USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 740 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 97 GLN : amide:sc= 0.54 K(o=1.5,f=-3!) USER MOD Set 1.2: A 103 TYR OH : rot 156:sc= 0.915 USER MOD Set 2.1: A 60 ASN : amide:sc= 0.849 K(o=2.1,f=-0.048) USER MOD Set 2.2: A 102 TYR OH : rot 173:sc= 1.21 USER MOD Set 3.1: A 78 MET CE :methyl -160:sc= -4.63 (180deg=-4.84!) USER MOD Set 3.2: A 93 TYR OH : rot 159:sc= -0.286 USER MOD Set 4.1: A 59 THR OG1 : rot -45:sc= 1.04 USER MOD Set 4.2: A 64 GLN :FLIP amide:sc= -0.366 F(o=-0.66,f=0.68) USER MOD Set 5.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0.175 K(o=0.17,f=-1.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -2.82 K(o=-2.8,f=-13!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 33 MET CE :methyl 148:sc= -0.589 (180deg=-1.9!) USER MOD Single : A 34 THR OG1 : rot -76:sc= 1.33 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 39 CYS SG : rot 180:sc= -2.99! USER MOD Single : A 40 SER OG : rot 82:sc= 1.1 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.691 X(o=-0.69,f=-0.62) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -40:sc= 1.17 USER MOD Single : A 71 THR OG1 : rot -35:sc= -0.456 USER MOD Single : A 73 ASN : amide:sc= -0.307 K(o=-0.31,f=-5.3!) USER MOD Single : A 74 ASN : amide:sc= -0.0423 X(o=-0.042,f=-0.42) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 77 MET CE :methyl 163:sc= -0.179 (180deg=-0.716) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0205 K(o=-0.02,f=-1.9!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0496 X(o=-0.05,f=0.0033) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -161:sc= -0.0428 (180deg=-0.322) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.892 -3.025 -13.943 1.00 0.00 N ATOM 186 CA LYS A 16 -1.542 -1.818 -13.446 1.00 0.00 C ATOM 187 C LYS A 16 -0.523 -0.706 -13.217 1.00 0.00 C ATOM 188 O LYS A 16 0.627 -0.969 -12.863 1.00 0.00 O ATOM 189 CB LYS A 16 -2.288 -2.116 -12.143 1.00 0.00 C ATOM 190 CG LYS A 16 -3.264 -3.275 -12.253 1.00 0.00 C ATOM 191 CD LYS A 16 -4.436 -2.934 -13.157 1.00 0.00 C ATOM 192 CE LYS A 16 -5.385 -4.113 -13.309 1.00 0.00 C ATOM 193 NZ LYS A 16 -6.657 -3.719 -13.975 1.00 0.00 N ATOM 0 HA LYS A 16 -2.256 -1.484 -14.199 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.562 -2.336 -11.360 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.831 -1.223 -11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.746 -4.152 -12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.633 -3.537 -11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.977 -2.081 -12.747 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.065 -2.635 -14.138 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.899 -4.898 -13.889 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.604 -4.532 -12.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.276 -4.550 -14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.134 -2.988 -13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.451 -3.343 -14.922 1.00 0.00 H new ATOM 207 N ILE A 17 -0.953 0.535 -13.419 1.00 0.00 N ATOM 208 CA ILE A 17 -0.078 1.686 -13.232 1.00 0.00 C ATOM 209 C ILE A 17 0.022 2.066 -11.759 1.00 0.00 C ATOM 210 O ILE A 17 1.015 2.651 -11.325 1.00 0.00 O ATOM 211 CB ILE A 17 -0.572 2.905 -14.033 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.430 4.055 -13.923 1.00 0.00 C ATOM 213 CG2 ILE A 17 -1.944 3.341 -13.541 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.305 5.074 -15.034 1.00 0.00 C ATOM 0 H ILE A 17 -1.902 0.769 -13.712 1.00 0.00 H new ATOM 0 HA ILE A 17 0.907 1.397 -13.598 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.657 2.622 -15.082 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.292 4.556 -12.965 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.441 3.647 -13.927 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.280 4.204 -14.117 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.653 2.522 -13.667 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.884 3.610 -12.486 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.046 5.860 -14.892 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.472 4.587 -15.995 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.694 5.510 -15.017 1.00 0.00 H new ATOM 226 N TRP A 18 -1.010 1.729 -10.995 1.00 0.00 N ATOM 227 CA TRP A 18 -1.038 2.034 -9.569 1.00 0.00 C ATOM 228 C TRP A 18 -0.343 0.940 -8.766 1.00 0.00 C ATOM 229 O TRP A 18 0.053 1.155 -7.619 1.00 0.00 O ATOM 230 CB TRP A 18 -2.481 2.198 -9.089 1.00 0.00 C ATOM 231 CG TRP A 18 -3.405 1.141 -9.614 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.253 1.248 -10.679 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.575 -0.183 -9.095 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.940 0.071 -10.853 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.542 -0.823 -9.895 1.00 0.00 C ATOM 236 CE3 TRP A 18 -3.004 -0.890 -8.033 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.948 -2.134 -9.665 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.409 -2.191 -7.806 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.373 -2.803 -8.619 1.00 0.00 C ATOM 0 H TRP A 18 -1.839 1.244 -11.339 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.503 2.970 -9.412 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.499 2.177 -7.999 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.849 3.177 -9.395 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.367 2.128 -11.294 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.634 -0.108 -11.578 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.260 -0.428 -7.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.691 -2.607 -10.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.975 -2.746 -6.988 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.668 -3.822 -8.416 1.00 0.00 H new ATOM 250 N PHE A 19 -0.197 -0.233 -9.373 1.00 0.00 N ATOM 251 CA PHE A 19 0.450 -1.361 -8.712 1.00 0.00 C ATOM 252 C PHE A 19 1.968 -1.221 -8.760 1.00 0.00 C ATOM 253 O PHE A 19 2.523 -0.679 -9.717 1.00 0.00 O ATOM 254 CB PHE A 19 0.026 -2.676 -9.370 1.00 0.00 C ATOM 255 CG PHE A 19 0.661 -3.888 -8.751 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.276 -4.321 -7.493 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.643 -4.594 -9.427 1.00 0.00 C ATOM 258 CE1 PHE A 19 0.860 -5.435 -6.920 1.00 0.00 C ATOM 259 CE2 PHE A 19 2.230 -5.709 -8.860 1.00 0.00 C ATOM 260 CZ PHE A 19 1.837 -6.131 -7.605 1.00 0.00 C ATOM 0 H PHE A 19 -0.518 -0.428 -10.321 1.00 0.00 H new ATOM 0 HA PHE A 19 0.136 -1.368 -7.668 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.058 -2.771 -9.307 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.282 -2.642 -10.429 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.489 -3.782 -6.954 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.953 -4.269 -10.409 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.553 -5.761 -5.937 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.995 -6.250 -9.397 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.293 -7.003 -7.160 1.00 0.00 H new ATOM 270 N HIS A 20 2.635 -1.713 -7.721 1.00 0.00 N ATOM 271 CA HIS A 20 4.090 -1.643 -7.644 1.00 0.00 C ATOM 272 C HIS A 20 4.663 -2.917 -7.030 1.00 0.00 C ATOM 273 O HIS A 20 4.255 -3.334 -5.946 1.00 0.00 O ATOM 274 CB HIS A 20 4.521 -0.429 -6.821 1.00 0.00 C ATOM 275 CG HIS A 20 4.499 0.855 -7.592 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.643 1.492 -8.025 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.463 1.620 -8.009 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.312 2.594 -8.674 1.00 0.00 C ATOM 279 NE2 HIS A 20 3.995 2.695 -8.679 1.00 0.00 N ATOM 0 H HIS A 20 2.191 -2.164 -6.921 1.00 0.00 H new ATOM 0 HA HIS A 20 4.478 -1.542 -8.658 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.865 -0.335 -5.956 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.528 -0.597 -6.440 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.414 1.422 -7.846 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.001 3.293 -9.124 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.460 3.449 -9.110 1.00 0.00 H new ATOM 287 N GLY A 21 5.611 -3.532 -7.731 1.00 0.00 N ATOM 288 CA GLY A 21 6.223 -4.753 -7.239 1.00 0.00 C ATOM 289 C GLY A 21 7.729 -4.755 -7.411 1.00 0.00 C ATOM 290 O GLY A 21 8.459 -5.248 -6.550 1.00 0.00 O ATOM 0 H GLY A 21 5.966 -3.207 -8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.980 -4.878 -6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.799 -5.607 -7.767 1.00 0.00 H new ATOM 294 N LYS A 22 8.197 -4.205 -8.526 1.00 0.00 N ATOM 295 CA LYS A 22 9.626 -4.145 -8.809 1.00 0.00 C ATOM 296 C LYS A 22 10.367 -3.386 -7.713 1.00 0.00 C ATOM 297 O LYS A 22 11.469 -3.767 -7.318 1.00 0.00 O ATOM 298 CB LYS A 22 9.871 -3.476 -10.163 1.00 0.00 C ATOM 299 CG LYS A 22 9.591 -4.382 -11.349 1.00 0.00 C ATOM 300 CD LYS A 22 9.540 -3.598 -12.650 1.00 0.00 C ATOM 301 CE LYS A 22 10.936 -3.293 -13.172 1.00 0.00 C ATOM 302 NZ LYS A 22 10.897 -2.517 -14.442 1.00 0.00 N ATOM 0 H LYS A 22 7.607 -3.794 -9.249 1.00 0.00 H new ATOM 0 HA LYS A 22 10.008 -5.166 -8.841 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.243 -2.588 -10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.907 -3.139 -10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.365 -5.147 -11.414 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.643 -4.899 -11.197 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.987 -4.167 -13.397 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.997 -2.666 -12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.490 -2.731 -12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.475 -4.226 -13.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.868 -2.330 -14.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.391 -3.064 -15.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.405 -1.615 -14.283 1.00 0.00 H new ATOM 316 N ILE A 23 9.754 -2.313 -7.225 1.00 0.00 N ATOM 317 CA ILE A 23 10.355 -1.503 -6.173 1.00 0.00 C ATOM 318 C ILE A 23 10.289 -2.214 -4.826 1.00 0.00 C ATOM 319 O ILE A 23 9.853 -3.362 -4.739 1.00 0.00 O ATOM 320 CB ILE A 23 9.662 -0.133 -6.052 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.232 -0.305 -5.535 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.662 0.582 -7.395 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.682 0.931 -4.856 1.00 0.00 C ATOM 0 H ILE A 23 8.842 -1.984 -7.541 1.00 0.00 H new ATOM 0 HA ILE A 23 11.398 -1.350 -6.450 1.00 0.00 H new ATOM 0 HB ILE A 23 10.217 0.476 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.582 -0.571 -6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.206 -1.138 -4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.169 1.549 -7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.689 0.732 -7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.128 -0.022 -8.129 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.665 0.737 -4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.309 1.186 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.675 1.761 -5.562 1.00 0.00 H new ATOM 335 N SER A 24 10.724 -1.524 -3.777 1.00 0.00 N ATOM 336 CA SER A 24 10.717 -2.091 -2.433 1.00 0.00 C ATOM 337 C SER A 24 9.918 -1.210 -1.477 1.00 0.00 C ATOM 338 O SER A 24 9.357 -0.190 -1.876 1.00 0.00 O ATOM 339 CB SER A 24 12.148 -2.254 -1.918 1.00 0.00 C ATOM 340 OG SER A 24 12.222 -3.267 -0.929 1.00 0.00 O ATOM 0 H SER A 24 11.086 -0.572 -3.831 1.00 0.00 H new ATOM 0 HA SER A 24 10.242 -3.071 -2.481 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.810 -2.502 -2.747 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.498 -1.309 -1.502 1.00 0.00 H new ATOM 0 HG SER A 24 13.147 -3.353 -0.617 1.00 0.00 H new ATOM 346 N LYS A 25 9.870 -1.613 -0.212 1.00 0.00 N ATOM 347 CA LYS A 25 9.142 -0.863 0.804 1.00 