 4.854 1.00 0.00 H new ATOM 288 N GLN A 21 4.803 13.107 6.339 1.00 0.00 N ATOM 289 CA GLN A 21 5.685 14.024 7.052 1.00 0.00 C ATOM 290 C GLN A 21 5.937 13.541 8.476 1.00 0.00 C ATOM 291 O GLN A 21 5.022 13.076 9.156 1.00 0.00 O ATOM 292 CB GLN A 21 5.081 15.430 7.077 1.00 0.00 C ATOM 293 CG GLN A 21 4.702 15.954 5.701 1.00 0.00 C ATOM 294 CD GLN A 21 4.274 17.408 5.728 1.00 0.00 C ATOM 295 OE1 GLN A 21 5.049 18.288 6.104 1.00 0.00 O ATOM 296 NE2 GLN A 21 3.035 17.668 5.329 1.00 0.00 N ATOM 0 H GLN A 21 3.808 13.274 6.491 1.00 0.00 H new ATOM 0 HA GLN A 21 6.638 14.055 6.525 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.195 15.424 7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.795 16.115 7.534 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.551 15.842 5.027 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.891 15.348 5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.427 16.908 5.025 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.691 18.628 5.326 1.00 0.00 H new ATOM 305 N LYS A 22 7.184 13.653 8.921 1.00 0.00 N ATOM 306 CA LYS A 22 7.558 13.229 10.265 1.00 0.00 C ATOM 307 C LYS A 22 6.993 14.182 11.314 1.00 0.00 C ATOM 308 O LYS A 22 7.658 15.132 11.725 1.00 0.00 O ATOM 309 CB LYS A 22 9.081 13.157 10.394 1.00 0.00 C ATOM 310 CG LYS A 22 9.560 12.073 11.344 1.00 0.00 C ATOM 311 CD LYS A 22 10.965 11.609 10.998 1.00 0.00 C ATOM 312 CE LYS A 22 11.165 10.139 11.332 1.00 0.00 C ATOM 313 NZ LYS A 22 12.577 9.841 11.701 1.00 0.00 N ATOM 0 H LYS A 22 7.953 14.034 8.370 1.00 0.00 H new ATOM 0 HA LYS A 22 7.137 12.238 10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.513 12.982 9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.454 14.121 10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.542 12.450 12.367 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.876 11.225 11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.151 11.770 9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.692 12.209 11.544 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.508 9.861 12.156 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.877 9.530 10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.634 8.888 12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.175 9.886 10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.909 10.540 12.396 1.00 0.00 H new ATOM 327 N ASP A 23 5.763 13.920 11.743 1.00 0.00 N ATOM 328 CA ASP A 23 5.110 14.753 12.746 1.00 0.00 C ATOM 329 C ASP A 23 6.018 14.963 13.953 1.00 0.00 C ATOM 330 O ASP A 23 7.161 14.505 13.970 1.00 0.00 O ATOM 331 CB ASP A 23 3.792 14.116 13.189 1.00 0.00 C ATOM 332 CG ASP A 23 2.766 15.146 13.619 1.00 0.00 C ATOM 333 OD1 ASP A 23 2.079 15.702 12.737 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.652 15.398 14.837 1.00 0.00 O ATOM 0 H ASP A 23 5.198 13.138 11.412 1.00 0.00 H new ATOM 0 HA ASP A 23 4.903 15.724 12.297 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.385 13.523 12.370 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.983 13.431 14.015 1.00 0.00 H new ATOM 339 N SER A 24 5.503 15.660 14.961 1.00 0.00 N ATOM 340 CA SER A 24 6.270 15.935 16.171 1.00 0.00 C ATOM 341 C SER A 24 7.045 14.699 16.616 1.00 0.00 C ATOM 342 O SER A 24 8.256 14.605 16.415 1.00 0.00 O ATOM 343 CB SER A 24 5.341 16.400 17.294 1.00 0.00 C ATOM 344 OG SER A 24 4.240 15.520 17.442 1.00 0.00 O ATOM 0 H SER A 24 4.558 16.045 14.964 1.00 0.00 H new ATOM 0 HA SER A 24 6.983 16.728 15.947 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.896 16.454 18.231 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.980 17.406 17.079 1.00 0.00 H new ATOM 0 HG SER A 24 3.671 15.571 16.645 1.00 0.00 H new ATOM 350 N LYS A 25 6.338 13.751 17.222 1.00 0.00 N ATOM 351 CA LYS A 25 6.957 12.519 17.695 1.00 0.00 C ATOM 352 C LYS A 25 6.475 11.321 16.883 1.00 0.00 C ATOM 353 O LYS A 25 7.275 10.502 16.432 1.00 0.00 O ATOM 354 CB LYS A 25 6.644 12.303 19.178 1.00 0.00 C ATOM 355 CG LYS A 25 7.401 13.241 20.102 1.00 0.00 C ATOM 356 CD LYS A 25 8.868 12.858 20.205 1.00 0.00 C ATOM 357 CE LYS A 25 9.578 13.656 21.288 1.00 0.00 C ATOM 358 NZ LYS A 25 10.977 13.189 21.494 1.00 0.00 N ATOM 0 H LYS A 25 5.335 13.813 17.397 1.00 0.00 H new ATOM 0 HA LYS A 25 8.036 12.612 17.567 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.574 12.434 19.338 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.882 11.273 19.445 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.316 14.263 19.734 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.948 13.221 21.093 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.953 11.793 20.422 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.358 13.028 19.246 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.584 14.712 21.016 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.025 13.571 22.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.427 13.758 22.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.971 12.189 21.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.512 13.294 20.608 1.00 0.00 H new ATOM 372 N ARG A 26 5.162 11.226 16.701 1.00 0.00 N ATOM 373 CA ARG A 26 4.573 10.128 15.943 1.00 0.00 C ATOM 374 C ARG A 26 5.136 10.082 14.526 1.00 0.00 C ATOM 375 O ARG A 26 4.926 9.116 13.794 1.00 0.00 O ATOM 376 CB ARG A 26 3.051 10.272 15.894 1.00 0.00 C ATOM 377 CG ARG A 26 2.367 9.966 17.217 1.00 0.00 C ATOM 378 CD ARG A 26 0.950 9.458 17.007 1.00 0.00 C ATOM 379 NE ARG A 26 0.493 8.633 18.122 1.00 0.00 N ATOM 380 CZ ARG A 26 -0.024 9.129 19.240 1.00 0.00 C ATOM 381 NH1 ARG A 26 -0.151 10.440 19.391 1.00 0.00 N ATOM 382 NH2 ARG A 26 -0.417 8.314 20.210 1.00 0.00 N ATOM 0 H ARG A 26 4.486 11.896 17.068 1.00 0.00 H new ATOM 0 HA ARG A 26 4.827 9.195 16.447 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.800 11.289 15.592 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.656 9.605 15.128 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.945 9.220 17.763 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.345 10.865 17.833 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.276 10.305 16.883 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.906 8.878 16.085 1.00 0.00 H new ATOM 0 HE ARG A 26 0.575 7.620 18.037 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.149 11.070 18.647 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.549 10.818 20.251 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.322 7.305 20.098 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.814 8.697 21.068 1.00 0.00 H new ATOM 396 N GLY A 27 5.853 11.136 14.145 1.00 0.00 N ATOM 397 CA GLY A 27 6.435 11.196 12.817 1.00 0.00 C ATOM 398 C GLY A 27 5.413 10.952 11.724 1.00 0.00 C ATOM 399 O GLY A 27 4.378 11.617 11.672 1.00 0.00 O ATOM 0 H GLY A 27 6.041 11.949 14.732 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.894 12.173 12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.230 10.455 12.738 1.00 0.00 H new ATOM 403 N PHE A 28 5.703 9.996 10.848 1.00 0.00 N ATOM 404 CA PHE A 28 4.802 9.667 9.749 1.00 0.00 C ATOM 405 C PHE A 28 3.490 9.092 10.275 1.00 0.00 C ATOM 406 O PHE A 28 2.562 8.833 9.510 1.00 0.00 O ATOM 407 CB PHE A 28 5.465 8.668 8.799 1.00 0.00 C ATOM 408 CG PHE A 28 6.868 9.045 8.417 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.111 10.171 7.646 1.00 0.00 C ATOM 410 CD2 PHE A 28 7.943 8.275 8.829 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.401 10.519 7.293 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.235 8.618 8.479 1.00 0.00 C ATOM 413 CZ PHE A 28 9.465 9.743 7.710 1.00 0.00 C ATOM 0 H PHE A 28 6.555 9.435 10.877 1.00 0.00 H new ATOM 0 HA PHE A 28 4.584 10.585 9.204 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.477 7.685 9.269 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.861 8.582 7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.284 10.783 7.318 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.769 7.396 9.431 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.577 11.398 6.691 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.064 8.008 8.806 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.474 10.015 7.436 1.00 0.00 H new ATOM 423 N GLY A 29 3.421 8.895 11.588 1.00 0.00 N ATOM 424 CA GLY A 29 2.220 8.351 12.195 1.00 0.00 C ATOM 425 C GLY A 29 1.794 7.041 11.563 1.00 0.00 C ATOM 426 O GLY A 29 0.631 6.871 11.196 1.00 0.00 O ATOM 0 H GLY A 29 4.175 9.102 12.242 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.392 8.198 13.260 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.410 9.075 12.104 1.00 0.00 H new ATOM 430 N ILE A 30 2.736 6.113 11.435 1.00 0.00 N ATOM 431 CA ILE A 30 2.452 4.812 10.842 1.00 0.00 C ATOM 432 C ILE A 30 3.241 3.708 11.536 1.00 0.00 C ATOM 433 O ILE A 30 4.380 3.914 11.956 1.00 0.00 O ATOM 434 CB ILE A 30 2.780 4.795 9.338 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.087 5.544 9.070 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.639 5.407 8.540 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.851 5.019 7.875 1.00 0.00 C ATOM 0 H ILE A 30 3.703 6.238 11.734 1.00 0.00 H new ATOM 0 HA ILE A 30 1.385 4.631 10.974 1.00 0.00 H new ATOM 0 HB ILE A 30 2.905 3.760 9.020 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.866 6.600 8.914 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.721 5.479 9.954 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.886 5.388 7.479 