USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 618 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 25 GLN : amide:sc= 2.22 K(o=0.027,f=-14!) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 175:sc= 1.23 (180deg=0) USER MOD Set 1.3: A 90 HIS : no HE2:sc= -3.42! C(o=0.027!,f=-5.2!) USER MOD Set 2.1: A 70 SER OG : rot 40:sc= 1.31 USER MOD Set 2.2: A 73 HIS : no HD1:sc= -2.68! C(o=-1.4!,f=-6.6!) USER MOD Set 3.1: A 60 THR OG1 : rot 160:sc=-0.00187 USER MOD Set 3.2: A 61 LYS NZ :NH3+ 166:sc= -0.95 (180deg=-1.68) USER MOD Set 4.1: A 36 ASN : amide:sc=-0.00871 K(o=-0.023,f=-2.1) USER MOD Set 4.2: A 40 LYS NZ :NH3+ 168:sc= -0.0147 (180deg=-0.222) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.292 X(o=0.29,f=-0.015) USER MOD Single : A 33 LYS NZ :NH3+ -134:sc= 1.27 (180deg=-0.333) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.18) USER MOD Single : A 39 HIS : no HE2:sc= 0.451 K(o=0.45,f=-1.5!) USER MOD Single : A 43 SER OG : rot -102:sc= 1.08 USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0.288 (180deg=0.0344) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0373 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 60:sc= -3.07! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.247 X(o=0.25,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.984! C(o=-0.98!,f=-10!) USER MOD Single : A 91 THR OG1 : rot 73:sc= 0.872 USER MOD Single : A 95 ASN : amide:sc= -1.05 K(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 209 N ASP A 15 -11.810 -1.129 2.168 1.00 0.00 N ATOM 210 CA ASP A 15 -11.377 -1.492 0.831 1.00 0.00 C ATOM 211 C ASP A 15 -10.629 -0.319 0.207 1.00 0.00 C ATOM 212 O ASP A 15 -10.570 -0.169 -1.027 1.00 0.00 O ATOM 213 CB ASP A 15 -12.619 -1.820 -0.018 1.00 0.00 C ATOM 214 CG ASP A 15 -13.559 -0.633 -0.199 1.00 0.00 C ATOM 215 OD1 ASP A 15 -14.166 -0.176 0.778 1.00 0.00 O ATOM 216 OD2 ASP A 15 -13.693 -0.124 -1.316 1.00 0.00 O ATOM 0 HA ASP A 15 -10.717 -2.358 0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.297 -2.172 -0.998 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.165 -2.638 0.451 1.00 0.00 H new ATOM 221 N SER A 16 -10.019 0.483 1.050 1.00 0.00 N ATOM 222 CA SER A 16 -9.366 1.698 0.599 1.00 0.00 C ATOM 223 C SER A 16 -7.833 1.685 0.783 1.00 0.00 C ATOM 224 O SER A 16 -7.144 2.572 0.290 1.00 0.00 O ATOM 225 CB SER A 16 -9.956 2.862 1.365 1.00 0.00 C ATOM 226 OG SER A 16 -11.390 2.852 1.299 1.00 0.00 O ATOM 0 H SER A 16 -9.960 0.318 2.055 1.00 0.00 H new ATOM 0 HA SER A 16 -9.541 1.786 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.637 2.815 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.577 3.799 0.957 1.00 0.00 H new ATOM 0 HG SER A 16 -11.746 3.613 1.803 1.00 0.00 H new ATOM 232 N VAL A 17 -7.302 0.692 1.475 1.00 0.00 N ATOM 233 CA VAL A 17 -5.875 0.678 1.769 1.00 0.00 C ATOM 234 C VAL A 17 -5.295 -0.687 1.446 1.00 0.00 C ATOM 235 O VAL A 17 -5.926 -1.709 1.719 1.00 0.00 O ATOM 236 CB VAL A 17 -5.585 1.012 3.277 1.00 0.00 C ATOM 237 CG1 VAL A 17 -4.086 1.072 3.561 1.00 0.00 C ATOM 238 CG2 VAL A 17 -6.249 2.316 3.699 1.00 0.00 C ATOM 0 H VAL A 17 -7.825 -0.104 1.840 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.407 1.445 1.152 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.014 0.201 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.924 1.305 4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.633 0.108 3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.629 1.846 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.027 2.515 4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.868 3.133 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.328 2.235 3.566 1.00 0.00 H new ATOM 248 N ILE A 18 -4.132 -0.698 0.829 1.00 0.00 N ATOM 249 CA ILE A 18 -3.428 -1.932 0.543 1.00 0.00 C ATOM 250 C ILE A 18 -2.357 -2.075 1.576 1.00 0.00 C ATOM 251 O ILE A 18 -1.628 -1.120 1.854 1.00 0.00 O ATOM 252 CB ILE A 18 -2.663 -1.911 -0.802 1.00 0.00 C ATOM 253 CG1 ILE A 18 -3.452 -1.236 -1.901 1.00 0.00 C ATOM 254 CG2 ILE A 18 -2.263 -3.332 -1.219 1.00 0.00 C ATOM 255 CD1 ILE A 18 -4.722 -1.954 -2.304 1.00 0.00 C ATOM 0 H ILE A 18 -3.649 0.143 0.513 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.175 -2.725 0.523 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.760 -1.321 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.709 -0.227 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.813 -1.136 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.726 -3.296 -2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.620 -3.768 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.158 -3.944 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.219 -1.396 -3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.477 -2.954 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.386 -2.030 -1.443 1.00 0.00 H new ATOM 267 N VAL A 19 -2.265 -3.216 2.123 1.00 0.00 N ATOM 268 CA VAL A 19 -1.223 -3.555 3.045 1.00 0.00 C ATOM 269 C VAL A 19 -0.603 -4.820 2.546 1.00 0.00 C ATOM 270 O VAL A 19 -1.210 -5.880 2.609 1.00 0.00 O ATOM 271 CB VAL A 19 -1.742 -3.796 4.473 1.00 0.00 C ATOM 272 CG1 VAL A 19 -0.594 -4.149 5.410 1.00 0.00 C ATOM 273 CG2 VAL A 19 -2.525 -2.606 4.997 1.00 0.00 C ATOM 0 H VAL A 19 -2.923 -3.975 1.948 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.519 -2.725 3.099 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.428 -4.642 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.982 -4.315 6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.101 -5.055 5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.124 -3.330 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.874 -2.817 6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.883 -1.725 5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.382 -2.420 4.349 1.00 0.00 H new ATOM 283 N VAL A 20 0.553 -4.713 2.015 1.00 0.00 N ATOM 284 CA VAL A 20 1.218 -5.872 1.459 1.00 0.00 C ATOM 285 C VAL A 20 2.185 -6.490 2.427 1.00 0.00 C ATOM 286 O VAL A 20 2.646 -5.842 3.344 1.00 0.00 O ATOM 287 CB VAL A 20 1.916 -5.606 0.104 1.00 0.00 C ATOM 288 CG1 VAL A 20 0.897 -5.365 -0.991 1.00 0.00 C ATOM 289 CG2 VAL A 20 2.847 -4.430 0.207 1.00 0.00 C ATOM 0 H VAL A 20 1.077 -3.841 1.943 1.00 0.00 H new ATOM 0 HA VAL A 20 0.414 -6.582 1.265 1.00 0.00 H new ATOM 0 HB VAL A 20 2.497 -6.492 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.412 -5.180 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.258 -6.242 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.287 -4.499 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.327 -4.261 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.282 -3.542 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.608 -4.633 0.961 1.00 0.00 H new ATOM 299 N ASP A 21 2.425 -7.759 2.232 1.00 0.00 N ATOM 300 CA ASP A 21 3.383 -8.541 3.016 1.00 0.00 C ATOM 301 C ASP A 21 4.724 -8.523 2.295 1.00 0.00 C ATOM 302 O ASP A 21 4.816 -7.909 1.234 1.00 0.00 O ATOM 303 CB ASP A 21 2.886 -9.963 3.256 1.00 0.00 C ATOM 304 CG ASP A 21 3.605 -10.693 4.387 1.00 0.00 C ATOM 305 OD1 ASP A 21 3.217 -10.519 5.558 1.00 0.00 O ATOM 306 OD2 ASP A 21 4.559 -11.451 4.114 1.00 0.00 O ATOM 0 H ASP A 21 1.955 -8.304 1.509 1.00 0.00 H new ATOM 0 HA ASP A 21 3.498 -8.093 4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.820 -9.931 3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.002 -10.537 2.336 1.00 0.00 H new ATOM 311 N ASN A 22 5.722 -9.226 2.858 1.00 0.00 N ATOM 312 CA ASN A 22 7.159 -9.121 2.489 1.00 0.00 C ATOM 313 C ASN A 22 7.460 -8.738 1.045 1.00 0.00 C ATOM 314 O ASN A 22 7.276 -9.521 0.094 1.00 0.00 O ATOM 315 CB ASN A 22 8.029 -10.318 2.972 1.00 0.00 C ATOM 316 CG ASN A 22 7.562 -11.726 2.559 1.00 0.00 C ATOM 317 OD1 ASN A 22 7.851 -12.706 3.252 1.00 0.00 O ATOM 318 ND2 ASN A 22 6.835 -11.847 1.485 1.00 0.00 N ATOM 0 H ASN A 22 5.555 -9.903 3.603 1.00 0.00 H new ATOM 0 HA ASN A 22 7.470 -8.250 3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.043 -10.173 2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.081 -10.283 4.060 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.492 -12.765 1.202 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.608 -11.024 0.927 1.00 0.00 H new ATOM 325 N VAL A 23 7.899 -7.511 0.921 1.00 0.00 N ATOM 326 CA VAL A 23 8.258 -6.893 -0.307 1.00 0.00 C ATOM 327 C VAL A 23 9.729 -7.244 -0.611 1.00 0.00 C ATOM 328 O VAL A 23 10.406 -7.796 0.272 1.00 0.00 O ATOM 329 CB VAL A 23 8.049 -5.332 -0.185 1.00 0.00 C ATOM 330 CG1 VAL A 23 6.583 -5.007 0.065 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.888 -4.750 0.948 1.00 0.00 C ATOM 0 H VAL A 23 8.018 -6.893 1.724 1.00 0.00 H new ATOM 0 HA VAL A 23 7.633 -7.251 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 23 8.368 -4.886 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.458 -3.927 0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.981 -5.380 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.258 -5.480 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.723 -3.674 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.598 -5.214 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.943 -4.945 0.757 1.00 0.00 H new ATOM 341 N PRO A 24 10.218 -6.983 -1.862 1.00 0.00 N ATOM 342 CA PRO A 24 11.608 -7.257 -2.269 1.00 0.00 C ATOM 343 C PRO A 24 12.636 -6.869 -1.210 1.00 0.00 C ATOM 344 O PRO A 24 12.648 -5.727 -0.709 1.00 0.00 O ATOM 345 CB PRO A 24 11.778 -6.398 -3.513 1.00 0.00 C ATOM 346 CG PRO A 24 10.422 -6.358 -4.124 1.00 0.00 C ATOM 347 CD PRO A 24 9.429 -6.471 -2.987 1.00 0.00 C ATOM 0 HA PRO A 24 11.775 -8.322 -2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.129 -5.398 -3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.509 -6.829 -4.197 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.274 -5.430 -4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.293 -7.176 -4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.983 -5.505 -2.752 