0.00 C ATOM 348 C LYS A 25 9.790 0.496 1.046 1.00 0.00 C ATOM 349 O LYS A 25 9.110 1.522 1.072 1.00 0.00 O ATOM 350 CB LYS A 25 9.089 -1.655 2.113 1.00 0.00 C ATOM 351 CG LYS A 25 8.555 -0.853 3.287 1.00 0.00 C ATOM 352 CD LYS A 25 8.417 -1.713 4.532 1.00 0.00 C ATOM 353 CE LYS A 25 9.758 -1.921 5.219 1.00 0.00 C ATOM 354 NZ LYS A 25 9.615 -2.658 6.505 1.00 0.00 N ATOM 0 H LYS A 25 10.328 -2.456 0.134 1.00 0.00 H new ATOM 0 HA LYS A 25 8.126 -0.702 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.463 -2.536 1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.091 -2.012 2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.224 -0.018 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.585 -0.428 3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.721 -1.241 5.226 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.992 -2.680 4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.424 -2.474 4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.225 -0.954 5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.551 -2.779 6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.000 -2.119 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.193 -3.592 6.325 1.00 0.00 H new ATOM 368 N GLN A 26 11.108 0.496 1.221 1.00 0.00 N ATOM 369 CA GLN A 26 11.847 1.730 1.460 1.00 0.00 C ATOM 370 C GLN A 26 11.728 2.675 0.269 1.00 0.00 C ATOM 371 O GLN A 26 11.443 3.860 0.432 1.00 0.00 O ATOM 372 CB GLN A 26 13.319 1.422 1.737 1.00 0.00 C ATOM 373 CG GLN A 26 13.609 1.094 3.193 1.00 0.00 C ATOM 374 CD GLN A 26 12.709 0.000 3.735 1.00 0.00 C ATOM 375 OE1 GLN A 26 11.489 0.154 3.787 1.00 0.00 O ATOM 376 NE2 GLN A 26 13.309 -1.113 4.141 1.00 0.00 N ATOM 0 H GLN A 26 11.685 -0.345 1.202 1.00 0.00 H new ATOM 0 HA GLN A 26 11.415 2.219 2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.629 0.582 1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.923 2.279 1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.650 0.785 3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.485 1.994 3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.324 -1.197 4.079 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.755 -1.884 4.514 1.00 0.00 H new ATOM 385 N GLU A 27 11.949 2.140 -0.929 1.00 0.00 N ATOM 386 CA GLU A 27 11.868 2.938 -2.147 1.00 0.00 C ATOM 387 C GLU A 27 10.504 3.613 -2.265 1.00 0.00 C ATOM 388 O GLU A 27 10.415 4.818 -2.496 1.00 0.00 O ATOM 389 CB GLU A 27 12.123 2.061 -3.374 1.00 0.00 C ATOM 390 CG GLU A 27 13.590 1.726 -3.589 1.00 0.00 C ATOM 391 CD GLU A 27 13.788 0.424 -4.340 1.00 0.00 C ATOM 392 OE1 GLU A 27 13.584 0.414 -5.572 1.00 0.00 O ATOM 393 OE2 GLU A 27 14.146 -0.584 -3.697 1.00 0.00 O ATOM 0 H GLU A 27 12.185 1.159 -1.081 1.00 0.00 H new ATOM 0 HA GLU A 27 12.634 3.712 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.559 1.134 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.742 2.570 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.066 2.536 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.090 1.663 -2.622 1.00 0.00 H new ATOM 400 N ALA A 28 9.445 2.826 -2.107 1.00 0.00 N ATOM 401 CA ALA A 28 8.087 3.346 -2.194 1.00 0.00 C ATOM 402 C ALA A 28 7.967 4.691 -1.486 1.00 0.00 C ATOM 403 O ALA A 28 7.334 5.617 -1.993 1.00 0.00 O ATOM 404 CB ALA A 28 7.100 2.348 -1.606 1.00 0.00 C ATOM 0 H ALA A 28 9.502 1.825 -1.918 1.00 0.00 H new ATOM 0 HA ALA A 28 7.850 3.497 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.089 2.750 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.158 1.410 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.345 2.168 -0.559 1.00 0.00 H new ATOM 410 N TYR A 29 8.579 4.792 -0.311 1.00 0.00 N ATOM 411 CA TYR A 29 8.538 6.024 0.469 1.00 0.00 C ATOM 412 C TYR A 29 9.133 7.187 -0.319 1.00 0.00 C ATOM 413 O TYR A 29 8.444 8.157 -0.630 1.00 0.00 O ATOM 414 CB TYR A 29 9.296 5.844 1.785 1.00 0.00 C ATOM 415 CG TYR A 29 8.455 5.249 2.892 1.00 0.00 C ATOM 416 CD1 TYR A 29 7.467 5.998 3.519 1.00 0.00 C ATOM 417 CD2 TYR A 29 8.649 3.939 3.311 1.00 0.00 C ATOM 418 CE1 TYR A 29 6.697 5.460 4.531 1.00 0.00 C ATOM 419 CE2 TYR A 29 7.882 3.391 4.321 1.00 0.00 C ATOM 420 CZ TYR A 29 6.908 4.156 4.928 1.00 0.00 C ATOM 421 OH TYR A 29 6.143 3.614 5.936 1.00 0.00 O ATOM 0 H TYR A 29 9.109 4.036 0.122 1.00 0.00 H new ATOM 0 HA TYR A 29 7.495 6.252 0.687 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.160 5.203 1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.677 6.812 2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.298 7.019 3.209 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.413 3.338 2.839 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.934 6.057 5.009 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.044 2.370 4.633 1.00 0.00 H new ATOM 0 HH TYR A 29 6.418 2.687 6.093 1.00 0.00 H new ATOM 431 N ASN A 30 10.419 7.080 -0.639 1.00 0.00 N ATOM 432 CA ASN A 30 11.109 8.122 -1.391 1.00 0.00 C ATOM 433 C ASN A 30 10.470 8.317 -2.762 1.00 0.00 C ATOM 434 O ASN A 30 10.623 9.367 -3.387 1.00 0.00 O ATOM 435 CB ASN A 30 12.589 7.770 -1.551 1.00 0.00 C ATOM 436 CG ASN A 30 13.402 8.926 -2.101 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.211 10.077 -1.708 1.00 0.00 O ATOM 438 ND2 ASN A 30 14.315 8.624 -3.016 1.00 0.00 N ATOM 0 H ASN A 30 11.004 6.283 -0.389 1.00 0.00 H new ATOM 0 HA ASN A 30 11.023 9.055 -0.834 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.995 7.471 -0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.686 6.912 -2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.892 9.360 -3.423 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.439 7.656 -3.312 1.00 0.00 H new ATOM 445 N LEU A 31 9.752 7.299 -3.225 1.00 0.00 N ATOM 446 CA LEU A 31 9.089 7.357 -4.522 1.00 0.00 C ATOM 447 C LEU A 31 7.886 8.294 -4.477 1.00 0.00 C ATOM 448 O LEU A 31 7.790 9.238 -5.262 1.00 0.00 O ATOM 449 CB LEU A 31 8.644 5.959 -4.953 1.00 0.00 C ATOM 450 CG LEU A 31 9.716 5.086 -5.608 1.00 0.00 C ATOM 451 CD1 LEU A 31 9.244 3.643 -5.705 1.00 0.00 C ATOM 452 CD2 LEU A 31 10.074 5.625 -6.985 1.00 0.00 C ATOM 0 H LEU A 31 9.615 6.423 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 31 9.802 7.745 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.262 5.435 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.812 6.063 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 31 10.610 5.113 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.020 3.037 -6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.038 3.260 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.335 3.597 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.838 4.992 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.186 5.628 -7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.455 6.642 -6.890 1.00 0.00 H new ATOM 464 N LEU A 32 6.970 8.028 -3.551 1.00 0.00 N ATOM 465 CA LEU A 32 5.774 8.849 -3.401 1.00 0.00 C ATOM 466 C LEU A 32 6.142 10.305 -3.132 1.00 0.00 C ATOM 467 O LEU A 32 5.295 11.194 -3.211 1.00 0.00 O ATOM 468 CB LEU A 32 4.903 8.313 -2.264 1.00 0.00 C ATOM 469 CG LEU A 32 4.017 7.114 -2.605 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.588 6.389 -1.338 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.801 7.560 -3.404 1.00 0.00 C ATOM 0 H LEU A 32 7.033 7.251 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 32 5.212 8.802 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.554 8.034 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.264 9.122 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 32 4.595 6.422 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.958 5.539 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.470 6.036 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.028 7.072 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.182 6.694 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.221 8.273 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.128 8.033 -4.330 1.00 0.00 H new ATOM 483 N MET A 33 7.411 10.540 -2.815 1.00 0.00 N ATOM 484 CA MET A 33 7.892 11.888 -2.538 1.00 0.00 C ATOM 485 C MET A 33 8.527 12.505 -3.780 1.00 0.00 C ATOM 486 O MET A 33 8.553 13.727 -3.936 1.00 0.00 O ATOM 487 CB MET A 33 8.903 11.866 -1.391 1.00 0.00 C ATOM 488 CG MET A 33 8.319 11.381 -0.074 1.00 0.00 C ATOM 489 SD MET A 33 9.137 12.108 1.359 1.00 0.00 S ATOM 490 CE MET A 33 8.928 13.854 1.018 1.00 0.00 C ATOM 0 H MET A 33 8.124 9.815 -2.744 1.00 0.00 H new ATOM 0 HA MET A 33 7.037 12.499 -2.247 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.739 11.223 -1.667 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.305 12.870 -1.253 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.256 11.622 -0.042 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.401 10.295 -0.022 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.836 14.400 1.957 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.793 14.223 0.467 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.028 14.003 0.422 1.00 0.00 H new ATOM 500 N THR A 34 9.039 11.653 -4.663 1.00 0.00 N ATOM 501 CA THR A 34 9.676 12.115 -5.890 1.00 0.00 C ATOM 502 C THR A 34 8.783 11.866 -7.100 1.00 0.00 C ATOM 503 O THR A 34 8.252 12.803 -7.696 1.00 0.00 O ATOM 504 CB THR A 34 11.032 11.419 -6.115 1.00 0.00 C ATOM 505 OG1 THR A 34 10.871 9.998 -6.044 1.00 0.00 O ATOM 506 CG2 THR A 34 12.051 11.872 -5.080 1.00 0.00 C ATOM 0 H THR A 34 9.025 10.639 -4.551 1.00 0.00 H new ATOM 0 HA THR A 34 9.840 13.187 -5.777 1.00 0.00 H new ATOM 0 HB THR A 34 11.397 11.694 -7.105 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.779 9.726 -5.107 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.000 11.367 -5.259 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.193 12.950 -5.157 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.691 11.624 -4.082 1.00 0.00 H new ATOM 514 N VAL A 35 8.619 10.596 -7.457 1.00 0.00 N ATOM 515 CA VAL A 35 7.788 10.224 -8.596 1.00 0.00 C ATOM 516 C VAL A 35 6.323 10.557 -8.339 1.00 0.00 C ATOM 517 O VAL A 35 5.544 10.742 -9.273 1.00 0.00 O ATOM 518 CB VAL A 35 7.913 8.722 -8.915 1.00 0.00 C ATOM 519 CG1 VAL A 35 9.366 8.348 -9.164 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.325 7.887 -7.787 1.00 0.00 C ATOM 0 H VAL A 35 9.050 9.808 -6.974 1.00 0.00 H new ATOM 0 HA VAL A 35 8.145 10.800 -9.450 1.00 0.00 H new ATOM 0 HB VAL A 35 7.348 8.513 -9.824 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.434 7.283 -9.388 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.750 8.921 -10.008 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.956 8.571 -8.275 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.422 6.829 -8.029 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.860 8.098 -6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.271 8.136 -7.662 1.00 0.00 H new ATOM 530 N GLY A 36 5.953 10.632 -7.064 1.00 0.00 N ATOM 531 CA GLY A 36 4.582 10.944 -6.706 1.00 0.00 C ATOM 532 C GLY A 36 4.450 12.298 -6.039 1.00 0.00 C ATOM 533 O GLY A 36 5.414 13.061 -5.973 1.00 0.00 O ATOM 0 H GLY A 36 6.579 10.482 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.962 10.922 -7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.201 10.174 -6.036 1.00 0.00 H new ATOM 537 N GLN A 37 3.254 12.599 -5.544 1.00 0.00 N ATOM 538 CA GLN A 37 3.000 13.872 -4.880 1.00 0.00 C ATOM 539 C GLN A 37 1.638 13.866 -4.193 1.00 0.00 C ATOM 540 O GLN A 37 0.866 12.917 -4.330 1.00 0.00 O ATOM 541 CB GLN A 37 3.070 15.020 -5.889 1.00 0.00 C ATOM 542 CG GLN A 37 3.407 16.363 -5.261 1.00 0.00 C ATOM 543 CD GLN A 37 4.111 17.298 -6.225 1.00 0.00 C ATOM 544 OE1 GLN A 37 3.717 17.424 -7.385 1.00 0.00 O ATOM 545 NE2 GLN A 37 5.159 17.960 -5.749 1.00 0.00 N ATOM 0 H GLN A 37 2.446 11.979 -5.590 1.00 0.00 H new ATOM 0 HA GLN A 37 3.769 14.017 -4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.819 14.783 -6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.112 