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.727 4.834 8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.485 6.438 8.858 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.766 5.597 7.745 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.104 3.971 8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.235 5.110 6.981 1.00 0.00 H new ATOM 449 N ALA A 31 2.629 2.534 11.653 1.00 0.00 N ATOM 450 CA ALA A 31 3.276 1.395 12.292 1.00 0.00 C ATOM 451 C ALA A 31 3.147 0.139 11.437 1.00 0.00 C ATOM 452 O ALA A 31 2.080 -0.148 10.895 1.00 0.00 O ATOM 453 CB ALA A 31 2.683 1.158 13.673 1.00 0.00 C ATOM 0 H ALA A 31 1.686 2.347 11.313 1.00 0.00 H new ATOM 0 HA ALA A 31 4.337 1.624 12.398 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.175 0.304 14.139 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.832 2.044 14.290 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.616 0.955 13.581 1.00 0.00 H new ATOM 459 N VAL A 32 4.242 -0.606 11.319 1.00 0.00 N ATOM 460 CA VAL A 32 4.251 -1.832 10.530 1.00 0.00 C ATOM 461 C VAL A 32 4.198 -3.063 11.427 1.00 0.00 C ATOM 462 O VAL A 32 4.678 -3.040 12.560 1.00 0.00 O ATOM 463 CB VAL A 32 5.503 -1.914 9.636 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.432 -0.882 8.521 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.763 -1.728 10.467 1.00 0.00 C ATOM 0 H VAL A 32 5.134 -0.382 11.760 1.00 0.00 H new ATOM 0 HA VAL A 32 3.363 -1.809 9.898 1.00 0.00 H new ATOM 0 HB VAL A 32 5.539 -2.903 9.180 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.325 -0.955 7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.549 -1.067 7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.371 0.117 8.953 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.638 -1.789 9.820 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.738 -0.752 10.953 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.817 -2.509 11.225 1.00 0.00 H new ATOM 475 N SER A 33 3.611 -4.139 10.911 1.00 0.00 N ATOM 476 CA SER A 33 3.492 -5.381 11.667 1.00 0.00 C ATOM 477 C SER A 33 3.728 -6.589 10.766 1.00 0.00 C ATOM 478 O SER A 33 3.507 -6.529 9.557 1.00 0.00 O ATOM 479 CB SER A 33 2.111 -5.476 12.317 1.00 0.00 C ATOM 480 OG SER A 33 2.165 -6.222 13.521 1.00 0.00 O ATOM 0 H SER A 33 3.211 -4.176 9.973 1.00 0.00 H new ATOM 0 HA SER A 33 4.253 -5.378 12.447 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.732 -4.475 12.522 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.411 -5.946 11.625 1.00 0.00 H new ATOM 0 HG SER A 33 1.270 -6.267 13.918 1.00 0.00 H new ATOM 486 N GLY A 34 4.179 -7.687 11.365 1.00 0.00 N ATOM 487 CA GLY A 34 4.437 -8.895 10.603 1.00 0.00 C ATOM 488 C GLY A 34 5.914 -9.106 10.335 1.00 0.00 C ATOM 489 O GLY A 34 6.763 -8.642 11.095 1.00 0.00 O ATOM 0 H GLY A 34 4.370 -7.762 12.364 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.043 -9.754 11.145 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.902 -8.844 9.655 1.00 0.00 H new ATOM 493 N GLY A 35 6.222 -9.810 9.249 1.00 0.00 N ATOM 494 CA GLY A 35 7.607 -10.071 8.903 1.00 0.00 C ATOM 495 C GLY A 35 7.788 -11.401 8.199 1.00 0.00 C ATOM 496 O GLY A 35 6.952 -12.296 8.325 1.00 0.00 O ATOM 0 H GLY A 35 5.537 -10.204 8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.975 -9.271 8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.213 -10.057 9.809 1.00 0.00 H new ATOM 500 N ARG A 36 8.881 -11.531 7.454 1.00 0.00 N ATOM 501 CA ARG A 36 9.167 -12.760 6.724 1.00 0.00 C ATOM 502 C ARG A 36 9.430 -13.915 7.687 1.00 0.00 C ATOM 503 O ARG A 36 9.373 -15.083 7.302 1.00 0.00 O ATOM 504 CB ARG A 36 10.373 -12.564 5.805 1.00 0.00 C ATOM 505 CG ARG A 36 11.699 -12.495 6.545 1.00 0.00 C ATOM 506 CD ARG A 36 12.328 -13.871 6.690 1.00 0.00 C ATOM 507 NE ARG A 36 13.734 -13.792 7.080 1.00 0.00 N ATOM 508 CZ ARG A 36 14.692 -13.327 6.286 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.397 -12.901 5.065 1.00 0.00 N ATOM 510 NH2 ARG A 36 15.947 -13.286 6.713 1.00 0.00 N ATOM 0 H ARG A 36 9.583 -10.800 7.340 1.00 0.00 H new ATOM 0 HA ARG A 36 8.294 -13.005 6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.409 -13.384 5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.238 -11.646 5.233 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.382 -11.836 6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.544 -12.059 7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.777 -14.445 7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.243 -14.410 5.746 1.00 0.00 H new ATOM 0 HE ARG A 36 13.994 -14.111 8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.433 -12.930 4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.134 -12.544 4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.177 -13.612 7.652 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.682 -12.929 6.103 1.00 0.00 H new ATOM 524 N ASP A 37 9.719 -13.580 8.939 1.00 0.00 N ATOM 525 CA ASP A 37 9.991 -14.588 9.957 1.00 0.00 C ATOM 526 C ASP A 37 8.862 -14.644 10.982 1.00 0.00 C ATOM 527 O ASP A 37 8.662 -15.661 11.644 1.00 0.00 O ATOM 528 CB ASP A 37 11.318 -14.291 10.658 1.00 0.00 C ATOM 529 CG ASP A 37 11.998 -15.547 11.166 1.00 0.00 C ATOM 530 OD1 ASP A 37 11.293 -16.431 11.698 1.00 0.00 O ATOM 531 OD2 ASP A 37 13.235 -15.648 11.031 1.00 0.00 O ATOM 0 H ASP A 37 9.771 -12.618 9.274 1.00 0.00 H new ATOM 0 HA ASP A 37 10.058 -15.558 9.464 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.984 -13.775 9.966 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.141 -13.614 11.494 1.00 0.00 H new ATOM 536 N ASN A 38 8.128 -13.543 11.107 1.00 0.00 N ATOM 537 CA ASN A 38 7.020 -13.466 12.052 1.00 0.00 C ATOM 538 C ASN A 38 5.791 -12.841 11.400 1.00 0.00 C ATOM 539 O ASN A 38 5.293 -11.799 11.827 1.00 0.00 O ATOM 540 CB ASN A 38 7.427 -12.654 13.283 1.00 0.00 C ATOM 541 CG ASN A 38 6.545 -12.940 14.482 1.00 0.00 C ATOM 542 OD1 ASN A 38 5.608 -13.735 14.403 1.00 0.00 O ATOM 543 ND2 ASN A 38 6.841 -12.291 15.603 1.00 0.00 N ATOM 0 H ASN A 38 8.281 -12.692 10.566 1.00 0.00 H new ATOM 0 HA ASN A 38 6.769 -14.480 12.361 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.463 -12.878 13.536 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.379 -11.591 13.046 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.283 -12.443 16.443 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.627 -11.641 15.624 1.00 0.00 H new ATOM 550 N PRO A 39 5.288 -13.491 10.340 1.00 0.00 N ATOM 551 CA PRO A 39 4.110 -13.018 9.606 1.00 0.00 C ATOM 552 C PRO A 39 2.828 -13.151 10.421 1.00 0.00 C ATOM 553 O PRO A 39 2.056 -14.092 10.232 1.00 0.00 O ATOM 554 CB PRO A 39 4.063 -13.934 8.381 1.00 0.00 C ATOM 555 CG PRO A 39 4.764 -15.177 8.810 1.00 0.00 C ATOM 556 CD PRO A 39 5.830 -14.739 9.776 1.00 0.00 C ATOM 0 HA PRO A 39 4.181 -11.959 9.360 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.036 -14.142 8.082 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.558 -13.476 7.525 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.071 -15.873 9.283 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.200 -15.694 7.955 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.003 -15.487 10.549 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.783 -14.572 9.274 1.00 0.00 H new ATOM 564 N HIS A 40 2.606 -12.204 11.326 1.00 0.00 N ATOM 565 CA HIS A 40 1.415 -12.216 12.169 1.00 0.00 C ATOM 566 C HIS A 40 0.173 -12.551 11.349 1.00 0.00 C ATOM 567 O HIS A 40 -0.696 -13.300 11.797 1.00 0.00 O ATOM 568 CB HIS A 40 1.237 -10.862 12.856 1.00 0.00 C ATOM 569 CG HIS A 40 -0.094 -10.698 13.522 1.00 0.00 C ATOM 570 ND1 HIS A 40 -1.292 -10.821 12.850 1.00 0.00 N ATOM 571 CD2 HIS A 40 -0.413 -10.422 14.808 1.00 0.00 C ATOM 572 CE1 HIS A 40 -2.290 -10.626 13.693 1.00 0.00 C ATOM 573 NE2 HIS A 40 -1.783 -10.382 14.889 1.00 0.00 N ATOM 0 H HIS A 40 3.234 -11.419 11.495 1.00 0.00 H new ATOM 0 HA HIS A 40 1.546 -12.986 12.929 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.024 -10.735 13.599 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.365 -10.070 12.118 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.281 -10.263 15.620 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.341 -10.660 13.447 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.322 -10.195 15.735 1.00 0.00 H new ATOM 582 N PHE A 41 0.094 -11.990 10.147 1.00 0.00 N ATOM 583 CA PHE A 41 -1.043 -12.227 9.265 1.00 0.00 C ATOM 584 C PHE A 41 -1.577 -13.646 9.437 1.00 0.00 C ATOM 585 O PHE A 41 -0.978 -14.607 8.955 1.00 0.00 O ATOM 586 CB PHE A 41 -0.642 -11.993 7.807 1.00 0.00 C ATOM 587 CG PHE A 41 -1.772 -11.505 6.946 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.700 -12.393 6.428 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.905 -10.157 6.655 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.741 -11.947 5.636 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.944 -9.704 5.864 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.863 -10.601 5.352 1.00 0.00 C ATOM 0 H PHE A 41 0.804 -11.368 9.761 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.833 -11.525 9.534 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.170 -11.266 7.774 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.254 -12.923 7.391 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.609 -13.447 6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.189 -9.452 7.051 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.458 -12.650 