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.612 -7.147 -3.239 1.00 0.00 H new ATOM 355 N GLN A 25 13.489 -7.835 -0.876 1.00 0.00 N ATOM 356 CA GLN A 25 14.484 -7.667 0.147 1.00 0.00 C ATOM 357 C GLN A 25 15.511 -6.610 -0.290 1.00 0.00 C ATOM 358 O GLN A 25 15.770 -6.418 -1.498 1.00 0.00 O ATOM 359 CB GLN A 25 15.161 -9.020 0.514 1.00 0.00 C ATOM 360 CG GLN A 25 16.368 -9.409 -0.331 1.00 0.00 C ATOM 361 CD GLN A 25 16.042 -9.827 -1.755 1.00 0.00 C ATOM 362 OE1 GLN A 25 15.831 -10.996 -2.031 1.00 0.00 O ATOM 363 NE2 GLN A 25 15.981 -8.890 -2.645 1.00 0.00 N ATOM 0 H GLN A 25 13.499 -8.755 -1.317 1.00 0.00 H new ATOM 0 HA GLN A 25 13.995 -7.311 1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.471 -8.978 1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.415 -9.811 0.434 1.00 0.00 H new ATOM 0 HG2 GLN A 25 17.058 -8.566 -0.364 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.890 -10.229 0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.163 -7.922 -2.380 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.751 -9.119 -3.612 1.00 0.00 H new ATOM 372 N VAL A 26 16.082 -5.945 0.651 1.00 0.00 N ATOM 373 CA VAL A 26 16.954 -4.847 0.372 1.00 0.00 C ATOM 374 C VAL A 26 18.315 -4.996 1.028 1.00 0.00 C ATOM 375 O VAL A 26 18.449 -5.480 2.160 1.00 0.00 O ATOM 376 CB VAL A 26 16.269 -3.500 0.773 1.00 0.00 C ATOM 377 CG1 VAL A 26 17.209 -2.315 0.761 1.00 0.00 C ATOM 378 CG2 VAL A 26 15.095 -3.238 -0.145 1.00 0.00 C ATOM 0 H VAL A 26 15.960 -6.144 1.644 1.00 0.00 H new ATOM 0 HA VAL A 26 17.138 -4.841 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 26 15.933 -3.612 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.665 -1.416 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.022 -2.488 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.619 -2.186 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.617 -2.299 0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.446 -3.174 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.375 -4.052 -0.056 1.00 0.00 H new ATOM 388 N GLY A 27 19.293 -4.621 0.277 1.00 0.00 N ATOM 389 CA GLY A 27 20.649 -4.549 0.710 1.00 0.00 C ATOM 390 C GLY A 27 21.111 -3.150 0.444 1.00 0.00 C ATOM 391 O GLY A 27 20.304 -2.235 0.555 1.00 0.00 O ATOM 0 H GLY A 27 19.166 -4.344 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 27 20.730 -4.788 1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.266 -5.269 0.172 1.00 0.00 H new ATOM 395 N PRO A 28 22.345 -2.914 0.047 1.00 0.00 N ATOM 396 CA PRO A 28 22.781 -1.564 -0.252 1.00 0.00 C ATOM 397 C PRO A 28 22.114 -1.028 -1.535 1.00 0.00 C ATOM 398 O PRO A 28 22.106 -1.701 -2.581 1.00 0.00 O ATOM 399 CB PRO A 28 24.294 -1.698 -0.436 1.00 0.00 C ATOM 400 CG PRO A 28 24.519 -3.129 -0.793 1.00 0.00 C ATOM 401 CD PRO A 28 23.417 -3.911 -0.137 1.00 0.00 C ATOM 0 HA PRO A 28 22.512 -0.858 0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 28 24.655 -1.035 -1.222 1.00 0.00 H new ATOM 0 HB3 PRO A 28 24.827 -1.431 0.477 1.00 0.00 H new ATOM 0 HG2 PRO A 28 24.502 -3.266 -1.874 1.00 0.00 H new ATOM 0 HG3 PRO A 28 25.495 -3.467 -0.444 1.00 0.00 H new ATOM 0 HD2 PRO A 28 23.089 -4.742 -0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 28 23.738 -4.335 0.815 1.00 0.00 H new ATOM 409 N ASP A 29 21.499 0.143 -1.404 1.00 0.00 N ATOM 410 CA ASP A 29 20.865 0.904 -2.511 1.00 0.00 C ATOM 411 C ASP A 29 19.677 0.159 -3.161 1.00 0.00 C ATOM 412 O ASP A 29 19.185 0.528 -4.211 1.00 0.00 O ATOM 413 CB ASP A 29 21.949 1.339 -3.541 1.00 0.00 C ATOM 414 CG ASP A 29 21.462 2.187 -4.718 1.00 0.00 C ATOM 415 OD1 ASP A 29 21.395 3.426 -4.595 1.00 0.00 O ATOM 416 OD2 ASP A 29 21.199 1.627 -5.816 1.00 0.00 O ATOM 0 H ASP A 29 21.418 0.615 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 29 20.419 1.804 -2.087 1.00 0.00 H new ATOM 0 HB2 ASP A 29 22.720 1.899 -3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.423 0.442 -3.938 1.00 0.00 H new ATOM 421 N ARG A 30 19.137 -0.825 -2.496 1.00 0.00 N ATOM 422 CA ARG A 30 18.021 -1.530 -3.103 1.00 0.00 C ATOM 423 C ARG A 30 16.704 -0.888 -2.740 1.00 0.00 C ATOM 424 O ARG A 30 15.702 -1.102 -3.403 1.00 0.00 O ATOM 425 CB ARG A 30 18.004 -3.034 -2.822 1.00 0.00 C ATOM 426 CG ARG A 30 19.124 -3.811 -3.482 1.00 0.00 C ATOM 427 CD ARG A 30 18.924 -5.305 -3.293 1.00 0.00 C ATOM 428 NE ARG A 30 19.985 -6.098 -3.914 1.00 0.00 N ATOM 429 CZ ARG A 30 19.879 -7.398 -4.239 1.00 0.00 C ATOM 430 NH1 ARG A 30 18.718 -8.040 -4.084 1.00 0.00 N ATOM 431 NH2 ARG A 30 20.916 -8.039 -4.761 1.00 0.00 N ATOM 0 H ARG A 30 19.428 -1.153 -1.575 1.00 0.00 H new ATOM 0 HA ARG A 30 18.169 -1.438 -4.179 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.057 -3.190 -1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.050 -3.442 -3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.159 -3.575 -4.546 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.082 -3.510 -3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 30 18.884 -5.530 -2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 30 17.963 -5.596 -3.717 1.00 0.00 H new ATOM 0 HE ARG A 30 20.869 -5.631 -4.115 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.906 -7.544 -3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.644 -9.026 -4.332 1.00 0.00 H new ATOM 0 HH21 ARG A 30 21.795 -7.546 -4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.834 -9.025 -5.007 1.00 0.00 H new ATOM 445 N LEU A 31 16.720 -0.050 -1.725 1.00 0.00 N ATOM 446 CA LEU A 31 15.494 0.586 -1.260 1.00 0.00 C ATOM 447 C LEU A 31 15.092 1.662 -2.261 1.00 0.00 C ATOM 448 O LEU A 31 13.916 1.850 -2.564 1.00 0.00 O ATOM 449 CB LEU A 31 15.698 1.184 0.151 1.00 0.00 C ATOM 450 CG LEU A 31 14.449 1.341 1.047 1.00 0.00 C ATOM 451 CD1 LEU A 31 13.419 2.301 0.471 1.00 0.00 C ATOM 452 CD2 LEU A 31 13.826 -0.013 1.306 1.00 0.00 C ATOM 0 H LEU A 31 17.559 0.209 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 31 14.696 -0.153 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.416 0.558 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.156 2.167 0.037 1.00 0.00 H new ATOM 0 HG LEU A 31 14.784 1.778 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.566 2.368 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.867 3.288 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.085 1.936 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.946 0.106 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.533 -0.466 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.549 -0.656 1.808 1.00 0.00 H new ATOM 464 N GLU A 32 16.083 2.320 -2.800 1.00 0.00 N ATOM 465 CA GLU A 32 15.877 3.360 -3.788 1.00 0.00 C ATOM 466 C GLU A 32 15.276 2.773 -5.060 1.00 0.00 C ATOM 467 O GLU A 32 14.437 3.394 -5.709 1.00 0.00 O ATOM 468 CB GLU A 32 17.195 4.060 -4.084 1.00 0.00 C ATOM 469 CG GLU A 32 17.765 4.813 -2.894 1.00 0.00 C ATOM 470 CD GLU A 32 16.904 5.985 -2.482 1.00 0.00 C ATOM 471 OE1 GLU A 32 16.959 7.030 -3.155 1.00 0.00 O ATOM 472 OE2 GLU A 32 16.154 5.886 -1.481 1.00 0.00 O ATOM 0 H GLU A 32 17.063 2.154 -2.569 1.00 0.00 H new ATOM 0 HA GLU A 32 15.176 4.094 -3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 32 17.923 3.320 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.049 4.758 -4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.869 4.129 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 32 18.765 5.170 -3.140 1.00 0.00 H new ATOM 479 N LYS A 33 15.681 1.556 -5.379 1.00 0.00 N ATOM 480 CA LYS A 33 15.170 0.853 -6.547 1.00 0.00 C ATOM 481 C LYS A 33 13.736 0.439 -6.274 1.00 0.00 C ATOM 482 O LYS A 33 12.855 0.550 -7.145 1.00 0.00 O ATOM 483 CB LYS A 33 15.989 -0.405 -6.811 1.00 0.00 C ATOM 484 CG LYS A 33 17.486 -0.200 -6.811 1.00 0.00 C ATOM 485 CD LYS A 33 18.196 -1.508 -7.065 1.00 0.00 C ATOM 486 CE LYS A 33 19.699 -1.418 -6.784 1.00 0.00 C ATOM 487 NZ LYS A 33 20.378 -0.331 -7.532 1.00 0.00 N ATOM 0 H LYS A 33 16.369 1.029 -4.841 1.00 0.00 H new ATOM 0 HA LYS A 33 15.231 1.512 -7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.739 -1.149 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 33 15.693 -0.818 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.760 0.525 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.803 0.213 -5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.757 -2.285 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.040 -1.808 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.852 -1.264 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.166 -2.370 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.256 -0.696 -7.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.751 0.016 -8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.604 0.449 -6.882 1.00 0.00 H new ATOM 501 N LEU A 34 13.513 -0.009 -5.043 1.00 0.00 N ATOM 502 CA LEU A 34 12.223 -0.469 -4.582 1.00 0.00 C ATOM 503 C LEU A 34 11.170 0.634 -4.722 1.00 0.00 C ATOM 504 O LEU A 34 10.074 0.394 -5.208 1.00 0.00 O ATOM 505 CB LEU A 34 12.325 -0.924 -3.121 1.00 0.00 C ATOM 506 CG LEU A 34 11.040 -1.424 -2.459 1.00 0.00 C ATOM 507 CD1 LEU A 34 10.533 -2.683 -3.134 1.00 0.00 C ATOM 508 CD2 LEU A 34 11.272 -1.658 -0.981 1.00 0.00 C ATOM 0 H LEU A 34 14.241 -0.061 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 34 11.914 -1.313 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.067 -1.720 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.707 -0.090 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 34 10.273 -0.658 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.619 -3.016 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.326 -2.475 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.289 -3.465 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.351 -2.014 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.055 -2.404 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.577 -0.724 -0.508 1.00 0.00 H new ATOM 520 N LYS A 35 11.540 1.851 -4.334 1.00 0.00 N ATOM 521 CA LYS A 