15.099 -6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.490 16.835 -4.908 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.040 16.203 -4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.451 17.825 -4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.672 18.604 -6.351 1.00 0.00 H new ATOM 554 N VAL A 38 1.349 14.932 -3.454 1.00 0.00 N ATOM 555 CA VAL A 38 0.080 15.050 -2.746 1.00 0.00 C ATOM 556 C VAL A 38 -1.068 14.495 -3.580 1.00 0.00 C ATOM 557 O VAL A 38 -1.119 14.693 -4.794 1.00 0.00 O ATOM 558 CB VAL A 38 -0.226 16.515 -2.382 1.00 0.00 C ATOM 559 CG1 VAL A 38 -1.335 16.588 -1.344 1.00 0.00 C ATOM 560 CG2 VAL A 38 1.030 17.213 -1.882 1.00 0.00 C ATOM 0 H VAL A 38 1.977 15.726 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 38 0.174 14.468 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.568 17.030 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.537 17.631 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.238 16.128 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.026 16.058 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.796 18.247 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.404 16.699 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.792 17.194 -2.661 1.00 0.00 H new ATOM 570 N CYS A 39 -1.989 13.799 -2.921 1.00 0.00 N ATOM 571 CA CYS A 39 -3.138 13.214 -3.602 1.00 0.00 C ATOM 572 C CYS A 39 -2.707 12.060 -4.501 1.00 0.00 C ATOM 573 O CYS A 39 -3.287 11.838 -5.564 1.00 0.00 O ATOM 574 CB CYS A 39 -3.863 14.277 -4.429 1.00 0.00 C ATOM 575 SG CYS A 39 -3.775 15.943 -3.730 1.00 0.00 S ATOM 0 H CYS A 39 -1.962 13.627 -1.916 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.819 12.826 -2.845 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.439 14.293 -5.433 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.910 13.992 -4.530 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.415 16.771 -4.501 1.00 0.00 H new ATOM 581 N SER A 40 -1.686 11.328 -4.067 1.00 0.00 N ATOM 582 CA SER A 40 -1.173 10.199 -4.835 1.00 0.00 C ATOM 583 C SER A 40 -0.996 8.973 -3.945 1.00 0.00 C ATOM 584 O SER A 40 -0.469 9.067 -2.836 1.00 0.00 O ATOM 585 CB SER A 40 0.160 10.565 -5.491 1.00 0.00 C ATOM 586 OG SER A 40 0.031 11.722 -6.298 1.00 0.00 O ATOM 0 H SER A 40 -1.198 11.496 -3.188 1.00 0.00 H new ATOM 0 HA SER A 40 -1.898 9.960 -5.613 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.912 10.737 -4.721 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.511 9.731 -6.099 1.00 0.00 H new ATOM 0 HG SER A 40 0.089 12.522 -5.735 1.00 0.00 H new ATOM 592 N PHE A 41 -1.440 7.822 -4.440 1.00 0.00 N ATOM 593 CA PHE A 41 -1.332 6.576 -3.690 1.00 0.00 C ATOM 594 C PHE A 41 -0.729 5.472 -4.554 1.00 0.00 C ATOM 595 O PHE A 41 -0.489 5.663 -5.747 1.00 0.00 O ATOM 596 CB PHE A 41 -2.708 6.143 -3.178 1.00 0.00 C ATOM 597 CG PHE A 41 -3.557 5.480 -4.225 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.507 4.108 -4.409 1.00 0.00 C ATOM 599 CD2 PHE A 41 -4.403 6.230 -5.025 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.287 3.495 -5.371 1.00 0.00 C ATOM 601 CE2 PHE A 41 -5.186 5.622 -5.989 1.00 0.00 C ATOM 602 CZ PHE A 41 -5.127 4.253 -6.163 1.00 0.00 C ATOM 0 H PHE A 41 -1.878 7.726 -5.356 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.673 6.749 -2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.576 5.457 -2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.235 7.016 -2.794 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.851 3.510 -3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.452 7.301 -4.895 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.240 2.424 -5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.843 6.217 -6.606 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.736 3.776 -6.917 1.00 0.00 H new ATOM 612 N LEU A 42 -0.487 4.317 -3.944 1.00 0.00 N ATOM 613 CA LEU A 42 0.089 3.182 -4.656 1.00 0.00 C ATOM 614 C LEU A 42 -0.070 1.896 -3.851 1.00 0.00 C ATOM 615 O LEU A 42 -0.012 1.911 -2.621 1.00 0.00 O ATOM 616 CB LEU A 42 1.569 3.435 -4.948 1.00 0.00 C ATOM 617 CG LEU A 42 2.534 3.185 -3.788 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.743 1.694 -3.579 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.863 3.883 -4.040 1.00 0.00 C ATOM 0 H LEU A 42 -0.681 4.142 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.446 3.067 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.867 2.803 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.683 4.469 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 42 2.096 3.599 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.432 1.536 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.788 1.221 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.159 1.254 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.537 3.694 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.307 3.499 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.698 4.956 -4.138 1.00 0.00 H new ATOM 631 N VAL A 43 -0.269 0.785 -4.552 1.00 0.00 N ATOM 632 CA VAL A 43 -0.433 -0.510 -3.903 1.00 0.00 C ATOM 633 C VAL A 43 0.812 -1.373 -4.074 1.00 0.00 C ATOM 634 O VAL A 43 1.405 -1.417 -5.153 1.00 0.00 O ATOM 635 CB VAL A 43 -1.651 -1.269 -4.463 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.762 -2.645 -3.825 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.925 -0.466 -4.243 1.00 0.00 C ATOM 0 H VAL A 43 -0.321 0.756 -5.570 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.592 -0.314 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.513 -1.403 -5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.628 -3.166 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.860 -3.219 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.878 -2.538 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.776 -1.016 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.071 -0.300 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.842 0.495 -4.751 1.00 0.00 H new ATOM 647 N ARG A 44 1.203 -2.057 -3.005 1.00 0.00 N ATOM 648 CA ARG A 44 2.379 -2.919 -3.037 1.00 0.00 C ATOM 649 C ARG A 44 2.133 -4.204 -2.253 1.00 0.00 C ATOM 650 O ARG A 44 1.462 -4.212 -1.220 1.00 0.00 O ATOM 651 CB ARG A 44 3.592 -2.183 -2.463 1.00 0.00 C ATOM 652 CG ARG A 44 3.434 -1.795 -1.002 1.00 0.00 C ATOM 653 CD ARG A 44 4.726 -1.230 -0.434 1.00 0.00 C ATOM 654 NE ARG A 44 5.825 -2.188 -0.514 1.00 0.00 N ATOM 655 CZ ARG A 44 6.597 -2.332 -1.585 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.392 -1.583 -2.660 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.578 -3.226 -1.583 1.00 0.00 N ATOM 0 H ARG A 44 0.723 -2.032 -2.105 1.00 0.00 H new ATOM 0 HA ARG A 44 2.579 -3.181 -4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.473 -2.815 -2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.772 -1.283 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.638 -1.056 -0.904 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.131 -2.668 -0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.995 -0.324 -0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.570 -0.944 0.606 1.00 0.00 H new ATOM 0 HE ARG A 44 6.010 -2.779 0.297 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.640 -0.894 -2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.987 -1.696 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.740 -3.804 -0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.170 -3.335 -2.406 1.00 0.00 H new ATOM 671 N PRO A 45 2.686 -5.318 -2.753 1.00 0.00 N ATOM 672 CA PRO A 45 2.541 -6.630 -2.116 1.00 0.00 C ATOM 673 C PRO A 45 3.306 -6.724 -0.800 1.00 0.00 C ATOM 674 O PRO A 45 4.525 -6.558 -0.767 1.00 0.00 O ATOM 675 CB PRO A 45 3.132 -7.594 -3.148 1.00 0.00 C ATOM 676 CG PRO A 45 4.088 -6.766 -3.936 1.00 0.00 C ATOM 677 CD PRO A 45 3.498 -5.383 -3.980 1.00 0.00 C ATOM 0 HA PRO A 45 1.504 -6.844 -1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.637 -8.430 -2.665 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.355 -8.016 -3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.073 -6.756 -3.469 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.216 -7.168 -4.941 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.272 -4.616 -3.990 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.890 -5.234 -4.872 1.00 0.00 H new ATOM 685 N SER A 46 2.583 -6.991 0.282 1.00 0.00 N ATOM 686 CA SER A 46 3.194 -7.103 1.601 1.00 0.00 C ATOM 687 C SER A 46 4.359 -8.088 1.578 1.00 0.00 C ATOM 688 O SER A 46 4.169 -9.287 1.376 1.00 0.00 O ATOM 689 CB SER A 46 2.155 -7.550 2.632 1.00 0.00 C ATOM 690 OG SER A 46 1.420 -6.444 3.128 1.00 0.00 O ATOM 0 H SER A 46 1.573 -7.134 0.272 1.00 0.00 H new ATOM 0 HA SER A 46 3.575 -6.121 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.474 -8.269 2.178 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.653 -8.059 3.457 1.00 0.00 H new ATOM 0 HG SER A 46 0.762 -6.756 3.784 1.00 0.00 H new ATOM 757 N ASP A 52 -0.599 -10.637 1.628 1.00 0.00 N ATOM 758 CA ASP A 52 -1.368 -9.449 1.980 1.00 0.00 C ATOM 759 C ASP A 52 -0.947 -8.256 1.127 1.00 0.00 C ATOM 760 O ASP A 52 -0.135 -8.391 0.211 1.00 0.00 O ATOM 761 CB ASP A 52 -1.189 -9.120 3.463 1.00 0.00 C ATOM 762 CG ASP A 52 -2.196 -9.837 4.340 1.00 0.00 C ATOM 763 OD1 ASP A 52 -2.399 -11.053 4.138 1.00 0.00 O ATOM 764 OD2 ASP A 52 -2.782 -9.183 5.228 1.00 0.00 O ATOM 0 HA ASP A 52 -2.420 -9.657 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.181 -9.394 3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.286 -8.044 3.608 1.00 0.00 H new ATOM 769 N TYR A 53 -1.504 -7.090 1.434 1.00 0.00 N ATOM 770 CA TYR A 53 -1.189 -5.874 0.693 1.00 0.00 C ATOM 771 C TYR A 53 -1.169 -4.662 1.620 1.00 0.00 C ATOM 772 O TYR A 53 -1.637 -4.727 2.756 1.00 0.00 O ATOM 773 CB TYR A 53 -2.206 -5.656 -0.428 1.00 0.00 C ATOM 774 CG TYR A 53 -2.172 -6.728 -1.494 1.00 0.00 C ATOM 775 CD1 TYR A 53 -2.872 -7.917 -1.334 1.00 0.00 C ATOM 776 CD2 TYR A 53 -1.439 -6.551 -2.661 1.00 0.00 C ATOM 777 CE1 TYR A 53 -2.842 -8.900 -2.305 1.00 0.00 C ATOM 778 CE2 TYR A 53 -1.405 -7.527 -3.638 1.00 0.00 C ATOM 779 CZ TYR A 53 -2.108 -8.700 -3.455 1.00 0.00 C ATOM 780 OH TYR A 53 -2.077 -9.675 -4.425 1.00 0.00 O ATOM 0 H TYR A 53 -2.176 -6.961 2.191 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.197 -5.992 0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.206 -5.616 0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.020 -4.688 -0.892 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.450 -8.076 -0.435 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.886 -5.635 -2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.390 -9.820 -2.164 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.831 -7.373 -4.540 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.516 -9.377 -5.171 1.00 0.00 H new ATOM 790 N SER A 54 -0.623 -3.556 1.124 1.00 0.00 N ATOM 791 CA SER A 54 -0.538 -2.329 1.907 1.00 0.00 C ATOM 792 C SER A 54 -0.605 -1.102 1.003 1.00 0.00 C ATOM 793 O SER A 54 0.120 -1.005 0.012 1.00 0.00 O ATOM 794 CB SER A 54 0.758 -2.306 2.720 1.00 0.00 C ATOM 795 OG SER A 54 1.812 -2.942 2.018 1.00 0.00 O ATOM 0 H SER A 54 -0.233 -3.485 0.184 1.00 0.00 H new ATOM 0 HA SER A 54 -1.388 -2.304 2.589 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.034 -1.275 2.941 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.600 -2.805 3.676 1.00 0.00 H new ATOM 0 HG SER A 54 2.629 -2.912 2.558 1.00 0.00 H new ATOM 801 N LEU A 55 -1.482 -0.166 1.351 1.00 0.00 N ATOM 802 CA LEU A 55 -1.646 1.056 0.572 1.00 0.00 C ATOM 803 C LEU A 55 -0.775 2.178 1.128 1.00 0.00 C ATOM 804 O LEU A 55 -0.669 2.352 2.343 1.00 0.00 O ATOM 805 CB LEU A 55 -3.113 1.489 0.568 1.00 0.00 C ATOM 806 CG LEU A 55 -3.548 2.379 -0.597 1.00 0.00 C ATOM 807 CD1 LEU A 55 -4.040 1.533 -1.760 1.00 0.00 C ATOM 808 CD2 LEU A 55 -4.627 3.354 -0.149 1.00 0.00 C ATOM 0 H LEU A 55 -2.090 -0.230 2.167 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.331 0.850 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.735 0.594 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.317 2.018 1.499 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.685 2.953 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.345 2.184 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.238 0.876 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.890 0.931 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.925 3.979 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.492 2.798 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.239 3.984 0.651 1.00 0.00 H new ATOM 820 N TYR A 56 -0.153 2.937 0.232 1.00 0.00 N ATOM 821 CA TYR A 56 0.709 4.042 0.634 1.00 0.00 C ATOM 822 C TYR A 56 0.213 5.361 0.049 1.00 0.00 C ATOM 823 O TYR A 56 0.368 5.622 -1.144 1.00 0.00 O ATOM 824 CB TYR A 56 2.148 3.782 0.185 1.00 0.00 C ATOM 825 CG TYR A 56 2.863 2.742 1.018 1.00 0.00 C ATOM 826 CD1 TYR A 56 2.437 1.420 1.029 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.965 3.082 1.794 1.00 0.00 C ATOM 828 CE1 TYR A 56 3.087 0.466 1.789 1.00 0.00 C ATOM 829 CE2 TYR A 56 4.622 2.135 2.555 1.00 0.00 C ATOM 830 CZ TYR A 56 4.179 0.829 2.550 1.00 0.00 C ATOM 831 OH TYR A 56 4.830 -0.117 3.308 1.00 0.00 O ATOM 0 H TYR A 56 -0.230 2.807 -0.777 1.00 0.00 H new ATOM 0 HA TYR A 56 0.681 4.114 1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.142 3.460 -0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.707 4.717 0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.583 1.133 0.433 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.313 4.104 1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.742 -0.557 1.787 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.478 2.416 3.151 1.00 0.00 H new ATOM 0 HH TYR A 56 5.578 0.302 3.783 1.00 0.00 H new ATOM 841 N PHE A 57 -0.385 6.189 0.898 1.00 0.00 N ATOM 842 CA PHE A 57 -0.905 7.482 0.468 1.00 0.00 C ATOM 843 C PHE A 57 0.038 8.610 0.872 1.00 0.00 C ATOM 844 O PHE A 57 0.737 8.517 1.881 1.00 0.00 O ATOM 845 CB PHE A 57 -2.293 7.722 1.067 1.00 0.00 C ATOM 846 CG PHE A 57 -2.988 8.928 0.503 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.967 9.183 -0.859 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.663 9.807 1.335 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.606 10.292 -1.381 1.00 0.00 C ATOM 850 CE2 PHE A 57 -4.304 10.917 0.819 1.00 0.00 C ATOM 851 CZ PHE A 57 -4.275 11.161 -0.541 1.00 0.00 C ATOM 0 H PHE A 57 -0.522 5.988 1.889 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.983 7.471 -0.619 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.912 6.842 0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.199 7.838 2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.445 8.507 -1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.688 9.622 2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.582 10.479 -2.444 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.827 11.594 1.478 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.774 12.029 -0.946 1.00 0.00 H new ATOM 861 N ARG A 58 0.052 9.676 0.078 1.00 0.00 N ATOM 862 CA ARG A 58 0.911 10.822 0.351 1.00 0.00 C ATOM 863 C ARG A 58 0.079 12.075 0.608 1.00 0.00 C ATOM 864 O ARG A 58 -0.757 12.457 -0.211 1.00 0.00 O ATOM 865 CB ARG A 58 1.866 11.061 -0.819 1.00 0.00 C ATOM 866 CG ARG A 58 2.575 12.404 -0.761 1.00 0.00 C ATOM 867 CD ARG A 58 3.697 12.398 0.265 1.00 0.00 C ATOM 868 NE ARG A 58 4.237 13.736 0.494 1.00 0.00 N ATOM 869 CZ ARG A 58 4.973 14.393 -0.396 1.00 0.00 C ATOM 870 NH1 ARG A 58 5.255 13.839 -1.567 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.429 15.607 -0.114 1.00 0.00 N ATOM 0 H ARG A 58 -0.522 9.770 -0.760 1.00 0.00 H new ATOM 0 HA ARG A 58 1.493 10.603 1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.612 10.266 -0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.307 10.994 -1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.980 12.645 -1.744 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.857 13.185 -0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.326 11.991 1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.495 11.738 -0.075 1.00 0.00 H new ATOM 0 HE ARG A 58 4.038 14.190 1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.907 12.906 -1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.820 14.346 -2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.215 16.036 0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.994 16.111 -0.797 1.00 0.00 H new ATOM 885 N THR A 59 0.314 12.711 1.751 1.00 0.00 N ATOM 886 CA THR A 59 -0.414 13.920 2.117 1.00 0.00 C ATOM 887 C THR A 59 0.544 15.048 2.484 1.00 0.00 C ATOM 888 O THR A 59 1.637 14.806 2.994 1.00 0.00 O ATOM 889 CB THR A 59 -1.367 13.665 3.300 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.630 13.178 4.427 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.445 12.661 2.920 1.00 0.00 C ATOM 0 H THR A 59 1.003 12.409 2.440 1.00 0.00 H new ATOM 0 HA THR A 59 -0.999 14.213 1.246 1.00 0.00 H new ATOM 0 HB THR A 59 -1.847 14.608 3.561 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.002 12.485 4.133 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.106 12.497 3.771 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.023 13.048 2.081 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.979 11.718 2.635 1.00 0.00 H new ATOM 899 N ASN A 60 0.125 16.282 2.223 1.00 0.00 N ATOM 900 CA ASN A 60 0.946 17.448 2.526 1.00 0.00 C ATOM 901 C ASN A 60 1.597 17.312 3.899 1.00 0.00 C ATOM 902 O ASN A 60 2.713 17.783 4.116 1.00 0.00 O ATOM 903 CB ASN A 60 0.099 18.721 2.475 1.00 0.00 C ATOM 904 CG ASN A 60 -1.335 18.479 2.905 1.00 0.00 C ATOM 905 OD1 ASN A 60 -1.600 18.139 4.058 1.00 0.00 O ATOM 906 ND2 ASN A 60 -2.268 18.654 1.977 1.00 0.00 N ATOM 0 H ASN A 60 -0.778 16.500 1.802 1.00 0.00 H new ATOM 0 HA ASN A 60 1.733 17.513 1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.546 19.478 3.120 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.109 19.120 1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.251 18.506 2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.002 18.936 1.034 1.00 0.00 H new ATOM 913 N GLU A 61 0.892 16.665 4.821 1.00 0.00 N ATOM 914 CA GLU A 61 1.403 16.467 6.173 1.00 0.00 C ATOM 915 C GLU A 61 2.521 15.429 6.186 1.00 0.00 C ATOM 916 O GLU A 61 3.671 15.744 6.490 1.00 0.00 O ATOM 917 CB GLU A 61 0.274 16.029 7.109 1.00 0.00 C ATOM 918 CG GLU A 61 -0.512 17.188 7.698 1.00 0.00 C ATOM 919 CD GLU A 61 0.337 18.080 8.583 1.00 0.00 C ATOM 920 OE1 GLU A 61 0.581 17.702 9.748 1.00 0.00 O ATOM 921 OE2 GLU A 61 0.757 19.156 8.110 1.00 0.00 O ATOM 0 H GLU A 61 -0.034 16.269 4.657 1.00 0.00 H new ATOM 0 HA GLU A 61 1.809 17.416 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.409 15.379 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.696 15.437 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.936 17.783 6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.348 16.797 8.278 1.00 0.00 H new ATOM 928 N ASN A 62 2.174 14.190 5.855 1.00 0.00 N ATOM 929 CA ASN A 62 3.147 13.104 5.829 1.00 0.00 C ATOM 930 C ASN A 62 2.585 11.886 5.102 1.00 0.00 C ATOM 931 O ASN A 62 1.406 11.851 4.749 1.00 0.00 O ATOM 932 CB ASN A 62 3.551 12.719 7.254 1.00 0.00 C ATOM 933 CG ASN A 62 4.908 12.046 7.309 1.00 0.00 C ATOM 934 OD1 ASN A 62 5.022 10.885 7.702 1.00 0.00 O ATOM 935 ND2 ASN A 62 5.946 12.774 6.913 1.00 0.00 N ATOM 0 H ASN A 62 1.226 13.913 5.601 1.00 0.00 H new ATOM 0 HA ASN A 62 4.028 13.452 5.290 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.566 13.612 7.878 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.800 12.050 7.673 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.884 12.374 6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.805 13.733 6.595 1.00 0.00 H new ATOM 942 N ILE A 63 3.437 10.891 4.881 1.00 0.00 N ATOM 943 CA ILE A 63 3.025 9.671 4.197 1.00 0.00 C ATOM 944 C ILE A 63 2.409 8.675 5.173 1.00 0.00 C ATOM 945 O ILE A 63 2.979 8.389 6.226 1.00 0.00 O ATOM 946 CB ILE A 63 4.211 9.001 3.478 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.686 9.871 2.312 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.818 7.616 2.986 1.00 0.00 C ATOM 949 CD1 ILE A 63 6.131 9.633 1.931 1.00 0.00 C ATOM 0 H ILE A 63 4.416 10.905 5.165 1.00 0.00 H new ATOM 0 HA ILE A 63 2.279 9.961 3.457 1.00 0.00 H new ATOM 0 HB ILE A 63 5.033 8.894 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.054 9.680 1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.556 10.921 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.666 7.155 2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.523 6.999 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.983 7.700 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.399 10.283 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.773 9.852 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.263 8.592 1.636 1.00 0.00 H new ATOM 961 N GLN A 64 1.242 8.149 4.815 1.00 0.00 N ATOM 962 CA GLN A 64 0.548 7.184 5.660 1.00 0.00 C ATOM 963 C GLN A 64 0.738 5.765 5.134 1.00 0.00 C ATOM 964 O GLN A 64 1.476 5.542 4.174 1.00 0.00 O ATOM 965 CB GLN A 64 -0.943 7.517 5.734 1.00 0.00 C ATOM 966 CG GLN A 64 -1.225 8.988 5.994 1.00 0.00 C ATOM 967 CD GLN A 64 -2.664 9.367 5.704 1.00 0.00 C ATOM 968 OE1 GLN A 64 -2.855 10.484 5.012 1.00 0.00 O flip ATOM 969 NE2 GLN A 64 -3.594 8.663 6.097 1.00 0.00 N flip ATOM 0 H GLN A 64 0.757 8.375 3.946 1.00 0.00 H new ATOM 0 HA GLN A 64 0.976 7.242 6.661 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.419 7.224 4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.401 6.922 6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.995 9.220 7.034 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.562 9.595 5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.402 7.812 6.626 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.557 8.930 5.894 1.00 0.00 H new ATOM 978 N ARG A 65 0.068 4.809 5.769 1.00 0.00 N ATOM 979 CA ARG A 65 0.165 3.411 5.366 1.00 0.00 C ATOM 980 C ARG A 65 -1.029 2.613 5.881 1.00 0.00 C ATOM 981 O ARG A 65 -1.210 2.456 7.089 1.00 0.00 O ATOM 982 CB ARG A 65 1.466 2.797 5.886 1.00 0.00 C ATOM 983 CG ARG A 65 1.767 1.425 5.304 1.00 0.00 C ATOM 984 CD ARG A 65 2.691 0.626 6.210 1.00 0.00 C ATOM 985 NE ARG A 65 2.894 -0.734 5.721 1.00 0.00 N ATOM 986 CZ ARG A 65 3.830 -1.552 6.191 1.00 0.00 C ATOM 987 NH1 ARG A 65 4.644 -1.148 7.156 1.00 0.00 N ATOM 988 NH2 ARG A 65 3.953 -2.776 5.694 1.00 0.00 N ATOM 0 H ARG A 65 -0.548 4.977 6.565 1.00 0.00 H new ATOM 0 HA ARG A 65 0.163 3.372 4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.293 3.469 5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.412 2.718 6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.836 0.878 5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.227 1.538 4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.653 1.132 6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.272 0.591 7.215 1.00 0.00 H new ATOM 0 HE ARG A 65 2.284 -1.075 4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.553 -0.207 7.540 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.362 -1.778 7.515 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.329 -3.090 4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.672 -3.403 6.055 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.842 2.111 4.957 1.00 0.00 N ATOM 1003 CA PHE A 66 -3.019 1.330 5.317 1.00 0.00 C ATOM 1004 C PHE A 66 -2.718 -0.164 5.266 1.00 0.00 C ATOM 1005 O PHE A 66 -1.692 -0.585 4.731 1.00 0.00 O ATOM 1006 CB PHE A 66 -4.182 1.660 4.379 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.705 3.059 4.541 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -5.549 3.380 5.592 