5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.038 -8.650 5.646 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.674 -10.250 4.731 1.00 0.00 H new ATOM 602 N GLU A 42 -2.707 -13.768 10.126 1.00 0.00 N ATOM 603 CA GLU A 42 -3.320 -15.070 10.362 1.00 0.00 C ATOM 604 C GLU A 42 -3.091 -16.002 9.177 1.00 0.00 C ATOM 605 O GLU A 42 -2.753 -17.172 9.350 1.00 0.00 O ATOM 606 CB GLU A 42 -4.821 -14.912 10.618 1.00 0.00 C ATOM 607 CG GLU A 42 -5.531 -14.069 9.573 1.00 0.00 C ATOM 608 CD GLU A 42 -7.035 -14.048 9.764 1.00 0.00 C ATOM 609 OE1 GLU A 42 -7.608 -15.114 10.074 1.00 0.00 O ATOM 610 OE2 GLU A 42 -7.640 -12.967 9.604 1.00 0.00 O ATOM 0 H GLU A 42 -3.216 -12.982 10.530 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.852 -15.509 11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.281 -15.899 10.650 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.968 -14.460 11.599 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.149 -13.049 9.614 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.300 -14.456 8.581 1.00 0.00 H new ATOM 617 N ASN A 43 -3.278 -15.475 7.971 1.00 0.00 N ATOM 618 CA ASN A 43 -3.093 -16.260 6.756 1.00 0.00 C ATOM 619 C ASN A 43 -1.660 -16.773 6.653 1.00 0.00 C ATOM 620 O ASN A 43 -1.428 -17.970 6.493 1.00 0.00 O ATOM 621 CB ASN A 43 -3.436 -15.419 5.524 1.00 0.00 C ATOM 622 CG ASN A 43 -3.963 -16.261 4.378 1.00 0.00 C ATOM 623 OD1 ASN A 43 -4.550 -17.322 4.592 1.00 0.00 O ATOM 624 ND2 ASN A 43 -3.756 -15.791 3.154 1.00 0.00 N ATOM 0 H ASN A 43 -3.558 -14.507 7.809 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.764 -17.118 6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.181 -14.671 5.794 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.547 -14.880 5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.088 -16.314 2.344 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.265 -14.907 3.024 1.00 0.00 H new ATOM 631 N GLY A 44 -0.701 -15.857 6.746 1.00 0.00 N ATOM 632 CA GLY A 44 0.698 -16.235 6.662 1.00 0.00 C ATOM 633 C GLY A 44 1.459 -15.417 5.638 1.00 0.00 C ATOM 634 O GLY A 44 2.515 -15.834 5.163 1.00 0.00 O ATOM 0 H GLY A 44 -0.868 -14.859 6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.164 -16.112 7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.771 -17.292 6.405 1.00 0.00 H new ATOM 638 N GLU A 45 0.921 -14.251 5.297 1.00 0.00 N ATOM 639 CA GLU A 45 1.557 -13.374 4.320 1.00 0.00 C ATOM 640 C GLU A 45 2.817 -12.737 4.900 1.00 0.00 C ATOM 641 O GLU A 45 2.799 -12.189 6.002 1.00 0.00 O ATOM 642 CB GLU A 45 0.583 -12.284 3.869 1.00 0.00 C ATOM 643 CG GLU A 45 1.017 -11.564 2.604 1.00 0.00 C ATOM 644 CD GLU A 45 0.563 -12.274 1.343 1.00 0.00 C ATOM 645 OE1 GLU A 45 0.875 -13.474 1.192 1.00 0.00 O ATOM 646 OE2 GLU A 45 -0.104 -11.629 0.507 1.00 0.00 O ATOM 0 H GLU A 45 0.047 -13.891 5.682 1.00 0.00 H new ATOM 0 HA GLU A 45 1.839 -13.978 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.398 -12.731 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.470 -11.555 4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.615 -10.551 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.103 -11.475 2.595 1.00 0.00 H new ATOM 653 N THR A 46 3.911 -12.813 4.148 1.00 0.00 N ATOM 654 CA THR A 46 5.180 -12.246 4.586 1.00 0.00 C ATOM 655 C THR A 46 5.419 -10.879 3.956 1.00 0.00 C ATOM 656 O THR A 46 6.510 -10.595 3.462 1.00 0.00 O ATOM 657 CB THR A 46 6.360 -13.173 4.237 1.00 0.00 C ATOM 658 OG1 THR A 46 6.316 -13.519 2.848 1.00 0.00 O ATOM 659 CG2 THR A 46 6.323 -14.438 5.081 1.00 0.00 C ATOM 0 H THR A 46 3.943 -13.262 3.233 1.00 0.00 H new ATOM 0 HA THR A 46 5.120 -12.138 5.669 1.00 0.00 H new ATOM 0 HB THR A 46 7.287 -12.641 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.070 -14.107 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.166 -15.077 4.817 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.386 -14.173 6.136 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.391 -14.972 4.896 1.00 0.00 H new ATOM 667 N SER A 47 4.392 -10.035 3.977 1.00 0.00 N ATOM 668 CA SER A 47 4.489 -8.698 3.404 1.00 0.00 C ATOM 669 C SER A 47 4.127 -7.636 4.438 1.00 0.00 C ATOM 670 O SER A 47 2.982 -7.552 4.882 1.00 0.00 O ATOM 671 CB SER A 47 3.572 -8.574 2.186 1.00 0.00 C ATOM 672 OG SER A 47 4.197 -9.087 1.022 1.00 0.00 O ATOM 0 H SER A 47 3.483 -10.254 4.385 1.00 0.00 H new ATOM 0 HA SER A 47 5.521 -8.538 3.091 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.642 -9.112 2.371 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.309 -7.528 2.030 1.00 0.00 H new ATOM 0 HG SER A 47 3.590 -8.998 0.258 1.00 0.00 H new ATOM 678 N ILE A 48 5.112 -6.828 4.816 1.00 0.00 N ATOM 679 CA ILE A 48 4.897 -5.771 5.796 1.00 0.00 C ATOM 680 C ILE A 48 3.643 -4.966 5.472 1.00 0.00 C ATOM 681 O ILE A 48 3.357 -4.684 4.308 1.00 0.00 O ATOM 682 CB ILE A 48 6.103 -4.815 5.866 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.383 -5.595 6.171 1.00 0.00 C ATOM 684 CG2 ILE A 48 5.867 -3.742 6.919 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.368 -6.279 7.520 1.00 0.00 C ATOM 0 H ILE A 48 6.066 -6.885 4.459 1.00 0.00 H new ATOM 0 HA ILE A 48 4.773 -6.258 6.763 1.00 0.00 H new ATOM 0 HB ILE A 48 6.219 -4.328 4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.536 -6.345 5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.233 -4.914 6.128 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.727 -3.074 6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.975 -3.170 6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.729 -4.212 7.893 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.307 -6.812 7.668 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.247 -5.533 8.305 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.539 -6.986 7.560 1.00 0.00 H new ATOM 697 N VAL A 49 2.898 -4.597 6.509 1.00 0.00 N ATOM 698 CA VAL A 49 1.676 -3.822 6.336 1.00 0.00 C ATOM 699 C VAL A 49 1.501 -2.812 7.464 1.00 0.00 C ATOM 700 O VAL A 49 2.005 -3.008 8.570 1.00 0.00 O ATOM 701 CB VAL A 49 0.436 -4.734 6.280 1.00 0.00 C ATOM 702 CG1 VAL A 49 0.142 -5.150 4.847 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.632 -5.953 7.168 1.00 0.00 C ATOM 0 H VAL A 49 3.120 -4.823 7.479 1.00 0.00 H new ATOM 0 HA VAL A 49 1.770 -3.291 5.389 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.422 -4.175 6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.737 -5.794 4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.045 -4.263 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.997 -5.692 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.253 -6.587 7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.501 -6.516 6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.789 -5.632 8.198 1.00 0.00 H new ATOM 713 N ILE A 50 0.782 -1.732 7.178 1.00 0.00 N ATOM 714 CA ILE A 50 0.538 -0.692 8.170 1.00 0.00 C ATOM 715 C ILE A 50 -0.598 -1.082 9.108 1.00 0.00 C ATOM 716 O ILE A 50 -1.763 -1.109 8.711 1.00 0.00 O ATOM 717 CB ILE A 50 0.199 0.654 7.502 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.413 1.193 6.744 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.270 1.658 8.544 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.586 1.525 7.639 1.00 0.00 C ATOM 0 H ILE A 50 0.358 -1.554 6.267 1.00 0.00 H new ATOM 0 HA ILE A 50 1.458 -0.582 8.745 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.609 0.495 6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.727 0.455 6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.120 2.088 6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.506 2.604 8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.160 1.275 9.043 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.519 1.815 9.279 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.410 1.902 7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.289 2.286 8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.905 0.627 8.168 1.00 0.00 H new ATOM 732 N SER A 51 -0.252 -1.383 10.356 1.00 0.00 N ATOM 733 CA SER A 51 -1.243 -1.774 11.351 1.00 0.00 C ATOM 734 C SER A 51 -1.604 -0.595 12.251 1.00 0.00 C ATOM 735 O SER A 51 -2.172 -0.774 13.328 1.00 0.00 O ATOM 736 CB SER A 51 -0.716 -2.934 12.199 1.00 0.00 C ATOM 737 OG SER A 51 -1.770 -3.580 12.890 1.00 0.00 O ATOM 0 H SER A 51 0.707 -1.363 10.702 1.00 0.00 H new ATOM 0 HA SER A 51 -2.142 -2.096 10.825 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.202 -3.652 11.560 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.018 -2.562 12.914 1.00 0.00 H new ATOM 0 HG SER A 51 -2.329 -2.909 13.336 1.00 0.00 H new ATOM 743 N ASP A 52 -1.269 0.609 11.800 1.00 0.00 N ATOM 744 CA ASP A 52 -1.558 1.818 12.562 1.00 0.00 C ATOM 745 C ASP A 52 -1.442 3.057 11.679 1.00 0.00 C ATOM 746 O ASP A 52 -0.382 3.336 11.120 1.00 0.00 O ATOM 747 CB ASP A 52 -0.607 1.935 13.754 1.00 0.00 C ATOM 748 CG ASP A 52 -0.819 0.833 14.774 1.00 0.00 C ATOM 749 OD1 ASP A 52 -1.717 0.982 15.630 1.00 0.00 O ATOM 750 OD2 ASP A 52 -0.089 -0.177 14.716 1.00 0.00 O ATOM 0 H ASP A 52 -0.797 0.774 10.911 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.582 1.750 12.930 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.423 1.903 13.398 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.749 2.903 14.234 1.00 0.00 H new ATOM 755 N VAL A 53 -2.540 3.796 11.559 1.00 0.00 N ATOM 756 CA VAL A 53 -2.562 5.006 10.744 1.00 0.00 C ATOM 757 C VAL A 53 -3.100 6.192 11.537 1.00 0.00 C ATOM 