35 10.652 3.029 -4.411 1.00 0.00 C ATOM 522 C LYS A 35 10.090 3.248 -5.817 1.00 0.00 C ATOM 523 O LYS A 35 8.965 3.734 -5.988 1.00 0.00 O ATOM 524 CB LYS A 35 11.403 4.293 -4.014 1.00 0.00 C ATOM 525 CG LYS A 35 11.792 4.385 -2.564 1.00 0.00 C ATOM 526 CD LYS A 35 12.602 5.643 -2.325 1.00 0.00 C ATOM 527 CE LYS A 35 12.899 5.848 -0.861 1.00 0.00 C ATOM 528 NZ LYS A 35 13.776 7.006 -0.648 1.00 0.00 N ATOM 0 H LYS A 35 12.464 2.059 -3.955 1.00 0.00 H new ATOM 0 HA LYS A 35 9.829 2.830 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.306 4.364 -4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.784 5.156 -4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.899 4.393 -1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.373 3.508 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.538 5.584 -2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.057 6.505 -2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.966 5.991 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.371 4.953 -0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.838 7.212 0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.725 6.795 -1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.387 7.832 -1.145 1.00 0.00 H new ATOM 542 N ASN A 36 10.848 2.855 -6.811 1.00 0.00 N ATOM 543 CA ASN A 36 10.485 3.140 -8.170 1.00 0.00 C ATOM 544 C ASN A 36 9.526 2.091 -8.685 1.00 0.00 C ATOM 545 O ASN A 36 8.611 2.396 -9.437 1.00 0.00 O ATOM 546 CB ASN A 36 11.747 3.266 -9.054 1.00 0.00 C ATOM 547 CG ASN A 36 11.459 3.687 -10.495 1.00 0.00 C ATOM 548 OD1 ASN A 36 10.466 4.361 -10.783 1.00 0.00 O ATOM 549 ND2 ASN A 36 12.337 3.327 -11.404 1.00 0.00 N ATOM 0 H ASN A 36 11.720 2.337 -6.701 1.00 0.00 H new ATOM 0 HA ASN A 36 9.970 4.100 -8.211 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.423 3.992 -8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.268 2.309 -9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.207 3.605 -12.377 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.148 2.770 -11.137 1.00 0.00 H new ATOM 556 N VAL A 37 9.680 0.868 -8.205 1.00 0.00 N ATOM 557 CA VAL A 37 8.849 -0.222 -8.675 1.00 0.00 C ATOM 558 C VAL A 37 7.455 -0.171 -8.026 1.00 0.00 C ATOM 559 O VAL A 37 6.470 -0.590 -8.638 1.00 0.00 O ATOM 560 CB VAL A 37 9.520 -1.624 -8.479 1.00 0.00 C ATOM 561 CG1 VAL A 37 9.644 -2.027 -7.022 1.00 0.00 C ATOM 562 CG2 VAL A 37 8.795 -2.683 -9.269 1.00 0.00 C ATOM 0 H VAL A 37 10.367 0.609 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 37 8.731 -0.087 -9.750 1.00 0.00 H new ATOM 0 HB VAL A 37 10.537 -1.534 -8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.116 -3.007 -6.954 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.252 -1.294 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.653 -2.070 -6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.280 -3.647 -9.116 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.759 -2.741 -8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.821 -2.428 -10.328 1.00 0.00 H new ATOM 572 N ILE A 38 7.379 0.401 -6.819 1.00 0.00 N ATOM 573 CA ILE A 38 6.107 0.521 -6.079 1.00 0.00 C ATOM 574 C ILE A 38 5.051 1.217 -6.942 1.00 0.00 C ATOM 575 O ILE A 38 3.963 0.688 -7.186 1.00 0.00 O ATOM 576 CB ILE A 38 6.283 1.333 -4.750 1.00 0.00 C ATOM 577 CG1 ILE A 38 7.336 0.693 -3.830 1.00 0.00 C ATOM 578 CG2 ILE A 38 4.960 1.492 -4.006 1.00 0.00 C ATOM 579 CD1 ILE A 38 7.105 -0.777 -3.536 1.00 0.00 C ATOM 0 H ILE A 38 8.184 0.791 -6.328 1.00 0.00 H new ATOM 0 HA ILE A 38 5.785 -0.491 -5.833 1.00 0.00 H new ATOM 0 HB ILE A 38 6.635 2.325 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.318 0.809 -4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.357 1.240 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.124 2.060 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.248 2.021 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.562 0.508 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.894 -1.145 -2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.139 -0.903 -3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.115 -1.341 -4.469 1.00 0.00 H new ATOM 591 N HIS A 39 5.430 2.355 -7.465 1.00 0.00 N ATOM 592 CA HIS A 39 4.558 3.196 -8.266 1.00 0.00 C ATOM 593 C HIS A 39 4.207 2.563 -9.610 1.00 0.00 C ATOM 594 O HIS A 39 3.254 2.952 -10.245 1.00 0.00 O ATOM 595 CB HIS A 39 5.196 4.575 -8.466 1.00 0.00 C ATOM 596 CG HIS A 39 5.397 5.325 -7.181 1.00 0.00 C ATOM 597 ND1 HIS A 39 6.583 5.342 -6.464 1.00 0.00 N ATOM 598 CD2 HIS A 39 4.527 6.082 -6.475 1.00 0.00 C ATOM 599 CE1 HIS A 39 6.392 6.086 -5.380 1.00 0.00 C ATOM 600 NE2 HIS A 39 5.158 6.562 -5.335 1.00 0.00 N ATOM 0 H HIS A 39 6.369 2.736 -7.348 1.00 0.00 H new ATOM 0 HA HIS A 39 3.622 3.308 -7.719 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.158 4.454 -8.963 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.566 5.167 -9.130 1.00 0.00 H new ATOM 0 HD1 HIS A 39 7.448 4.868 -6.723 