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -4.353 4.052 3.641 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -6.031 4.667 5.744 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -4.832 5.340 3.788 1.00 0.00 C ATOM 1012 CZ PHE A 66 -5.673 5.648 4.840 1.00 0.00 C ATOM 0 H PHE A 66 -1.707 2.231 3.953 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.299 1.591 6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.858 1.519 3.348 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.993 0.954 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.834 2.616 6.301 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.697 3.817 2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.687 4.905 6.569 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.549 6.106 3.081 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.050 6.654 4.955 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.619 -0.963 5.827 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.452 -2.412 5.846 1.00 0.00 C ATOM 1024 C LYS A 67 -4.605 -3.102 5.125 1.00 0.00 C ATOM 1025 O LYS A 67 -5.773 -2.867 5.436 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.362 -2.917 7.288 1.00 0.00 C ATOM 1027 CG LYS A 67 -4.676 -2.830 8.045 1.00 0.00 C ATOM 1028 CD LYS A 67 -4.505 -3.219 9.504 1.00 0.00 C ATOM 1029 CE LYS A 67 -4.563 -4.728 9.689 1.00 0.00 C ATOM 1030 NZ LYS A 67 -3.777 -5.172 10.873 1.00 0.00 N ATOM 0 H LYS A 67 -4.473 -0.632 6.275 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.525 -2.653 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.024 -3.953 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.607 -2.339 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.067 -1.815 7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.411 -3.485 7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.551 -2.843 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.286 -2.748 10.101 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.601 -5.040 9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.180 -5.219 8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.842 -6.206 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.781 -4.897 10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.158 -4.724 11.731 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.270 -3.955 4.163 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.278 -4.680 3.400 1.00 0.00 C ATOM 1046 C ILE A 68 -5.098 -6.187 3.546 1.00 0.00 C ATOM 1047 O ILE A 68 -4.309 -6.801 2.826 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.229 -4.310 1.906 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.414 -2.802 1.725 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.293 -5.077 1.135 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -5.275 -2.344 0.290 1.00 0.00 C ATOM 0 H ILE A 68 -3.308 -4.161 3.894 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.248 -4.391 3.804 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.252 -4.587 1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.399 -2.518 2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.680 -2.278 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.246 -4.805 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.119 -6.148 1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.278 -4.829 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.418 -1.265 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.280 -2.597 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.026 -2.840 -0.325 1.00 0.00 H new ATOM 1063 N CYS A 69 -5.836 -6.778 4.479 1.00 0.00 N ATOM 1064 CA CYS A 69 -5.759 -8.215 4.718 1.00 0.00 C ATOM 1065 C CYS A 69 -6.748 -8.968 3.834 1.00 0.00 C ATOM 1066 O CYS A 69 -7.870 -8.521 3.596 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.035 -8.524 6.190 1.00 0.00 C ATOM 1068 SG CYS A 69 -4.635 -8.201 7.288 1.00 0.00 S ATOM 0 H CYS A 69 -6.494 -6.285 5.082 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.751 -8.546 4.467 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.887 -7.930 6.521 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.321 -9.572 6.283 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.533 -8.574 6.708 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.323 -10.137 3.332 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.155 -10.976 2.465 1.00 0.00 C ATOM 1076 C PRO A 70 -8.320 -11.610 3.217 1.00 0.00 C ATOM 1077 O PRO A 70 -8.206 -11.937 4.399 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.184 -12.054 1.976 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.136 -12.126 3.032 1.00 0.00 C ATOM 1080 CD PRO A 70 -4.997 -10.730 3.574 1.00 0.00 C ATOM 0 HA PRO A 70 -7.615 -10.401 1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.687 -13.013 1.851 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.755 -11.791 1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.423 -12.823 3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.191 -12.481 2.620 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.746 -10.734 4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.210 -10.177 3.062 1.00 0.00 H new ATOM 1088 N THR A 71 -9.442 -11.782 2.525 1.00 0.00 N ATOM 1089 CA THR A 71 -10.628 -12.377 3.127 1.00 0.00 C ATOM 1090 C THR A 71 -10.962 -13.715 2.479 1.00 0.00 C ATOM 1091 O THR A 71 -10.690 -13.947 1.301 1.00 0.00 O ATOM 1092 CB THR A 71 -11.848 -11.443 3.007 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.154 -11.212 1.628 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.583 -10.116 3.702 1.00 0.00 C ATOM 0 H THR A 71 -9.554 -11.517 1.546 1.00 0.00 H new ATOM 0 HA THR A 71 -10.401 -12.534 4.182 1.00 0.00 H new ATOM 0 HB THR A 71 -12.697 -11.926 3.491 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.323 -11.180 1.109 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.458 -9.473 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.379 -10.293 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.722 -9.630 3.242 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.567 -14.619 3.264 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.952 -15.951 2.787 1.00 0.00 C ATOM 1104 C PRO A 72 -13.106 -15.898 1.792 1.00 0.00 C ATOM 1105 O PRO A 72 -13.572 -16.931 1.312 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.381 -16.676 4.065 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.801 -15.589 4.994 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.921 -14.411 4.678 1.00 0.00 C ATOM 0 HA PRO A 72 -11.139 -16.444 2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.199 -17.369 3.871 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.561 -17.260 4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.853 -15.340 4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.683 -15.896 6.033 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.445 -13.467 4.826 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.036 -14.388 5.314 1.00 0.00 H new ATOM 1116 N ASN A 73 -13.563 -14.688 1.486 1.00 0.00 N ATOM 1117 CA ASN A 73 -14.664 -14.501 0.547 1.00 0.00 C ATOM 1118 C ASN A 73 -14.177 -13.837 -0.737 1.00 0.00 C ATOM 1119 O ASN A 73 -14.864 -12.993 -1.310 1.00 0.00 O ATOM 1120 CB ASN A 73 -15.768 -13.656 1.185 1.00 0.00 C ATOM 1121 CG ASN A 73 -16.365 -14.316 2.413 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -15.842 -15.313 2.912 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -17.466 -13.762 2.906 1.00 0.00 N ATOM 0 H ASN A 73 -13.188 -13.822 1.874 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.066 -15.483 0.297 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.363 -12.682 1.460 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.555 -13.479 0.452 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.913 -14.162 3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.865 -12.936 2.460 1.00 0.00 H new ATOM 1130 N ASN A 74 -12.986 -14.224 -1.183 1.00 0.00 N ATOM 1131 CA ASN A 74 -12.407 -13.666 -2.399 1.00 0.00 C ATOM 1132 C ASN A 74 -12.579 -12.151 -2.438 1.00 0.00 C ATOM 1133 O ASN A 74 -13.063 -11.597 -3.425 1.00 0.00 O ATOM 1134 CB ASN A 74 -13.055 -14.296 -3.633 1.00 0.00 C ATOM 1135 CG ASN A 74 -12.117 -14.333 -4.824 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -10.951 -14.706 -4.699 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -12.623 -13.943 -5.988 1.00 0.00 N ATOM 0 H ASN A 74 -12.403 -14.922 -0.720 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.341 -13.893 -2.401 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.375 -15.310 -3.394 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.951 -13.733 -3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.039 -13.945 -6.824 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.596 -13.641 -6.046 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.179 -11.487 -1.358 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.289 -10.036 -1.270 1.00 0.00 C ATOM 1146 C GLN A 75 -11.162 -9.455 -0.422 1.00 0.00 C ATOM 1147 O GLN A 75 -10.333 -10.190 0.116 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.643 -9.642 -0.678 1.00 0.00 C ATOM 1149 CG GLN A 75 -14.802 -9.806 -1.648 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.146 -9.526 -1.005 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.222 -9.173 0.173 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.216 -9.682 -1.775 1.00 0.00 N ATOM 0 H GLN A 75 -11.776 -11.931 -0.533 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.208 -9.629 -2.278 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.833 -10.248 0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.599 -8.603 -0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.661 -9.133 -2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.798 -10.821 -2.045 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.107 -9.976 -2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -18.147 -9.508 -1.396 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.137 -8.132 -0.307 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.110 -7.452 0.474 1.00 0.00 C ATOM 1163 C PHE A 76 -10.739 -6.585 1.561 1.00 0.00 C ATOM 1164 O PHE A 76 -11.827 -6.038 1.382 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.233 -6.590 -0.437 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.395 -7.390 -1.393 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -8.985 -8.093 -2.432 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -7.017 -7.439 -1.255 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -8.217 -8.830 -3.312 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -6.243 -8.174 -2.133 1.00 0.00 C ATOM 1171 CZ PHE A 76 -6.844 -8.870 -3.164 1.00 0.00 C ATOM 0 H PHE A 76 -11.816 -7.509 -0.744 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.490 -8.211 0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.869 -5.911 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.579 -5.973 0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.058 -8.064 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.542 -6.896 -0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.690 -9.375 -4.116 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.170 -8.204 -2.013 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.242 -9.444 -3.853 1.00 0.00 H new ATOM 1181 N MET A 77 -10.045 -6.465 2.689 1.00 0.00 N ATOM 1182 CA MET A 77 -10.535 -5.665 3.805 1.00 0.00 C ATOM 1183 C MET A 77 -9.653 -4.439 4.024 1.00 0.00 C ATOM 1184 O MET A 77 -8.428 -4.544 4.061 1.00 0.00 O ATOM 1185 CB MET A 77 -10.584 -6.507 5.081 1.00 0.00 C ATOM 1186 CG MET A 77 -11.913 -7.214 5.292 1.00 0.00 C ATOM 1187 SD MET A 77 -11.827 -8.489 6.564 1.00 0.00 S ATOM 1188 CE MET A 77 -10.849 -7.656 7.812 1.00 0.00 C ATOM 0 H MET A 77 -9.143 -6.911 2.854 1.00 0.00 H new ATOM 0 HA MET A 77 -11.543 -5.327 3.563 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.788 -7.251 5.047 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.383 -5.865 5.938 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.670 -6.481 5.569 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.234 -7.664 4.353 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.957 -8.174 8.765 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.800 -7.658 7.514 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.194 -6.627 7.918 1.00 0.00 H new ATOM 1198 N MET A 78 -10.285 -3.279 4.167 1.00 0.00 N ATOM 1199 CA MET A 78 -9.556 -2.034 4.383 1.00 0.00 C ATOM 1200 C MET A 78 -10.260 -1.165 5.420 1.00 0.00 C ATOM 1201 O MET A 78 -11.350 -0.649 5.175 1.00 0.00 O ATOM 1202 CB MET A 78 -9.416 -1.266 3.067 1.00 0.00 C ATOM 1203 CG MET A 78 -8.307 -0.226 3.086 1.00 0.00 C ATOM 1204 SD MET A 78 -7.894 0.379 1.439 1.00 0.00 S ATOM 1205 CE MET A 78 -7.501 2.090 1.796 1.00 0.00 C ATOM 0 H MET A 78 -11.299 -3.175 4.137 1.00 0.00 H new ATOM 0 HA MET A 78 -8.563 -2.283 4.758 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.225 -1.974 2.261 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.362 -0.773 2.841 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.612 0.613 3.711 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.417 -0.658 3.544 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.573 2.678 0.881 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.203 2.478 2.533 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.487 2.156 2.191 1.00 0.00 H new ATOM 1215 N GLY A 79 -9.630 -1.008 6.580 1.00 0.00 N ATOM 1216 CA GLY A 79 -10.211 -0.201 7.637 1.00 0.00 C ATOM 1217 C GLY A 79 -11.576 -0.703 8.066 1.00 0.00 C ATOM 1218 O GLY A 79 -12.503 0.083 8.254 1.00 0.00 O ATOM 0 H GLY A 79 -8.727 -1.425 6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.542 -0.198 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.297 0.831 7.296 1.00 0.00 H new ATOM 1222 N GLY A 80 -11.700 -2.018 8.219 1.00 0.00 N ATOM 1223 CA GLY A 80 -12.965 -2.601 8.625 1.00 0.00 C ATOM 1224 C GLY A 80 -14.002 -2.562 7.521 1.00 0.00 C ATOM 1225 O GLY A 80 -15.203 -2.509 7.790 1.00 0.00 O ATOM 0 H GLY A 80 -10.947 -2.690 8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.804 -3.635 8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.345 -2.066 9.495 1.00 0.00 H new ATOM 1229 N ARG A 81 -13.540 -2.586 6.275 1.00 0.00 N ATOM 1230 CA ARG A 81 -14.437 -2.550 5.126 1.00 0.00 C ATOM 1231 C ARG A 81 -14.340 -3.842 4.320 1.00 0.00 C ATOM 1232 O ARG A 81 -13.516 -4.709 4.614 1.00 0.00 O ATOM 1233 CB ARG A 81 -14.107 -1.353 4.233 1.00 0.00 C ATOM 1234 CG ARG A 81 -14.017 -0.037 4.987 1.00 0.00 C ATOM 1235 CD ARG A 81 -15.385 0.607 5.150 1.00 0.00 C ATOM 1236 NE ARG A 81 -16.039 0.197 6.390 1.00 0.00 N ATOM 1237 CZ ARG A 81 -17.161 0.744 6.845 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -17.750 1.717 6.165 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -17.695 0.316 7.981 1.00 0.00 N ATOM 0 H ARG A 81 -12.550 -2.630 6.035 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.457 -2.449 5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.159 -1.538 3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.869 -1.267 3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.575 -0.208 5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.354 0.644 4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.279 1.692 5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.015 0.339 4.302 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.611 -0.550 6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.342 2.047 5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.611 2.136 6.516 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.244 -0.433 8.506 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.556 0.736 8.330 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.187 -3.964 3.305 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.200 -5.151 2.458 1.00 0.00 C ATOM 1255 C TYR A 82 -15.608 -4.798 1.031 1.00 0.00 C ATOM 1256 O TYR A 82 -16.761 -4.457 0.769 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.155 -6.200 3.029 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.124 -6.290 4.538 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.215 -7.119 5.185 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.003 -5.548 5.316 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.184 -7.205 6.564 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -16.978 -5.627 6.695 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.066 -6.457 7.314 1.00 0.00 C ATOM 1264 OH TYR A 82 -16.039 -6.539 8.688 1.00 0.00 O ATOM 0 H TYR A 82 -15.874 -3.255 3.048 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.191 -5.562 2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.170 -5.968 2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.904 -7.174 2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.522 -7.705 4.601 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -17.719 -4.898 4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.472 -7.855 7.051 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -17.668 -5.042 7.285 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.724 -5.948 9.065 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.653 -4.884 0.112 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.911 -4.572 -1.289 1.00 0.00 C ATOM 1276 C TYR A 83 -14.711 -5.804 -2.167 1.00 0.00 C ATOM 1277 O TYR A 83 -14.087 -6.780 -1.753 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.992 -3.443 -1.760 1.00 0.00 C ATOM 1279 CG TYR A 83 -14.160 -2.160 -0.978 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.544 -1.990 0.256 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.935 -1.119 -1.473 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -13.696 -0.820 0.974 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -15.091 0.055 -0.762 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.470 0.200 0.461 1.00 0.00 C ATOM 1285 OH TYR A 83 -14.623 1.368 1.172 1.00 0.00 O ATOM 0 H TYR A 83 -13.694 -5.167 0.312 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.948 -4.249 -1.377 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.956 -3.773 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.185 -3.244 -2.814 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -12.936 -2.786 0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -15.424 -1.229 -2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.211 -0.704 1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.696 0.855 -1.162 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.197 1.984 0.670 1.00 0.00 H new ATOM 1295 N ASN A 84 -15.248 -5.750 -3.382 1.00 0.00 N ATOM 1296 CA ASN A 84 -15.130 -6.861 -4.320 1.00 0.00 C ATOM 1297 C ASN A 84 -13.665 -7.172 -4.613 1.00 0.00 C ATOM 1298 O ASN A 84 -13.251 -8.331 -4.598 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.864 -6.536 -5.622 1.00 0.00 C ATOM 1300 CG ASN A 84 -17.366 -6.450 -5.433 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -17.857 -5.662 -4.624 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -18.104 -7.264 -6.179 1.00 0.00 N ATOM 0 H ASN A 84 -15.769 -4.949 -3.740 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.585 -7.740 -3.863 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.495 -5.589 -6.017 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.637 -7.301 -6.364 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -19.120 -7.252 -6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.654 -7.901 -6.837 1.00 0.00 H new ATOM 1309 N SER A 85 -12.886 -6.129 -4.878 1.00 0.00 N ATOM 1310 CA SER A 85 -11.468 -6.291 -5.178 1.00 0.00 C ATOM 1311 C SER A 85 -10.727 -4.964 -5.035 1.00 0.00 C ATOM 1312 O SER A 85 -11.346 -3.905 -4.929 1.00 0.00 O ATOM 1313 CB SER A 85 -11.283 -6.841 -6.593 1.00 0.00 C ATOM 1314 OG SER A 85 -11.755 -5.921 -7.563 1.00 0.00 O ATOM 0 H SER A 85 -13.212 -5.163 -4.891 1.00 0.00 H new ATOM 0 HA SER A 85 -11.050 -7.000 -4.463 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.228 -7.052 -6.770 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.818 -7.786 -6.692 1.00 0.00 H new ATOM 0 HG SER A 85 -11.624 -6.295 -8.459 1.00 0.00 H new ATOM 1320 N ILE A 86 -9.401 -5.032 -5.033 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.576 -3.837 -4.905 1.00 0.00 C ATOM 1322 C ILE A 86 -9.015 -2.757 -5.887 1.00 0.00 C ATOM 1323 O ILE A 86 -9.484 -1.692 -5.487 1.00 0.00 O ATOM 1324 CB ILE A 86 -7.087 -4.153 -5.139 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.574 -5.121 -4.072 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -6.266 -2.872 -5.138 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -5.065 -5.222 -4.021 1.00 0.00 C ATOM 0 H ILE A 86 -8.874 -5.901 -5.119 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.706 -3.472 -3.886 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.982 -4.628 -6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.942 -4.802 -3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.990 -6.111 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.216 -3.113 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.618 -2.214 -5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.375 -2.371 -4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.774 -5.926 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.691 -5.571 -4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.642 -4.242 -3.801 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.862 -3.040 -7.177 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.250 -2.084 -8.198 1.00 0.00 C ATOM 1341 C GLY A 87 -10.490 -1.300 -7.817 1.00 0.00 C ATOM 1342 O GLY A 87 -10.567 -0.094 -8.052 1.00 0.00 O ATOM 0 H GLY A 87 -8.476 -3.914 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.427 -1.392 -8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.431 -2.611 -9.135 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.464 -1.986 -7.229 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.707 -1.347 -6.815 1.00 0.00 C ATOM 1348 C ASP A 88 -12.460 -0.365 -5.675 1.00 0.00 C ATOM 1349 O ASP A 88 -12.792 0.817 -5.777 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.729 -2.401 -6.384 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.508 -2.965 -7.556 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -13.920 -3.099 -8.650 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.705 -3.273 -7.379 1.00 0.00 O ATOM 0 H ASP A 88 -11.416 -2.985 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.103 -0.795 -7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.215 -3.212 -5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.423 -1.959 -5.669 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.877 -0.861 -4.589 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.586 -0.027 -3.430 1.00 0.00 C ATOM 1360 C ILE A 89 -11.191 1.384 -3.853 1.00 0.00 C ATOM 1361 O ILE A 89 -11.631 2.368 -3.257 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.457 -0.628 -2.572 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.876 -1.993 -2.022 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -10.092 0.317 -1.438 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.827 -2.639 -1.144 1.00 0.00 C ATOM 0 H ILE A 89 -11.597 -1.837 -4.488 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.499 0.016 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.577 -0.765 -3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.796 -1.878 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.100 -2.658 -2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.293 -0.122 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.756 1.268 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.966 0.484 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.192 -3.603 