758 O VAL A 53 -4.310 6.411 11.604 1.00 0.00 O ATOM 759 CB VAL A 53 -3.420 4.815 9.480 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.537 6.123 8.712 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.836 3.721 8.600 1.00 0.00 C ATOM 0 H VAL A 53 -3.426 3.579 12.015 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.533 5.208 10.448 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.421 4.509 9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.147 5.969 7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.004 6.877 9.346 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.544 6.462 8.417 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.455 3.600 7.711 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.824 3.995 8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.810 2.783 9.155 1.00 0.00 H new ATOM 771 N LEU A 54 -2.193 6.956 12.135 1.00 0.00 N ATOM 772 CA LEU A 54 -2.575 8.122 12.924 1.00 0.00 C ATOM 773 C LEU A 54 -3.807 8.800 12.332 1.00 0.00 C ATOM 774 O LEU A 54 -3.743 9.466 11.298 1.00 0.00 O ATOM 775 CB LEU A 54 -1.416 9.118 12.993 1.00 0.00 C ATOM 776 CG LEU A 54 -1.240 9.852 14.323 1.00 0.00 C ATOM 777 CD1 LEU A 54 -0.113 10.868 14.227 1.00 0.00 C ATOM 778 CD2 LEU A 54 -2.539 10.530 14.733 1.00 0.00 C ATOM 0 H LEU A 54 -1.188 6.789 12.089 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.817 7.784 13.932 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.492 8.585 12.770 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.554 9.860 12.207 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.978 9.121 15.088 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.003 11.380 15.183 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.817 10.357 13.980 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.345 11.596 13.450 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.396 11.048 15.682 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.831 11.249 13.968 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.322 9.780 14.844 1.00 0.00 H new ATOM 790 N PRO A 55 -4.956 8.628 13.002 1.00 0.00 N ATOM 791 CA PRO A 55 -6.225 9.217 12.562 1.00 0.00 C ATOM 792 C PRO A 55 -6.245 10.734 12.720 1.00 0.00 C ATOM 793 O PRO A 55 -7.262 11.380 12.470 1.00 0.00 O ATOM 794 CB PRO A 55 -7.257 8.569 13.488 1.00 0.00 C ATOM 795 CG PRO A 55 -6.490 8.200 14.711 1.00 0.00 C ATOM 796 CD PRO A 55 -5.106 7.846 14.241 1.00 0.00 C ATOM 0 HA PRO A 55 -6.412 9.039 11.503 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.067 9.259 13.722 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.709 7.692 13.025 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.462 9.029 15.419 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.955 7.358 15.224 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.350 8.114 14.979 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.006 6.777 14.056 1.00 0.00 H new ATOM 804 N GLY A 56 -5.114 11.296 13.136 1.00 0.00 N ATOM 805 CA GLY A 56 -5.024 12.733 13.319 1.00 0.00 C ATOM 806 C GLY A 56 -3.670 13.285 12.920 1.00 0.00 C ATOM 807 O GLY A 56 -3.311 14.400 13.296 1.00 0.00 O ATOM 0 H GLY A 56 -4.259 10.782 13.349 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.800 13.221 12.729 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.218 12.976 14.364 1.00 0.00 H new ATOM 811 N GLY A 57 -2.915 12.501 12.156 1.00 0.00 N ATOM 812 CA GLY A 57 -1.600 12.934 11.720 1.00 0.00 C ATOM 813 C GLY A 57 -1.484 13.002 10.210 1.00 0.00 C ATOM 814 O GLY A 57 -2.468 13.202 9.498 1.00 0.00 O ATOM 0 H GLY A 57 -3.190 11.574 11.831 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.385 13.916 12.143 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.847 12.248 12.109 1.00 0.00 H new ATOM 818 N PRO A 58 -0.255 12.834 9.699 1.00 0.00 N ATOM 819 CA PRO A 58 0.017 12.874 8.259 1.00 0.00 C ATOM 820 C PRO A 58 -0.559 11.667 7.527 1.00 0.00 C ATOM 821 O PRO A 58 -1.178 11.805 6.473 1.00 0.00 O ATOM 822 CB PRO A 58 1.546 12.865 8.186 1.00 0.00 C ATOM 823 CG PRO A 58 1.982 12.208 9.450 1.00 0.00 C ATOM 824 CD PRO A 58 0.965 12.592 10.489 1.00 0.00 C ATOM 0 HA PRO A 58 -0.441 13.741 7.782 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.897 12.316 7.313 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.945 13.877 8.108 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.029 11.126 9.331 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.979 12.540 9.739 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.819 11.798 11.221 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.270 13.482 11.040 1.00 0.00 H new ATOM 832 N ALA A 59 -0.350 10.483 8.093 1.00 0.00 N ATOM 833 CA ALA A 59 -0.851 9.251 7.495 1.00 0.00 C ATOM 834 C ALA A 59 -2.348 9.344 7.218 1.00 0.00 C ATOM 835 O ALA A 59 -2.808 9.015 6.125 1.00 0.00 O ATOM 836 CB ALA A 59 -0.552 8.065 8.401 1.00 0.00 C ATOM 0 H ALA A 59 0.163 10.351 8.965 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.341 9.105 6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.932 7.152 7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.525 7.979 8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.035 8.214 9.367 1.00 0.00 H new ATOM 842 N ASP A 60 -3.102 9.793 8.215 1.00 0.00 N ATOM 843 CA ASP A 60 -4.548 9.929 8.079 1.00 0.00 C ATOM 844 C ASP A 60 -4.911 10.525 6.722 1.00 0.00 C ATOM 845 O ASP A 60 -4.980 11.743 6.566 1.00 0.00 O ATOM 846 CB ASP A 60 -5.107 10.806 9.201 1.00 0.00 C ATOM 847 CG ASP A 60 -6.327 11.594 8.766 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.261 10.981 8.210 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.346 12.824 8.982 1.00 0.00 O ATOM 0 H ASP A 60 -2.736 10.069 9.126 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.991 8.936 8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.368 10.178 10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.334 11.496 9.539 1.00 0.00 H new ATOM 854 N GLY A 61 -5.143 9.656 5.743 1.00 0.00 N ATOM 855 CA GLY A 61 -5.495 10.115 4.412 1.00 0.00 C ATOM 856 C GLY A 61 -4.556 9.583 3.347 1.00 0.00 C ATOM 857 O GLY A 61 -4.996 8.985 2.364 1.00 0.00 O ATOM 0 H GLY A 61 -5.093 8.643 5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.514 9.804 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.482 11.205 4.392 1.00 0.00 H new ATOM 861 N LEU A 62 -3.260 9.800 3.542 1.00 0.00 N ATOM 862 CA LEU A 62 -2.256 9.340 2.589 1.00 0.00 C ATOM 863 C LEU A 62 -2.251 7.817 2.497 1.00 0.00 C ATOM 864 O LEU A 62 -2.427 7.249 1.419 1.00 0.00 O ATOM 865 CB LEU A 62 -0.870 9.842 2.997 1.00 0.00 C ATOM 866 CG LEU A 62 -0.716 11.358 3.123 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.573 11.705 3.851 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.748 12.014 1.750 1.00 0.00 C ATOM 0 H LEU A 62 -2.880 10.291 4.351 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.508 9.744 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.609 9.390 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.146 9.483 2.266 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.553 11.741 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.665 12.788 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.556 11.267 4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.423 11.309 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.637 13.093 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.069 11.625 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.699 11.795 1.264 1.00 0.00 H new ATOM 880 N LEU A 63 -2.050 7.162 3.635 1.00 0.00 N ATOM 881 CA LEU A 63 -2.024 5.704 3.684 1.00 0.00 C ATOM 882 C LEU A 63 -3.114 5.171 4.608 1.00 0.00 C ATOM 883 O LEU A 63 -3.714 5.924 5.375 1.00 0.00 O ATOM 884 CB LEU A 63 -0.654 5.214 4.157 1.00 0.00 C ATOM 885 CG LEU A 63 0.523 5.512 3.228 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.842 5.224 3.929 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.409 4.700 1.946 1.00 0.00 C ATOM 0 H LEU A 63 -1.903 7.617 4.536 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.210 5.328 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.446 5.661 5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.708 4.136 4.308 1.00 0.00 H new ATOM 0 HG LEU A 63 0.497 6.570 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.669 5.442 3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.926 5.849 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.878 4.174 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.255 4.925 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.409 3.637 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.519 4.956 1.435 1.00 0.00 H new ATOM 899 N GLN A 64 -3.364 3.868 4.529 1.00 0.00 N ATOM 900 CA GLN A 64 -4.382 3.234 5.360 1.00 0.00 C ATOM 901 C GLN A 64 -3.844 1.959 6.001 1.00 0.00 C ATOM 902 O GLN A 64 -2.701 1.570 5.766 1.00 0.00 O ATOM 903 CB GLN A 64 -5.624 2.916 4.527 1.00 0.00 C ATOM 904 CG GLN A 64 -6.440 4.145 4.157 1.00 0.00 C ATOM 905 CD GLN A 64 -7.906 3.828 3.940 1.00 0.00 C ATOM 906 OE1 GLN A 64 -8.766 4.253 4.712 1.00 0.00 O ATOM 907 NE2 GLN A 64 -8.200 3.077 2.885 1.00 0.00 N ATOM 0 H GLN A 64 -2.876 3.231 3.899 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.654 3.930 6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.318 2.405 3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.257 2.224 5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.346 4.890 4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.030 