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.503 6.282 -6.754 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.147 6.278 -4.632 1.00 0.00 H new ATOM 608 N LYS A 40 4.974 1.579 -10.027 1.00 0.00 N ATOM 609 CA LYS A 40 4.726 0.905 -11.303 1.00 0.00 C ATOM 610 C LYS A 40 3.704 -0.195 -11.104 1.00 0.00 C ATOM 611 O LYS A 40 2.835 -0.437 -11.946 1.00 0.00 O ATOM 612 CB LYS A 40 6.017 0.306 -11.839 1.00 0.00 C ATOM 613 CG LYS A 40 7.147 1.293 -11.907 1.00 0.00 C ATOM 614 CD LYS A 40 6.880 2.424 -12.887 1.00 0.00 C ATOM 615 CE LYS A 40 7.979 3.474 -12.812 1.00 0.00 C ATOM 616 NZ LYS A 40 9.322 2.899 -13.039 1.00 0.00 N ATOM 0 H LYS A 40 5.776 1.221 -9.509 1.00 0.00 H new ATOM 0 HA LYS A 40 4.347 1.633 -12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.312 -0.530 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.836 -0.098 -12.835 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.319 1.710 -10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.060 0.774 -12.198 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.819 2.027 -13.900 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.916 2.883 -12.666 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.788 4.250 -13.554 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.953 3.955 -11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.009 3.667 -13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.601 2.333 -12.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.302 2.292 -13.884 1.00 0.00 H new ATOM 630 N ILE A 41 3.807 -0.857 -9.982 1.00 0.00 N ATOM 631 CA ILE A 41 2.895 -1.920 -9.645 1.00 0.00 C ATOM 632 C ILE A 41 1.560 -1.342 -9.263 1.00 0.00 C ATOM 633 O ILE A 41 0.532 -1.641 -9.878 1.00 0.00 O ATOM 634 CB ILE A 41 3.417 -2.774 -8.447 1.00 0.00 C ATOM 635 CG1 ILE A 41 4.801 -3.376 -8.737 1.00 0.00 C ATOM 636 CG2 ILE A 41 2.414 -3.871 -8.069 1.00 0.00 C ATOM 637 CD1 ILE A 41 4.844 -4.296 -9.933 1.00 0.00 C ATOM 0 H ILE A 41 4.522 -0.676 -9.278 1.00 0.00 H new ATOM 0 HA ILE A 41 2.806 -2.561 -10.522 1.00 0.00 H new ATOM 0 HB ILE A 41 3.522 -2.102 -7.595 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.511 -2.564 -8.893 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.135 -3.927 -7.858 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.805 -4.449 -7.232 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.466 -3.415 -7.783 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.257 -4.530 -8.923 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.857 -4.675 -10.064 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.162 -5.131 -9.774 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.544 -3.747 -10.825 1.00 0.00 H new ATOM 649 N PHE A 42 1.599 -0.446 -8.327 1.00 0.00 N ATOM 650 CA PHE A 42 0.404 0.012 -7.689 1.00 0.00 C ATOM 651 C PHE A 42 -0.411 1.025 -8.472 1.00 0.00 C ATOM 652 O PHE A 42 -1.592 1.201 -8.200 1.00 0.00 O ATOM 653 CB PHE A 42 0.684 0.459 -6.284 1.00 0.00 C ATOM 654 CG PHE A 42 1.089 -0.658 -5.377 1.00 0.00 C ATOM 655 CD1 PHE A 42 0.204 -1.684 -5.076 1.00 0.00 C ATOM 656 CD2 PHE A 42 2.334 -0.675 -4.814 1.00 0.00 C ATOM 657 CE1 PHE A 42 0.572 -2.704 -4.224 1.00 0.00 C ATOM 658 CE2 PHE A 42 2.712 -1.681 -3.965 1.00 0.00 C ATOM 659 CZ PHE A 42 1.832 -2.701 -3.663 1.00 0.00 C ATOM 0 H PHE A 42 2.456 -0.013 -7.984 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.251 -0.859 -7.654 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.474 1.210 -6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.206 0.942 -5.880 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.783 -1.684 -5.514 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.031 0.118 -5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.122 -3.500 -3.998 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.701 -1.676 -3.531 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.129 -3.493 -2.991 1.00 0.00 H new ATOM 669 N SER A 43 0.177 1.651 -9.473 1.00 0.00 N ATOM 670 CA SER A 43 -0.562 2.594 -10.291 1.00 0.00 C ATOM 671 C SER A 43 -1.663 1.883 -11.081 1.00 0.00 C ATOM 672 O SER A 43 -2.640 2.492 -11.524 1.00 0.00 O ATOM 673 CB SER A 43 0.374 3.329 -11.212 1.00 0.00 C ATOM 674 OG SER A 43 1.194 2.421 -11.930 1.00 0.00 O ATOM 0 H SER A 43 1.154 1.526 -9.738 1.00 0.00 H new ATOM 0 HA SER A 43 -1.041 3.321 -9.635 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.200 3.937 -11.911 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.998 4.011 -10.634 1.00 0.00 H new ATOM 0 HG SER A 43 2.085 2.393 -11.523 1.00 0.00 H new ATOM 680 N LYS A 44 -1.517 0.580 -11.225 1.00 0.00 N ATOM 681 CA LYS A 44 -2.522 -0.229 -11.883 1.00 0.00 C ATOM 682 C LYS A 44 -3.772 -0.411 -10.998 1.00 0.00 C ATOM 683 O LYS A 44 -4.786 -0.968 -11.435 1.00 0.00 O ATOM 684 CB LYS A 44 -1.948 -1.573 -12.331 1.00 0.00 C ATOM 685 CG LYS A 44 -0.917 -1.454 -13.453 1.00 0.00 C ATOM 686 CD LYS A 44 -0.475 -2.825 -13.966 1.00 0.00 C ATOM 687 CE LYS A 44 0.414 -3.576 -12.979 1.00 0.00 C ATOM 688 NZ LYS A 44 1.764 -2.961 -12.855 1.00 0.00 N ATOM 0 H LYS A 44 -0.707 0.057 -10.893 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.838 0.306 -12.779 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.486 -2.065 -11.475 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.764 -2.214 -12.665 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.340 -0.877 -14.276 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.048 -0.904 -13.091 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.358 -3.427 -14.182 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.062 -2.699 -14.906 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.066 -3.593 -12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.517 -4.612 -13.