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.912 -2.786 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.620 -1.994 -0.290 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.360 1.475 -4.886 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.908 2.766 -5.391 1.00 0.00 C ATOM 1379 C ILE A 90 -11.055 3.534 -6.040 1.00 0.00 C ATOM 1380 O ILE A 90 -11.409 4.628 -5.601 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.770 2.602 -6.415 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.552 1.950 -5.757 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.397 3.951 -7.012 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -6.666 1.206 -6.731 1.00 0.00 C ATOM 0 H ILE A 90 -9.986 0.671 -5.389 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.536 3.328 -4.534 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.116 1.953 -7.220 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.963 2.720 -5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.892 1.258 -4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.591 3.819 -7.734 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.265 4.380 -7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.067 4.621 -6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.823 0.770 -6.196 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.239 0.414 -7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.296 1.898 -7.488 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.631 2.952 -7.086 1.00 0.00 N ATOM 1397 CA ASP A 91 -12.740 3.581 -7.795 1.00 0.00 C ATOM 1398 C ASP A 91 -13.778 4.117 -6.813 1.00 0.00 C ATOM 1399 O ASP A 91 -14.448 5.114 -7.086 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.393 2.581 -8.751 1.00 0.00 C ATOM 1401 CG ASP A 91 -14.236 3.262 -9.812 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -15.433 3.507 -9.553 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -13.697 3.550 -10.901 1.00 0.00 O ATOM 0 H ASP A 91 -11.349 2.047 -7.462 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.344 4.418 -8.371 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.619 1.985 -9.233 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.017 1.892 -8.182 1.00 0.00 H new ATOM 1408 N HIS A 92 -13.905 3.450 -5.671 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.862 3.860 -4.649 1.00 0.00 C ATOM 1410 C HIS A 92 -14.355 5.083 -3.890 1.00 0.00 C ATOM 1411 O HIS A 92 -15.077 6.067 -3.726 1.00 0.00 O ATOM 1412 CB HIS A 92 -15.122 2.712 -3.674 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.407 2.848 -2.917 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -16.514 3.549 -1.735 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -17.645 2.369 -3.181 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.761 3.494 -1.304 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -18.468 2.784 -2.164 1.00 0.00 N ATOM 0 H HIS A 92 -13.358 2.624 -5.430 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.796 4.123 -5.145 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.133 1.773 -4.227 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.296 2.655 -2.965 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -17.932 1.771 -4.034 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -18.138 3.952 -0.402 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -19.464 2.578 -2.085 1.00 0.00 H new ATOM 1425 N TYR A 93 -13.112 5.013 -3.428 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.510 6.113 -2.684 1.00 0.00 C ATOM 1427 C TYR A 93 -12.554 7.406 -3.492 1.00 0.00 C ATOM 1428 O TYR A 93 -12.641 8.499 -2.932 1.00 0.00 O ATOM 1429 CB TYR A 93 -11.064 5.777 -2.316 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.935 4.965 -1.047 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.649 5.307 0.095 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.099 3.857 -0.990 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.533 4.569 1.257 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -9.978 3.112 0.167 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.697 3.472 1.288 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.580 2.734 2.443 1.00 0.00 O ATOM 0 H TYR A 93 -12.501 4.206 -3.555 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.086 6.258 -1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.607 5.226 -3.138 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.502 6.704 -2.203 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.306 6.164 0.074 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.534 3.573 -1.865 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.094 4.849 2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.324 2.253 0.194 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.243 1.840 2.227 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.493 7.273 -4.813 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.525 8.430 -5.700 1.00 0.00 C ATOM 1448 C ARG A 94 -13.794 9.248 -5.481 1.00 0.00 C ATOM 1449 O ARG A 94 -13.911 10.374 -5.963 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.439 7.982 -7.160 1.00 0.00 C ATOM 1451 CG ARG A 94 -11.141 7.271 -7.504 1.00 0.00 C ATOM 1452 CD ARG A 94 -11.121 6.819 -8.956 1.00 0.00 C ATOM 1453 NE ARG A 94 -9.932 6.029 -9.267 1.00 0.00 N ATOM 1454 CZ ARG A 94 -9.813 5.278 -10.356 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -10.805 5.216 -11.234 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -8.700 4.589 -10.570 1.00 0.00 N ATOM 0 H ARG A 94 -12.421 6.376 -5.293 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.665 9.058 -5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.276 7.318 -7.377 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.548 8.854 -7.806 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.299 7.938 -7.318 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.014 6.407 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.013 6.229 -9.164 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.157 7.692 -9.608 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.151 6.056 -8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.662 5.746 -11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.711 4.639 -12.070 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.934 4.635 -9.898 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.610 4.013 -11.407 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.743 8.673 -4.750 1.00 0.00 N ATOM 1471 CA LYS A 95 -16.005 9.347 -4.466 1.00 0.00 C ATOM 1472 C LYS A 95 -16.136 9.650 -2.977 1.00 0.00 C ATOM 1473 O LYS A 95 -16.766 10.633 -2.588 1.00 0.00 O ATOM 1474 CB LYS A 95 -17.183 8.487 -4.928 1.00 0.00 C ATOM 1475 CG LYS A 95 -17.253 8.310 -6.435 1.00 0.00 C ATOM 1476 CD LYS A 95 -16.459 7.099 -6.892 1.00 0.00 C ATOM 1477 CE LYS A 95 -16.934 6.600 -8.249 1.00 0.00 C ATOM 1478 NZ LYS A 95 -16.444 7.463 -9.359 1.00 0.00 N ATOM 0 H LYS A 95 -14.662 7.741 -4.343 1.00 0.00 H new ATOM 0 HA LYS A 95 -16.016 10.289 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.112 7.506 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -18.111 8.940 -4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -18.293 8.201 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -16.869 9.204 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.401 7.356 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -16.555 6.301 -6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.586 5.578 -8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -18.024 6.572 -8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.789 7.090 -10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.797 8.432 -9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.404 7.470 -9.360 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.535 8.801 -2.149 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.585 8.980 -0.703 1.00 0.00 C ATOM 1494 C GLU A 96 -14.181 9.130 -0.124 1.00 0.00 C ATOM 1495 O GLU A 96 -13.388 8.189 -0.143 1.00 0.00 O ATOM 1496 CB GLU A 96 -16.296 7.796 -0.045 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.797 7.781 -0.278 1.00 0.00 C ATOM 1498 CD GLU A 96 -18.528 6.864 0.683 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.981 5.789 1.009 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -19.646 7.220 1.110 1.00 0.00 O ATOM 0 H GLU A 96 -15.008 7.983 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 96 -16.144 9.892 -0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.868 6.869 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -16.104 7.818 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -18.187 8.794 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.999 7.464 -1.301 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.883 10.320 0.388 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.574 10.594 0.971 1.00 0.00 C ATOM 1509 C GLN A 97 -12.088 9.408 1.798 1.00 0.00 C ATOM 1510 O GLN A 97 -12.826 8.873 2.627 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.634 11.849 1.842 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.872 11.922 2.721 1.00 0.00 C ATOM 1513 CD GLN A 97 -14.305 13.348 3.002 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -15.331 13.807 2.500 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -13.523 14.056 3.808 1.00 0.00 N ATOM 0 H GLN A 97 -14.529 11.109 0.411 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.868 10.759 0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.747 11.885 2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.603 12.729 1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.689 11.387 2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.673 11.414 3.665 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.682 13.635 4.202 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.764 15.021 4.034 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.844 9.003 1.568 1.00 0.00 N ATOM 1525 CA ILE A 98 -10.260 7.882 2.293 1.00 0.00 C ATOM 1526 C ILE A 98 -9.671 8.335 3.625 1.00 0.00 C ATOM 1527 O ILE A 98 -9.432 7.523 4.519 1.00 0.00 O ATOM 1528 CB ILE A 98 -9.160 7.189 1.467 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.419 6.161 2.325 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -8.189 8.218 0.909 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.455 5.300 1.539 1.00 0.00 C ATOM 0 H ILE A 98 -10.221 9.434 0.885 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.066 7.172 2.478 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.628 6.668 0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.871 6.682 3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.148 5.518 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.418 7.713 0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.727 8.916 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.725 8.764 1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.966 4.595 2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.000 4.751 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.703 5.933 1.067 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.440 9.638 3.751 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.882 10.201 4.974 1.00 0.00 C ATOM 1545 C VAL A 99 -9.817 11.243 5.577 1.00 0.00 C ATOM 1546 O VAL A 99 -10.851 11.572 4.996 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.508 10.848 4.719 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.657 10.811 5.979 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.798 10.152 3.566 1.00 0.00 C ATOM 0 H VAL A 99 -9.631 10.324 3.020 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.762 9.375 5.675 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.663 11.892 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.690 11.273 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.162 11.358 6.775 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.508 9.776 