4.589 3.250 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.456 2.746 2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.170 2.831 2.688 1.00 0.00 H new ATOM 916 N GLU A 65 -4.678 1.313 6.811 1.00 0.00 N ATOM 917 CA GLU A 65 -4.285 0.082 7.486 1.00 0.00 C ATOM 918 C GLU A 65 -4.278 -1.094 6.514 1.00 0.00 C ATOM 919 O GLU A 65 -5.051 -1.126 5.557 1.00 0.00 O ATOM 920 CB GLU A 65 -5.231 -0.211 8.652 1.00 0.00 C ATOM 921 CG GLU A 65 -4.555 -0.896 9.828 1.00 0.00 C ATOM 922 CD GLU A 65 -5.535 -1.652 10.704 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.637 -1.979 10.216 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.200 -1.917 11.878 1.00 0.00 O ATOM 0 H GLU A 65 -5.629 1.622 7.015 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.275 0.217 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.674 0.725 8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.048 -0.839 8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.798 -1.587 9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.037 -0.149 10.430 1.00 0.00 H new ATOM 931 N ASN A 66 -3.400 -2.059 6.767 1.00 0.00 N ATOM 932 CA ASN A 66 -3.291 -3.237 5.914 1.00 0.00 C ATOM 933 C ASN A 66 -2.816 -2.854 4.516 1.00 0.00 C ATOM 934 O ASN A 66 -3.169 -3.501 3.530 1.00 0.00 O ATOM 935 CB ASN A 66 -4.639 -3.955 5.827 1.00 0.00 C ATOM 936 CG ASN A 66 -5.250 -4.204 7.193 1.00 0.00 C ATOM 937 OD1 ASN A 66 -6.094 -3.282 7.640 1.00 0.00 O flip ATOM 938 ND2 ASN A 66 -4.967 -5.214 7.837 1.00 0.00 N flip ATOM 0 H ASN A 66 -2.754 -2.048 7.556 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.556 -3.909 6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.327 -3.359 5.227 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.508 -4.906 5.311 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.313 -5.896 7.454 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.387 -5.369 8.754 1.00 0.00 H new ATOM 945 N ASP A 67 -2.013 -1.798 4.438 1.00 0.00 N ATOM 946 CA ASP A 67 -1.487 -1.329 3.161 1.00 0.00 C ATOM 947 C ASP A 67 -0.230 -2.102 2.775 1.00 0.00 C ATOM 948 O ASP A 67 0.880 -1.730 3.154 1.00 0.00 O ATOM 949 CB ASP A 67 -1.180 0.167 3.231 1.00 0.00 C ATOM 950 CG ASP A 67 -2.378 1.022 2.868 1.00 0.00 C ATOM 951 OD1 ASP A 67 -3.518 0.526 2.986 1.00 0.00 O ATOM 952 OD2 ASP A 67 -2.177 2.186 2.464 1.00 0.00 O ATOM 0 H ASP A 67 -1.712 -1.251 5.244 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.246 -1.501 2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.849 0.420 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.355 0.398 2.557 1.00 0.00 H new ATOM 957 N ARG A 68 -0.413 -3.180 2.019 1.00 0.00 N ATOM 958 CA ARG A 68 0.706 -4.007 1.584 1.00 0.00 C ATOM 959 C ARG A 68 1.885 -3.141 1.150 1.00 0.00 C ATOM 960 O ARG A 68 1.874 -2.556 0.067 1.00 0.00 O ATOM 961 CB ARG A 68 0.277 -4.917 0.431 1.00 0.00 C ATOM 962 CG ARG A 68 -0.201 -6.287 0.883 1.00 0.00 C ATOM 963 CD ARG A 68 -1.294 -6.177 1.934 1.00 0.00 C ATOM 964 NE ARG A 68 -2.239 -7.288 1.860 1.00 0.00 N ATOM 965 CZ ARG A 68 -2.039 -8.464 2.445 1.00 0.00 C ATOM 966 NH1 ARG A 68 -0.934 -8.680 3.144 1.00 0.00 N ATOM 967 NH2 ARG A 68 -2.946 -9.425 2.331 1.00 0.00 N ATOM 0 H ARG A 68 -1.326 -3.501 1.695 1.00 0.00 H new ATOM 0 HA ARG A 68 1.020 -4.623 2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.521 -4.429 -0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.116 -5.042 -0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.575 -6.844 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.639 -6.851 1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.842 -6.151 2.926 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.829 -5.237 1.803 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.100 -7.154 1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.235 -7.943 3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.783 -9.584 3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.798 -9.261 1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.792 -10.328 2.780 1.00 0.00 H new ATOM 981 N VAL A 69 2.901 -3.063 2.004 1.00 0.00 N ATOM 982 CA VAL A 69 4.088 -2.269 1.710 1.00 0.00 C ATOM 983 C VAL A 69 5.001 -2.990 0.724 1.00 0.00 C ATOM 984 O VAL A 69 5.400 -4.132 0.952 1.00 0.00 O ATOM 985 CB VAL A 69 4.883 -1.951 2.990 1.00 0.00 C ATOM 986 CG1 VAL A 69 5.954 -0.909 2.709 1.00 0.00 C ATOM 987 CG2 VAL A 69 3.947 -1.482 4.094 1.00 0.00 C ATOM 0 H VAL A 69 2.926 -3.540 2.905 1.00 0.00 H new ATOM 0 HA VAL A 69 3.742 -1.336 1.266 1.00 0.00 H new ATOM 0 HB VAL A 69 5.377 -2.862 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.505 -0.697 3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.641 -1.288 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.485 0.006 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.525 -1.261 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.423 -0.583 3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.221 -2.265 4.313 1.00 0.00 H new ATOM 997 N VAL A 70 5.329 -2.314 -0.373 1.00 0.00 N ATOM 998 CA VAL A 70 6.196 -2.890 -1.394 1.00 0.00 C ATOM 999 C VAL A 70 7.583 -2.257 -1.357 1.00 0.00 C ATOM 1000 O VAL A 70 8.587 -2.950 -1.195 1.00 0.00 O ATOM 1001 CB VAL A 70 5.600 -2.710 -2.803 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.292 -3.631 -3.797 1.00 0.00 C ATOM 1003 CG2 VAL A 70 4.100 -2.964 -2.783 1.00 0.00 C ATOM 0 H VAL A 70 5.008 -1.368 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 70 6.279 -3.955 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 70 5.767 -1.681 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.858 -3.490 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.356 -3.396 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.159 -4.667 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.695 -2.832 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.908 -3.982 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.621 -2.259 -2.103 1.00 0.00 H new ATOM 1013 N MET A 71 7.630 -0.938 -1.507 1.00 0.00 N ATOM 1014 CA MET A 71 8.894 -0.211 -1.488 1.00 0.00 C ATOM 1015 C MET A 71 8.827 0.973 -0.529 1.00 0.00 C ATOM 1016 O MET A 71 7.781 1.606 -0.380 1.00 0.00 O ATOM 1017 CB MET A 71 9.248 0.276 -2.894 1.00 0.00 C ATOM 1018 CG MET A 71 10.426 1.235 -2.927 1.00 0.00 C ATOM 1019 SD MET A 71 10.326 2.413 -4.288 1.00 0.00 S ATOM 1020 CE MET A 71 9.799 3.889 -3.420 1.00 0.00 C ATOM 0 H MET A 71 6.807 -0.350 -1.643 1.00 0.00 H new ATOM 0 HA MET A 71 9.671 -0.893 -1.141 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.474 -0.586 -3.522 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.378 0.768 -3.329 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.473 1.779 -1.984 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.351 0.665 -3.012 1.00 0.00 H new ATOM 0 HE1 MET A 71 9.048 4.411 -4.013 1.00 0.00 H new ATOM 0 HE2 MET A 71 9.372 3.611 -2.456 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.656 4.544 -3.262 1.00 0.00 H new ATOM 1030 N VAL A 72 9.949 1.267 0.121 1.00 0.00 N ATOM 1031 CA VAL A 72 10.017 2.376 1.065 1.00 0.00 C ATOM 1032 C VAL A 72 11.279 3.204 0.851 1.00 0.00 C ATOM 1033 O VAL A 72 12.372 2.802 1.249 1.00 0.00 O ATOM 1034 CB VAL A 72 9.985 1.875 2.522 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.182 3.033 3.488 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.680 1.147 2.806 1.00 0.00 C ATOM 0 H VAL A 72 10.823 0.753 0.011 1.00 0.00 H new ATOM 0 HA VAL A 72 9.142 3.000 0.884 1.00 0.00 H new ATOM 0 HB VAL A 72 10.805 1.171 2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.157 2.661 4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.145 3.506 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.385 3.764 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.674 0.800 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.842 1.826 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.587 0.292 2.136 1.00 0.00 H new ATOM 1046 N ASN A 73 11.120 4.362 0.219 1.00 0.00 N ATOM 1047 CA ASN A 73 12.248 5.248 -0.048 1.00 0.00 C ATOM 1048 C ASN A 73 13.247 4.586 -0.993 1.00 0.00 C ATOM 1049 O ASN A 73 14.442 4.876 -0.952 1.00 0.00 O ATOM 1050 CB ASN A 73 12.943 5.632 1.259 1.00 0.00 C ATOM 1051 CG ASN A 73 12.351 6.881 1.883 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.770 7.718 1.192 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.495 7.011 3.197 1.00 0.00 N ATOM 0 H ASN A 73 10.222 4.709 -0.118 1.00 0.00 H new ATOM 0 HA ASN A 73 11.865 6.150 -0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.866 4.805 1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.004 5.792 1.070 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.116 7.830 3.673 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.984 6.292 3.730 1.00 0.00 H new ATOM 1060 N GLY A 74 12.747 3.695 -1.845 1.00 0.00 N ATOM 1061 CA GLY A 74 13.609 3.007 -2.788 1.00 0.00 C ATOM 1062 C GLY A 74 14.163 1.712 -2.228 1.00 0.00 C ATOM 1063 O GLY A 74 15.194 1.219 -2.688 1.00 0.00 O ATOM 0 H GLY A 74 11.761 3.438 -1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.050 2.795 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.435 3.662 -3.066 1.00 0.00 H new ATOM 1067 N THR A 75 13.480 1.159 -1.231 1.00 0.00 N ATOM 1068 CA THR A 75 13.911 -0.084 -0.606 1.00 0.00 C ATOM 1069 C THR A 75 12.794 -1.121 -0.615 1.00 0.00 C ATOM 1070 O THR A 75 11.671 -0.863 -0.180 1.00 0.00 O ATOM 1071 CB THR A 75 