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.394 -3.608 -12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.152 -2.781 -13.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.690 -2.063 -12.335 1.00 0.00 H new ATOM 702 N PHE A 45 -3.684 0.046 -9.757 1.00 0.00 N ATOM 703 CA PHE A 45 -4.826 0.045 -8.849 1.00 0.00 C ATOM 704 C PHE A 45 -5.357 1.479 -8.657 1.00 0.00 C ATOM 705 O PHE A 45 -6.276 1.729 -7.864 1.00 0.00 O ATOM 706 CB PHE A 45 -4.469 -0.592 -7.495 1.00 0.00 C ATOM 707 CG PHE A 45 -4.072 -2.037 -7.585 1.00 0.00 C ATOM 708 CD1 PHE A 45 -5.035 -3.031 -7.549 1.00 0.00 C ATOM 709 CD2 PHE A 45 -2.743 -2.402 -7.697 1.00 0.00 C ATOM 710 CE1 PHE A 45 -4.678 -4.362 -7.627 1.00 0.00 C ATOM 711 CE2 PHE A 45 -2.377 -3.730 -7.775 1.00 0.00 C ATOM 712 CZ PHE A 45 -3.346 -4.711 -7.739 1.00 0.00 C ATOM 0 H PHE A 45 -2.828 0.425 -9.352 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.613 -0.562 -9.298 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.652 -0.029 -7.045 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.325 -0.502 -6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.077 -2.762 -7.459 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.981 -1.637 -7.724 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.438 -5.129 -7.601 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.335 -4.001 -7.864 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.063 -5.752 -7.798 1.00 0.00 H new ATOM 722 N GLY A 46 -4.781 2.417 -9.381 1.00 0.00 N ATOM 723 CA GLY A 46 -5.243 3.776 -9.313 1.00 0.00 C ATOM 724 C GLY A 46 -4.115 4.757 -9.132 1.00 0.00 C ATOM 725 O GLY A 46 -2.955 4.448 -9.418 1.00 0.00 O ATOM 0 H GLY A 46 -3.999 2.259 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.788 4.018 -10.225 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.945 3.877 -8.486 1.00 0.00 H new ATOM 729 N LYS A 47 -4.449 5.938 -8.695 1.00 0.00 N ATOM 730 CA LYS A 47 -3.470 6.972 -8.453 1.00 0.00 C ATOM 731 C LYS A 47 -2.941 6.839 -7.037 1.00 0.00 C ATOM 732 O LYS A 47 -3.731 6.775 -6.086 1.00 0.00 O ATOM 733 CB LYS A 47 -4.106 8.358 -8.638 1.00 0.00 C ATOM 734 CG LYS A 47 -3.137 9.524 -8.466 1.00 0.00 C ATOM 735 CD LYS A 47 -3.846 10.855 -8.628 1.00 0.00 C ATOM 736 CE LYS A 47 -2.869 12.018 -8.610 1.00 0.00 C ATOM 737 NZ LYS A 47 -3.539 13.312 -8.885 1.00 0.00 N ATOM 0 H LYS A 47 -5.409 6.217 -8.494 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.651 6.863 -9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.547 8.412 -9.633 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.920 8.469 -7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.674 9.473 -7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.335 9.445 -9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.400 10.860 -9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.574 10.979 -7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.378 12.064 -7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.090 11.848 -9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.836 14.078 -8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.986 13.279 -9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.265 13.488 -8.161 1.00 0.00 H new ATOM 751 N ILE A 48 -1.627 6.795 -6.894 1.00 0.00 N ATOM 752 CA ILE A 48 -1.001 6.697 -5.599 1.00 0.00 C ATOM 753 C ILE A 48 -1.088 8.064 -4.925 1.00 0.00 C ATOM 754 O ILE A 48 -0.224 8.937 -5.139 1.00 0.00 O ATOM 755 CB ILE A 48 0.509 6.311 -5.719 1.00 0.00 C ATOM 756 CG1 ILE A 48 0.715 5.111 -6.664 1.00 0.00 C ATOM 757 CG2 ILE A 48 1.113 6.015 -4.343 1.00 0.00 C ATOM 758 CD1 ILE A 48 0.050 3.845 -6.213 1.00 0.00 C ATOM 0 H ILE A 48 -0.971 6.827 -7.674 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.513 5.925 -5.024 1.00 0.00 H new ATOM 0 HB ILE A 48 1.027 7.169 -6.147 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.337 5.373 -7.652 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.784 4.927 -6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.164 5.749 -4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.028 6.899 -3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.577 5.186 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.247 3.053 -6.936 