6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.829 10.622 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.654 9.099 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.402 10.236 2.663 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.447 11.758 6.745 1.00 0.00 N ATOM 1560 CA GLU A 100 -10.254 12.763 7.426 1.00 0.00 C ATOM 1561 C GLU A 100 -10.622 13.900 6.477 1.00 0.00 C ATOM 1562 O GLU A 100 -11.648 14.557 6.647 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.501 13.319 8.637 1.00 0.00 C ATOM 1564 CG GLU A 100 -8.232 14.070 8.272 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.372 14.384 9.481 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -7.706 15.336 10.216 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -6.365 13.676 9.692 1.00 0.00 O ATOM 0 H GLU A 100 -8.594 11.496 7.239 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.173 12.285 7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.162 13.986 9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.247 12.496 9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.654 13.476 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.497 14.999 7.768 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.776 14.126 5.476 1.00 0.00 N ATOM 1575 CA GLY A 101 -10.029 15.183 4.515 1.00 0.00 C ATOM 1576 C GLY A 101 -9.123 15.094 3.303 1.00 0.00 C ATOM 1577 O GLY A 101 -8.442 16.059 2.957 1.00 0.00 O ATOM 0 H GLY A 101 -8.920 13.596 5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.069 15.135 4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.890 16.150 4.998 1.00 0.00 H new ATOM 1581 N TYR A 102 -9.114 13.933 2.658 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.281 13.720 1.480 1.00 0.00 C ATOM 1583 C TYR A 102 -8.961 12.773 0.496 1.00 0.00 C ATOM 1584 O TYR A 102 -9.692 11.866 0.894 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.919 13.156 1.888 1.00 0.00 C ATOM 1586 CG TYR A 102 -6.057 14.143 2.644 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.282 14.403 3.990 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.017 14.813 2.012 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.498 15.304 4.684 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.227 15.715 2.698 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.471 15.957 4.034 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.687 16.854 4.722 1.00 0.00 O ATOM 0 H TYR A 102 -9.674 13.125 2.931 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.137 14.683 0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.072 12.272 2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.387 12.832 0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.084 13.892 4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.823 14.625 0.966 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.688 15.496 5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.423 16.228 2.191 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.943 17.142 4.153 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.715 12.992 -0.791 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.305 12.161 -1.834 1.00 0.00 C ATOM 1604 C TYR A 103 -8.231 11.632 -2.781 1.00 0.00 C ATOM 1605 O TYR A 103 -7.189 12.260 -2.969 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.348 12.956 -2.620 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.671 13.095 -1.902 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -12.662 12.131 -2.037 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -11.930 14.191 -1.088 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.873 12.254 -1.383 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.137 14.322 -0.429 1.00 0.00 C ATOM 1612 CZ TYR A 103 -14.105 13.351 -0.580 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.309 13.477 0.074 1.00 0.00 O ATOM 0 H TYR A 103 -8.111 13.738 -1.137 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.792 11.312 -1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.952 13.950 -2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.515 12.469 -3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -12.483 11.270 -2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -11.175 14.954 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.633 11.496 -1.500 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -13.322 15.180 0.201 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.194 14.046 0.864 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.495 10.474 -3.375 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.553 9.859 -4.304 1.00 0.00 C ATOM 1625 C LEU A 104 -7.639 10.514 -5.679 1.00 0.00 C ATOM 1626 O LEU A 104 -8.623 10.346 -6.399 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.829 8.359 -4.423 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.773 7.561 -3.120 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -7.884 6.071 -3.401 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.490 7.868 -2.361 1.00 0.00 C ATOM 0 H LEU A 104 -9.353 9.942 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.546 10.007 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.816 8.226 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.107 7.931 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.619 7.857 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.842 5.520 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.830 5.865 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.059 5.759 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.467 7.291 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.631 7.601 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.452 8.932 -2.126 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.600 11.259 -6.039 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.554 11.937 -7.330 1.00 0.00 C ATOM 1644 C LYS A 105 -5.997 11.015 -8.409 1.00 0.00 C ATOM 1645 O LYS A 105 -6.706 10.638 -9.341 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.699 13.203 -7.234 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.415 14.373 -6.581 1.00 0.00 C ATOM 1648 CD LYS A 105 -7.198 15.186 -7.599 1.00 0.00 C ATOM 1649 CE LYS A 105 -8.261 16.042 -6.929 1.00 0.00 C ATOM 1650 NZ LYS A 105 -9.359 15.215 -6.356 1.00 0.00 N ATOM 0 H LYS A 105 -5.777 11.409 -5.455 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.572 12.214 -7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.795 12.979 -6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.383 13.495 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.092 14.003 -5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.687 15.014 -6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.515 15.824 -8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.669 14.515 -8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.803 16.636 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.674 16.742 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.198 15.810 -6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.596 14.447 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.051 14.809 -5.449 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.724 10.656 -8.276 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.074 9.777 -9.241 1.00 0.00 C ATOM 1666 C GLU A 106 -2.949 8.983 -8.582 1.00 0.00 C ATOM 1667 O GLU A 106 -2.184 9.501 -7.768 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.520 10.590 -10.412 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.328 11.457 -10.043 1.00 0.00 C ATOM 1670 CD GLU A 106 -2.076 12.563 -11.048 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -2.931 13.466 -11.164 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -1.024 12.526 -11.720 1.00 0.00 O ATOM 0 H GLU A 106 -4.123 10.960 -7.510 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.820 9.076 -9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.229 9.908 -11.211 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.312 11.226 -10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.494 11.896 -9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.439 10.831 -9.967 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.846 7.695 -8.941 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.819 6.802 -8.397 1.00 0.00 C ATOM 1681 C PRO A 107 -0.421 7.154 -8.895 1.00 0.00 C ATOM 1682 O PRO A 107 -0.254 8.048 -9.725 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.238 5.423 -8.913 1.00 0.00 C ATOM 1684 CG PRO A 107 -3.023 5.703 -10.148 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.724 7.012 -9.905 1.00 0.00 C ATOM 0 HA PRO A 107 -1.758 6.866 -7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.370 4.800 -9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.837 4.890 -8.175 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.371 5.765 -11.019 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.741 4.906 -10.343 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.834 7.586 -10.825 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.725 6.863 -9.501 1.00 0.00 H new ATOM 1693 N VAL A 108 0.580 6.446 -8.384 1.00 0.00 N ATOM 1694 CA VAL A 108 1.964 6.683 -8.779 1.00 0.00 C ATOM 1695 C VAL A 108 2.343 5.836 -9.989 1.00 0.00 C ATOM 1696 O VAL A 108 2.065 4.638 -10.051 1.00 0.00 O ATOM 1697 CB VAL A 108 2.937 6.375 -7.625 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.378 6.446 -8.109 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.708 7.333 -6.466 1.00 0.00 C ATOM 0 H VAL A 108 0.459 5.703 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 108 2.043 7.739 -9.039 1.00 0.00 H new ATOM 0 HB VAL A 108 2.746 5.361 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.051 6.226 -7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.531 5.717 -8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.585 7.446 -8.489 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.404 7.101 -5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.871 8.357 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.685 7.228 -6.104 1.00 0.00 H new ATOM 1709 N PRO A 109 2.995 6.470 -10.974 1.00 0.00 N ATOM 1710 CA PRO A 109 3.428 5.794 -12.200 1.00 0.00 C ATOM 1711 C PRO A 109 4.565 4.810 -11.949 1.00 0.00 C ATOM 1712 O PRO A 109 5.419 5.039 -11.093 1.00 0.00 O ATOM 1713 CB PRO A 109 3.904 6.945 -13.091 1.00 0.00 C ATOM 1714 CG PRO A 109 4.292 8.024 -12.140 1.00 0.00 C ATOM 1715 CD PRO A 109 3.360 7.897 -10.967 1.00 0.00 C ATOM 0 HA PRO A 109 2.629 5.198 -12.640 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.747 6.642 -13.712 1.00 0.00 H new ATOM 0 HB3 PRO A 109 3.114 7.277 -13.765 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.330 7.914 -11.827 1.00 0.00 H new ATOM 0 HG3 PRO A 109 4.202 9.005 -12.606 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.847 8.183 -10.034 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.484 8.536 -11.079 1.00 0.00 H new ATOM 1723 N MET A 110 4.571 3.714 -12.701 1.00 0.00 N ATOM 1724 CA MET A 110 5.605 2.696 -12.560 1.00 0.00 C ATOM 1725 C MET A 110 6.841 3.060 -13.377 1.00 0.00 C ATOM 1726 O MET A 110 6.740 3.721 -14.410 1.00 0.00 O ATOM 1727 CB MET A 110 5.071 1.332 -13.001 1.00 0.00 C ATOM 1728 CG MET A 110 4.607 1.300 -14.448 1.00 0.00 C ATOM 1729 SD MET A 110 5.976 1.163 -15.614 1.00 0.00 S ATOM 1730 CE MET A 110 5.403 2.230 -16.935 1.00 0.00 C ATOM 0 H MET A 110 3.871 3.508 -13.414 1.00 0.00 H new ATOM 0 HA MET A 110 5.888 2.644 -11.509 1.00 0.00 H new ATOM 0 HB2 MET A 110 5.851 0.583 -12.861 1.00 0.00 H new ATOM 0 HB3 MET A 110 4.239 1.050 -12.355 1.00 0.00 H new ATOM 0 HG2 MET A 110 3.929 0.458 -14.589 1.00 0.00 H new ATOM 0 HG3 MET A 110 4.040 2.206 -14.664 1.00 0.00 H new ATOM 0 HE1 MET A 110 6.144 2.250 -17.734 1.00 0.00 H new ATOM 0 HE2 MET A 110 4.458 1.851 -17.325 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.258 3.239 -16.550 1.00 0.00 H new