14.370 0.147 0.846 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.386 1.155 0.885 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.902 -1.141 1.457 1.00 0.00 C ATOM 0 H THR A 75 12.625 1.553 -0.839 1.00 0.00 H new ATOM 0 HA THR A 75 14.752 -0.456 -1.191 1.00 0.00 H new ATOM 0 HB THR A 75 13.509 0.478 1.427 1.00 0.00 H new ATOM 0 HG1 THR A 75 16.076 0.900 1.533 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.220 -0.953 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.117 -1.897 1.453 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.751 -1.497 0.873 1.00 0.00 H new ATOM 1081 N PRO A 76 13.105 -2.324 -1.121 1.00 0.00 N ATOM 1082 CA PRO A 76 12.140 -3.424 -1.197 1.00 0.00 C ATOM 1083 C PRO A 76 11.790 -3.985 0.177 1.00 0.00 C ATOM 1084 O PRO A 76 12.654 -4.499 0.887 1.00 0.00 O ATOM 1085 CB PRO A 76 12.870 -4.478 -2.034 1.00 0.00 C ATOM 1086 CG PRO A 76 14.317 -4.192 -1.826 1.00 0.00 C ATOM 1087 CD PRO A 76 14.424 -2.702 -1.657 1.00 0.00 C ATOM 0 HA PRO A 76 11.189 -3.103 -1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.615 -5.487 -1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.599 -4.404 -3.087 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.695 -4.713 -0.946 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.908 -4.532 -2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.228 -2.432 -0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.631 -2.204 -2.604 1.00 0.00 H new ATOM 1095 N MET A 77 10.517 -3.882 0.546 1.00 0.00 N ATOM 1096 CA MET A 77 10.053 -4.381 1.835 1.00 0.00 C ATOM 1097 C MET A 77 9.480 -5.788 1.700 1.00 0.00 C ATOM 1098 O MET A 77 8.793 -6.276 2.596 1.00 0.00 O ATOM 1099 CB MET A 77 8.996 -3.441 2.419 1.00 0.00 C ATOM 1100 CG MET A 77 9.390 -1.974 2.363 1.00 0.00 C ATOM 1101 SD MET A 77 10.477 -1.494 3.720 1.00 0.00 S ATOM 1102 CE MET A 77 12.070 -1.519 2.902 1.00 0.00 C ATOM 0 H MET A 77 9.789 -3.458 -0.029 1.00 0.00 H new ATOM 0 HA MET A 77 10.908 -4.420 2.510 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.060 -3.578 1.877 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.808 -3.719 3.456 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.888 -1.772 1.415 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.490 -1.359 2.388 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.861 -1.401 3.642 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.198 -2.469 2.383 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.122 -0.702 2.182 1.00 0.00 H new ATOM 1112 N GLU A 78 9.766 -6.433 0.573 1.00 0.00 N ATOM 1113 CA GLU A 78 9.277 -7.783 0.322 1.00 0.00 C ATOM 1114 C GLU A 78 10.251 -8.825 0.867 1.00 0.00 C ATOM 1115 O GLU A 78 11.429 -8.834 0.512 1.00 0.00 O ATOM 1116 CB GLU A 78 9.067 -8.002 -1.178 1.00 0.00 C ATOM 1117 CG GLU A 78 10.283 -7.655 -2.021 1.00 0.00 C ATOM 1118 CD GLU A 78 10.231 -8.276 -3.403 1.00 0.00 C ATOM 1119 OE1 GLU A 78 9.117 -8.406 -3.953 1.00 0.00 O ATOM 1120 OE2 GLU A 78 11.303 -8.631 -3.935 1.00 0.00 O ATOM 0 H GLU A 78 10.333 -6.043 -0.180 1.00 0.00 H new ATOM 0 HA GLU A 78 8.323 -7.898 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.802 -9.045 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.222 -7.399 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.357 -6.572 -2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.184 -7.993 -1.509 1.00 0.00 H new ATOM 1127 N ASP A 79 9.748 -9.699 1.732 1.00 0.00 N ATOM 1128 CA ASP A 79 10.572 -10.745 2.326 1.00 0.00 C ATOM 1129 C ASP A 79 11.653 -10.144 3.219 1.00 0.00 C ATOM 1130 O ASP A 79 12.801 -10.588 3.206 1.00 0.00 O ATOM 1131 CB ASP A 79 11.214 -11.602 1.234 1.00 0.00 C ATOM 1132 CG ASP A 79 11.458 -13.029 1.685 1.00 0.00 C ATOM 1133 OD1 ASP A 79 10.523 -13.851 1.582 1.00 0.00 O ATOM 1134 OD2 ASP A 79 12.582 -13.323 2.141 1.00 0.00 O ATOM 0 H ASP A 79 8.775 -9.704 2.037 1.00 0.00 H new ATOM 0 HA ASP A 79 9.928 -11.375 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.570 -11.607 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.160 -11.153 0.933 1.00 0.00 H new ATOM 1139 N VAL A 80 11.278 -9.131 3.994 1.00 0.00 N ATOM 1140 CA VAL A 80 12.215 -8.469 4.893 1.00 0.00 C ATOM 1141 C VAL A 80 11.800 -8.649 6.349 1.00 0.00 C ATOM 1142 O VAL A 80 10.717 -9.161 6.639 1.00 0.00 O ATOM 1143 CB VAL A 80 12.321 -6.963 4.584 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.620 -6.741 3.109 1.00 0.00 C ATOM 1145 CG2 VAL A 80 11.044 -6.245 4.992 1.00 0.00 C ATOM 0 H VAL A 80 10.332 -8.751 4.017 1.00 0.00 H new ATOM 0 HA VAL A 80 13.188 -8.935 4.735 1.00 0.00 H new ATOM 0 HB VAL A 80 13.145 -6.547 5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.691 -5.672 2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.564 -7.222 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.819 -7.170 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.136 -5.183 4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.201 -6.661 4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.879 -6.376 6.061 1.00 0.00 H new ATOM 1155 N LEU A 81 12.666 -8.225 7.262 1.00 0.00 N ATOM 1156 CA LEU A 81 12.390 -8.339 8.690 1.00 0.00 C ATOM 1157 C LEU A 81 11.634 -7.116 9.198 1.00 0.00 C ATOM 1158 O LEU A 81 11.802 -6.010 8.682 1.00 0.00 O ATOM 1159 CB LEU A 81 13.695 -8.505 9.471 1.00 0.00 C ATOM 1160 CG LEU A 81 14.489 -9.781 9.187 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.807 -9.770 9.946 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.671 -11.011 9.553 1.00 0.00 C ATOM 0 H LEU A 81 13.566 -7.799 7.039 1.00 0.00 H new ATOM 0 HA LEU A 81 11.766 -9.220 8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.334 -7.648 9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.464 -8.474 10.536 1.00 0.00 H new ATOM 0 HG LEU A 81 14.708 -9.819 8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.358 -10.686 9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.399 -8.909 9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.610 -9.707 11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.252 -11.909 9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.420 -10.979 10.613 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.754 -11.027 8.964 1.00 0.00 H new ATOM 1174 N HIS A 82 10.801 -7.321 10.213 1.00 0.00 N ATOM 1175 CA HIS A 82 10.020 -6.234 10.793 1.00 0.00 C ATOM 1176 C HIS A 82 10.917 -5.053 11.154 1.00 0.00 C ATOM 1177 O HIS A 82 10.512 -3.896 11.040 1.00 0.00 O ATOM 1178 CB HIS A 82 9.272 -6.720 12.035 1.00 0.00 C ATOM 1179 CG HIS A 82 8.981 -5.633 13.023 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.786 -5.007 13.913 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.732 -5.070 13.176 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 9.016 -4.085 14.579 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.781 -4.143 14.116 1.00 0.00 N flip ATOM 0 H HIS A 82 10.649 -8.230 10.651 1.00 0.00 H new ATOM 0 HA HIS A 82 9.295 -5.903 10.049 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.333 -7.180 11.727 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.862 -7.496 12.524 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.851 -5.344 12.615 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.364 -3.420 15.356 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.998 -3.570 14.430 1.00 0.00 H new ATOM 1192 N SER A 83 12.135 -5.354 11.591 1.00 0.00 N ATOM 1193 CA SER A 83 13.088 -4.318 11.974 1.00 0.00 C ATOM 1194 C SER A 83 13.715 -3.675 10.741 1.00 0.00 C ATOM 1195 O SER A 83 14.178 -2.535 10.789 1.00 0.00 O ATOM 1196 CB SER A 83 14.181 -4.906 12.868 1.00 0.00 C ATOM 1197 OG SER A 83 13.663 -5.265 14.138 1.00 0.00 O ATOM 0 H SER A 83 12.486 -6.307 11.689 1.00 0.00 H new ATOM 0 HA SER A 83 12.549 -3.550 12.529 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.615 -5.783 12.388 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.984 -4.180 12.991 1.00 0.00 H new ATOM 0 HG SER A 83 14.381 -5.640 14.690 1.00 0.00 H new ATOM 1203 N PHE A 84 13.725 -4.414 9.636 1.00 0.00 N ATOM 1204 CA PHE A 84 14.296 -3.917 8.390 1.00 0.00 C ATOM 1205 C PHE A 84 13.363 -2.906 7.729 1.00 0.00 C ATOM 1206 O PHE A 84 13.799 -1.849 7.273 1.00 0.00 O ATOM 1207 CB PHE A 84 14.570 -5.077 7.431 1.00 0.00 C ATOM 1208 CG PHE A 84 15.018 -4.636 6.067 1.00 0.00 C ATOM 1209 CD1 PHE A 84 14.093 -4.388 5.066 1.00 0.00 C ATOM 1210 CD2 PHE A 84 16.364 -4.467 5.787 1.00 0.00 C ATOM 1211 CE1 PHE A 84 14.502 -3.982 3.810 1.00 0.00 C ATOM 1212 CE2 PHE A 84 16.780 -4.061 4.533 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.848 -3.817 3.543 1.00 0.00 C ATOM 0 H PHE A 84 13.344 -5.359 9.578 1.00 0.00 H new ATOM 0 HA PHE A 84 15.237 -3.418 8.624 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.334 -5.723 7.864 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.665 -5.676 7.331 1.00 0.00 H new ATOM 0 HD1 PHE A 84 13.040 -4.513 5.270 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.097 -4.655 6.558 1.00 0.00 H new ATOM 0 HE1 PHE A 84 13.771 -3.794 3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 84 17.833 -3.935 4.327 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.170 -3.498 2.563 1.00 0.00 H new ATOM 1223 N ALA A 85 12.078 -3.239 7.682 1.00 0.00 N ATOM 1224 CA ALA A 85 11.082 -2.361 7.079 1.00 0.00 C ATOM 1225 C ALA A 85 10.995 -1.035 7.828 1.00 0.00 C ATOM 1226 O ALA A 85 10.989 0.034 7.218 1.00 0.00 O ATOM 1227 CB ALA A 85 9.723 -3.044 7.052 1.00 0.00 C ATOM 0 H ALA A 85 11.701 -4.111 8.054 1.00 0.00 H new ATOM 0 HA ALA A 85 11.391 -2.151 6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.989 -2.377 6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.789 -3.962 6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.416 -3.284 8.070 1.00 0.00 H new ATOM 1233 N VAL A 86 10.927 -1.112 9.153 1.00 0.00 N ATOM 1234 CA VAL A 86 10.840 0.082 9.985 1.00 0.00 C ATOM 1235 C VAL A 86 12.118 0.908 9.896 1.00 0.00 C ATOM 1236 O VAL A 86 12.074 2.138 9.886 1.00 0.00 O ATOM 1237 CB VAL A 86 10.576 -0.279 11.459 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.531 -1.369 11.921 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.699 0.956 12.339 1.00 0.00 C ATOM 0 H VAL A 86 10.930 -1.989 9.674 1.00 0.00 H new ATOM 0 HA VAL A 86 10.004 0.671 9.608 1.00 0.00 H new ATOM 0 HB VAL A 86 9.558 -0.660 11.545 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.330 -1.611 12.965 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.390 -2.260 11.308 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.558 -1.019 11.822 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.509 0.683 13.377 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.704 1.368 12.250 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.971 1.703 12.021 1.00 0.00 H new ATOM 1249 N GLN A 87 13.255 0.223 9.830 1.00 0.00 N ATOM 1250 CA GLN A 87 14.547 0.894 9.742 1.00 0.00 C ATOM 1251 C GLN A 87 14.470 2.103 8.814 1.00 0.00 C ATOM 1252 O GLN A 87 14.743 3.230 9.225 1.00 0.00 O ATOM 1253 CB GLN A 87 15.618 -0.078 9.244 1.00 0.00 C ATOM 1254 CG GLN A 87 17.014 0.244 9.750 1.00 0.00 C ATOM 1255 CD GLN A 87 17.360 -0.500 11.024 1.00 0.00 C ATOM 1256 OE1 GLN A 87 16.388 -0.622 11.921 1.00 0.00 O flip ATOM 1257 NE2 GLN A 87 18.488 -0.961 11.201 1.00 0.00 N flip ATOM 0 H GLN A 87 13.308 -0.796 9.836 1.00 0.00 H new ATOM 0 HA GLN A 87 14.817 1.240 10.740 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.352 -1.089 9.554 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.625 -0.071 8.154 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.742 -0.006 8.979 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.093 1.317 9.927 1.00 0.00 H new ATOM 0 HE21 GLN A 87 19.205 -0.844 10.485 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.705 -1.460 12.064 1.00 0.00 H new ATOM 1266 N GLN A 88 14.096 1.859 7.562 1.00 0.00 N ATOM 1267 CA GLN A 88 13.984 2.928 6.577 1.00 0.00 C ATOM 1268 C GLN A 88 13.227 4.120 7.151 1.00 0.00 C ATOM 1269 O GLN A 88 13.616 5.272 6.951 1.00 0.00 O ATOM 1270 CB GLN A 88 13.280 2.419 5.318 1.00 0.00 C ATOM 1271 CG GLN A 88 13.954 1.209 4.691 1.00 0.00 C ATOM 1272 CD GLN A 88 15.287 1.549 4.054 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.463 2.632 3.496 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.235 0.622 4.134 1.00 0.00 N ATOM 0 H GLN A 88 13.866 0.931 7.206 1.00 0.00 H new ATOM 0 HA GLN A 88 14.991 3.253 6.315 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.250 2.163 5.566 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.240 3.223 4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.104 0.445 5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.294 0.780 3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.045 -0.262 4.606 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.153 0.794 3.723 1.00 0.00 H new ATOM 1283 N LEU A 89 12.142 3.838 7.864 1.00 0.00 N ATOM 1284 CA LEU A 89 11.328 4.888 8.468 1.00 0.00 C ATOM 1285 C LEU A 89 12.158 5.736 9.426 1.00 0.00 C ATOM 1286 O LEU A 89 12.214 6.960 9.297 1.00 0.00 O ATOM 1287 CB LEU A 89 10.139 4.275 9.210 1.00 0.00 C ATOM 1288 CG LEU A 89 9.291 3.282 8.414 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.189 2.702 9.287 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.701 3.951 7.182 1.00 0.00 C ATOM 0 H LEU A 89 11.805 2.891 8.038 1.00 0.00 H new ATOM 0 HA LEU A 89 10.958 5.532 7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.513 3.770 10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.492 5.084 9.550 1.00 0.00 H new ATOM 0 HG LEU A 89 9.935 2.466 8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.596 1.998 8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.633 2.185 10.138 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.547 3.507 9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.101 3.229 6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.072 4.787 7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.507 4.317 6.546 1.00 0.00 H new ATOM 1302 N ARG A 90 12.801 5.079 10.385 1.00 0.00 N ATOM 1303 CA ARG A 90 13.628 5.773 11.364 1.00 0.00 C ATOM 1304 C ARG A 90 14.839 6.416 10.695 1.00 0.00 C ATOM 1305 O ARG A 90 15.459 7.324 11.249 1.00 0.00 O ATOM 1306 CB ARG A 90 14.090 4.803 12.453 1.00 0.00 C ATOM 1307 CG ARG A 90 14.772 3.558 11.911 1.00 0.00 C ATOM 1308 CD ARG A 90 15.339 2.700 13.031 1.00 0.00 C ATOM 1309 NE ARG A 90 16.387 3.394 13.775 1.00 0.00 N ATOM 1310 CZ ARG A 90 16.740 3.076 15.016 1.00 0.00 C ATOM 1311 NH1 ARG A 90 16.133 2.081 15.647 1.00 0.00 N ATOM 1312 NH2 ARG A 90 17.703 3.755 15.627 1.00 0.00 N ATOM 0 H ARG A 90 12.765 4.067 10.505 1.00 0.00 H new ATOM 0 HA ARG A 90 13.025 6.559 11.819 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.777 5.321 13.122 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.229 4.504 13.051 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.058 2.974 11.330 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.574 3.848 11.232 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.537 2.417 13.713 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.742 1.777 12.613 1.00 0.00 H new ATOM 0 HE ARG A 90 16.874 4.164 13.317 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.393 1.557 15.180 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.406 1.839 16.600 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.172 4.521 15.144 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.974 3.511 16.580 1.00 0.00 H new ATOM 1326 N LYS A 91 15.172 5.938 9.500 1.00 0.00 N ATOM 1327 CA LYS A 91 16.307 6.466 8.754 1.00 0.00 C ATOM 1328 C LYS A 91 15.928 7.747 8.019 1.00 0.00 C ATOM 1329 O LYS A 91 16.725 8.680 7.925 1.00 0.00 O ATOM 1330 CB LYS A 91 16.816 5.424 7.755 1.00 0.00 C ATOM 1331 CG LYS A 91 17.601 4.295 8.400 1.00 0.00 C ATOM 1332 CD LYS A 91 17.843 3.156 7.425 1.00 0.00 C ATOM 1333 CE LYS A 91 19.063 3.418 6.554 1.00 0.00 C ATOM 1334 NZ LYS A 91 18.703 4.122 5.293 1.00 0.00 N ATOM 0 H LYS A 91 14.671 5.185 9.028 1.00 0.00 H new ATOM 0 HA LYS A 91 17.100 6.698 9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.966 5.003 7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.447 5.919 7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.557 4.675 8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.057 3.923 9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.981 2.226 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.965 3.024 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.785 4.016 7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.549 2.472 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.369 3.851 4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.737 3.858 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.751 5.150 5.443 1.00 0.00 H new ATOM 1348 N SER A 92 14.705 7.786 7.500 1.00 0.00 N ATOM 1349 CA SER A 92 14.220 8.952 6.771 1.00 0.00 C ATOM 1350 C SER A 92 14.273 10.201 7.646 1.00 0.00 C ATOM 1351 O SER A 92 13.933 10.158 8.828 1.00 0.00 O ATOM 1352 CB SER A 92 12.789 8.717 6.283 1.00 0.00 C ATOM 1353 OG SER A 92 12.470 9.579 5.205 1.00 0.00 O ATOM 0 H SER A 92 14.032 7.023 7.571 1.00 0.00 H new ATOM 0 HA SER A 92 14.869 9.106 5.909 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.674 7.679 5.969 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.090 8.881 7.103 1.00 0.00 H new ATOM 0 HG SER A 92 12.087 10.411 5.554 1.00 0.00 H new ATOM 1359 N GLY A 93 14.702 11.312 7.056 1.00 0.00 N ATOM 1360 CA GLY A 93 14.792 12.558 7.796 1.00 0.00 C ATOM 1361 C GLY A 93 13.441 13.038 8.289 1.00 0.00 C ATOM 1362 O GLY A 93 13.072 12.805 9.440 1.00 0.00 O ATOM 0 H GLY A 93 14.989 11.372 6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.459 12.424 8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.236 13.324 7.160 1.00 0.00 H new ATOM 1366 N LYS A 94 12.701 13.713 7.416 1.00 0.00 N ATOM 1367 CA LYS A 94 11.383 14.229 7.768 1.00 0.00 C ATOM 1368 C LYS A 94 10.324 13.725 6.793 1.00 0.00 C ATOM 1369 O LYS A 94 9.190 13.444 7.184 1.00 0.00 O ATOM 1370 CB LYS A 94 11.397 15.759 7.776 1.00 0.00 C ATOM 1371 CG LYS A 94 10.014 16.380 7.868 1.00 0.00 C ATOM 1372 CD LYS A 94 9.597 16.602 9.312 1.00 0.00 C ATOM 1373 CE LYS A 94 8.692 17.816 9.451 1.00 0.00 C ATOM 1374 NZ LYS A 94 8.734 18.386 10.826 1.00 0.00 N ATOM 0 H LYS A 94 12.991 13.916 6.459 1.00 0.00 H new ATOM 0 HA LYS A 94 11.134 13.869 8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.998 16.104 8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.886 16.114 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.005 17.331 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.290 15.732 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.080 15.717 9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.484 16.735 9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.994 18.578 8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.668 17.535 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.104 19.212 10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.421 17.667 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.706 18.678 11.051 1.00 0.00 H new ATOM 1388 N ILE A 95 10.700 13.613 5.523 1.00 0.00 N ATOM 1389 CA ILE A 95 9.783 13.140 4.494 1.00 0.00 C ATOM 1390 C ILE A 95 10.231 11.795 3.933 1.00 0.00 C ATOM 1391 O ILE A 95 11.390 11.623 3.558 1.00 0.00 O ATOM 1392 CB ILE A 95 9.664 14.151 3.338 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.306 15.537 3.879 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.623 13.685 2.332 1.00 0.00 C ATOM 1395 CD1 ILE A 95 7.972 15.583 4.590 1.00 0.00 C ATOM 0 H ILE A 95 11.633 13.844 5.183 1.00 0.00 H new ATOM 0 HA ILE A 95 8.809 13.026 4.969 1.00 0.00 H new ATOM 0 HB ILE A 95 10.627 14.216 2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.086 15.862 4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.293 16.248 3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.550 14.410 1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.916 12.716 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.655 13.594 2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.784 16.596 4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.181 15.289 3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.987 14.897 5.437 1.00 0.00 H new ATOM 1407 N ALA A 96 9.304 10.844 3.878 1.00 0.00 N ATOM 1408 CA ALA A 96 9.602 9.515 3.359 1.00 0.00 C ATOM 1409 C ALA A 96 8.575 9.090 2.315 1.00 0.00 C ATOM 1410 O ALA A 96 7.408 9.472 2.388 1.00 0.00 O ATOM 1411 CB ALA A 96 9.653 8.504 4.495 1.00 0.00 C ATOM 0 H ALA A 96 8.340 10.970 4.187 1.00 0.00 H new ATOM 0 HA ALA A 96 10.578 9.551 2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.876 7.516 4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.430 8.792 5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.689 8.479 5.004 1.00 0.00 H new ATOM 1417 N ALA A 97 9.018 8.297 1.345 1.00 0.00 N ATOM 1418 CA ALA A 97 8.137 7.819 0.287 1.00 0.00 C ATOM 1419 C ALA A 97 7.857 6.327 0.438 1.00 0.00 C ATOM 1420 O ALA A 97 8.781 5.520 0.541 1.00 0.00 O ATOM 1421 CB ALA A 97 8.745 8.108 -1.077 1.00 0.00 C ATOM 0 H ALA A 97 9.982 7.972 1.270 1.00 0.00 H new ATOM 0 HA ALA A 97 7.189 8.350 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.076 7.746 -1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.888 9.183 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.707 7.603 -1.161 1.00 0.00 H new ATOM 1427 N ILE A 98 6.578 5.969 0.452 1.00 0.00 N ATOM 1428 CA ILE A 98 6.177 4.574 0.590 1.00 0.00 C ATOM 1429 C ILE A 98 5.252 4.153 -0.547 1.00 0.00 C ATOM 1430 O ILE A 98 4.334 4.884 -0.918 1.00 0.00 O ATOM 1431 CB ILE A 98 5.469 4.322 1.934 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.387 4.702 3.098 1.00 0.00 C ATOM 1433 CG2 ILE A 98 5.041 2.866 2.042 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.643 5.018 4.376 1.00 0.00 C ATOM 0 H ILE A 98 5.801 6.625 0.370 1.00 0.00 H new ATOM 0 HA ILE A 98 7.089 3.978 0.552 1.00 0.00 H new ATOM 0 HB ILE A 98 4.577 4.947 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.082 3.883 3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.984 5.568 2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.542 2.703 2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.355 2.627 1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.919 2.223 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.357 5.279 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.968 5.857 4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.067 4.146 4.687 1.00 0.00 H new ATOM 1446 N VAL A 99 5.498 2.967 -1.095 1.00 0.00 N ATOM 1447 CA VAL A 99 4.685 2.446 -2.187 1.00 0.00 C ATOM 1448 C VAL A 99 3.904 1.212 -1.750 1.00 0.00 C ATOM 1449 O VAL A 99 4.438 0.103 -1.724 1.00 0.00 O ATOM 1450 CB VAL A 99 5.551 2.086 -3.409 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.674 1.743 -4.603 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.499 3.228 -3.744 1.00 0.00 C ATOM 0 H VAL A 99 6.254 2.349 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 99 3.986 3.235 -2.466 1.00 0.00 H new ATOM 0 HB VAL A 99 6.148 1.208 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.304 1.491 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.040 0.891 -4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.049 2.600 -4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.103 2.957 -4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.922 4.125 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.151 3.421 -2.892 1.00 0.00 H new ATOM 1462 N VAL A 100 2.635 1.411 -1.408 1.00 0.00 N ATOM 1463 CA VAL A 100 1.779 0.314 -0.974 1.00 0.00 C ATOM 1464 C VAL A 100 0.734 -0.020 -2.033 1.00 0.00 C ATOM 1465 O VAL A 100 0.470 0.777 -2.933 1.00 0.00 O ATOM 1466 CB VAL A 100 1.064 0.650 0.349 1.00 0.00 C ATOM 1467 CG1 VAL A 100 2.074 1.029 1.420 1.00 0.00 C ATOM 1468 CG2 VAL A 100 0.053 1.767 0.138 1.00 0.00 C ATOM 0 H VAL A 100 2.177 2.322 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 100 2.425 -0.550 -0.820 1.00 0.00 H new ATOM 0 HB VAL A 100 0.527 -0.236 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.551 1.263 2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.756 0.195 1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.641 1.901 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.443 1.992 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.566 2.658 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.689 1.452 -0.596 1.00 0.00 H new ATOM 1478 N LYS A 101 0.142 -1.204 -1.919 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.876 -1.645 -2.865 1.00 0.00 C ATOM 1480 C LYS A 101 -2.136 -2.100 -2.136 1.00 0.00 C ATOM 1481 O LYS A 101 -2.081 -2.974 -1.269 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.336 -2.784 -3.732 1.00 0.00 C ATOM 1483 CG LYS A 101 0.219 -3.949 -2.930 1.00 0.00 C ATOM 1484 CD LYS A 101 0.888 -4.976 -3.828 1.00 0.00 C ATOM 1485 CE LYS A 101 1.052 -6.313 -3.121 1.00 0.00 C ATOM 1486 NZ LYS A 101 1.852 -7.273 -3.929 1.00 0.00 N ATOM 0 H LYS A 101 0.350 -1.876 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.133 -0.800 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.135 -3.147 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.448 -2.395 -4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.939 -3.579 -2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.587 -4.424 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.294 -5.112 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.865 -4.606 -4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.537 -6.157 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.070 -6.739 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.941 -8.171 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.377 -7.442 -4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.798 -6.878 -4.101 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.268 -1.504 -2.492 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.542 -1.849 -1.872 1.00 0.00 C ATOM 1502 C ARG A 102 -5.469 -2.528 -2.875 1.00 0.00 C ATOM 1503 O ARG A 102 -5.693 -2.037 -3.982 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.214 -0.597 -1.306 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.532 -0.048 -0.063 1.00 0.00 C ATOM 1506 CD ARG A 102 -5.112 1.298 0.342 1.00 0.00 C ATOM 1507 NE ARG A 102 -4.361 2.412 -0.230 1.00 0.00 N ATOM 1508 CZ ARG A 102 -4.497 3.672 0.168 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.351 3.976 1.135 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -3.778 4.630 -0.402 1.00 0.00 N ATOM 0 H ARG A 102 -3.330 -0.779 -3.207 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.344 -2.546 -1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.228 0.176 -2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.252 -0.828 -1.068 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.645 -0.756 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.463 0.056 -0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.151 1.357 0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.112 1.381 1.429 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.695 2.212 -0.976 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.905 3.242 1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.454 4.944 1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.120 4.399 -1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.883 5.597 -0.096 1.00 0.00 H new ATOM 1524 N PRO A 103 -6.023 -3.685 -2.481 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.935 -4.456 -3.331 1.00 0.00 C ATOM 1526 C PRO A 103 -8.280 -3.762 -3.516 1.00 0.00 C ATOM 1527 O PRO A 103 -8.940 -3.397 -2.543 1.00 0.00 O ATOM 1528 CB PRO A 103 -7.111 -5.768 -2.563 1.00 0.00 C ATOM 1529 CG PRO A 103 -6.841 -5.414 -1.141 1.00 0.00 C ATOM 1530 CD PRO A 103 -5.801 -4.329 -1.175 1.00 0.00 C ATOM 0 HA PRO A 103 -6.541 -4.586 -4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.118 -6.167 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.419 -6.531 -2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.749 -5.069 -0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.483 -6.280 -0.584 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.928 -3.625 -0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.793 -4.736 -1.094 1.00 0.00 H new