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.445 3.554 -5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.025 4.007 -6.135 1.00 0.00 H new ATOM 770 N THR A 49 -2.148 8.289 -4.200 1.00 0.00 N ATOM 771 CA THR A 49 -2.330 9.523 -3.513 1.00 0.00 C ATOM 772 C THR A 49 -1.524 9.539 -2.226 1.00 0.00 C ATOM 773 O THR A 49 -0.693 10.429 -2.018 1.00 0.00 O ATOM 774 CB THR A 49 -3.827 9.804 -3.271 1.00 0.00 C ATOM 775 OG1 THR A 49 -4.479 8.593 -2.875 1.00 0.00 O ATOM 776 CG2 THR A 49 -4.486 10.343 -4.533 1.00 0.00 C ATOM 0 H THR A 49 -2.906 7.618 -4.073 1.00 0.00 H new ATOM 0 HA THR A 49 -1.955 10.332 -4.140 1.00 0.00 H new ATOM 0 HB THR A 49 -3.918 10.552 -2.484 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.430 8.770 -2.719 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.541 10.534 -4.339 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.998 11.271 -4.830 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.391 9.610 -5.334 1.00 0.00 H new ATOM 784 N ASN A 50 -1.696 8.521 -1.410 1.00 0.00 N ATOM 785 CA ASN A 50 -0.957 8.422 -0.171 1.00 0.00 C ATOM 786 C ASN A 50 -0.252 7.099 -0.085 1.00 0.00 C ATOM 787 O ASN A 50 -0.802 6.059 -0.463 1.00 0.00 O ATOM 788 CB ASN A 50 -1.836 8.658 1.073 1.00 0.00 C ATOM 789 CG ASN A 50 -2.265 10.099 1.249 1.00 0.00 C ATOM 790 OD1 ASN A 50 -3.323 10.515 0.769 1.00 0.00 O ATOM 791 ND2 ASN A 50 -1.458 10.870 1.931 1.00 0.00 N ATOM 0 H ASN A 50 -2.341 7.750 -1.583 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.216 9.221 -0.180 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.724 8.029 1.004 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.288 8.340 1.960 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.695 11.851 2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.592 10.491 2.313 1.00 0.00 H new ATOM 798 N ASP A 51 0.956 7.135 0.391 1.00 0.00 N ATOM 799 CA ASP A 51 1.786 5.958 0.502 1.00 0.00 C ATOM 800 C ASP A 51 2.568 6.027 1.769 1.00 0.00 C ATOM 801 O ASP A 51 3.074 7.091 2.144 1.00 0.00 O ATOM 802 CB ASP A 51 2.733 5.802 -0.709 1.00 0.00 C ATOM 803 CG ASP A 51 3.670 6.989 -0.930 1.00 0.00 C ATOM 804 OD1 ASP A 51 3.245 7.997 -1.535 1.00 0.00 O ATOM 805 OD2 ASP A 51 4.854 6.930 -0.516 1.00 0.00 O ATOM 0 H ASP A 51 1.405 7.990 0.719 1.00 0.00 H new ATOM 0 HA ASP A 51 1.137 5.082 0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.332 4.901 -0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.134 5.654 -1.608 1.00 0.00 H new ATOM 810 N PHE A 52 2.652 4.922 2.449 1.00 0.00 N ATOM 811 CA PHE A 52 3.349 4.879 3.721 1.00 0.00 C ATOM 812 C PHE A 52 4.230 3.656 3.789 1.00 0.00 C ATOM 813 O PHE A 52 3.742 2.533 3.981 1.00 0.00 O ATOM 814 CB PHE A 52 2.361 4.838 4.910 1.00 0.00 C ATOM 815 CG PHE A 52 1.311 5.915 4.907 1.00 0.00 C ATOM 816 CD1 PHE A 52 1.583 7.162 5.424 1.00 0.00 C ATOM 817 CD2 PHE A 52 0.043 5.667 4.394 1.00 0.00 C ATOM 818 CE1 PHE A 52 0.616 8.152 5.432 1.00 0.00 C ATOM 819 CE2 PHE A 52 -0.925 6.650 4.395 1.00 0.00 C ATOM 820 CZ PHE A 52 -0.637 7.895 4.915 1.00 0.00 C ATOM 0 H PHE A 52 2.250 4.033 2.153 1.00 0.00 H new ATOM 0 HA PHE A 52 3.950 5.786 3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.864 3.868 4.915 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.930 4.910 5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.563 7.370 5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.187 4.692 3.990 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.842 9.125 5.843 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.905 6.446 3.990 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.392 8.668 4.917 1.00 0.00 H new ATOM 830 N TYR A 53 5.496 3.825 3.521 1.00 0.00 N ATOM 831 CA TYR A 53 6.406 2.725 3.721 1.00 0.00 C ATOM 832 C TYR A 53 7.287 3.028 4.922 1.00 0.00 C ATOM 833 O TYR A 53 7.944 4.079 4.959 1.00 0.00 O ATOM 834 CB TYR A 53 7.319 2.391 2.513 1.00 0.00 C ATOM 835 CG TYR A 53 6.911 2.912 1.141 1.00 0.00 C ATOM 836 CD1 TYR A 53 5.644 2.707 0.605 1.00 0.00 C ATOM 837 CD2 TYR A 53 7.830 3.617 0.379 1.00 0.00 C ATOM 838 CE1 TYR A 53 5.313 3.192 -0.644 1.00 0.00 C ATOM 839 CE2 TYR A 53 7.509 4.101 -0.863 1.00 0.00 C ATOM 840 CZ TYR A 53 6.254 3.889 -1.372 1.00 0.00 C ATOM 841 OH TYR A 53 5.937 4.385 -2.616 1.00 0.00 O ATOM 0 H TYR A 53 5.915 4.687 3.173 1.00 0.00 H new ATOM 0 HA TYR A 53 5.776 1.848 3.871 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.316 2.774 2.732 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.401 1.306 2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.908 2.160 1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.821 3.789 0.773 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.325 3.027 -1.048 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.242 4.647 -1.438 1.00 0.00 H new ATOM 0 HH TYR A 53 6.714 4.851 -2.990 1.00 0.00 H new ATOM 851 N PRO A 54 7.283 2.173 5.934 1.00 0.00 N ATOM 852 CA PRO A 54 8.202 2.288 7.065 1.00 0.00 C ATOM 853 C PRO A 54 9.603 1.817 6.652 1.00 0.00 C ATOM 854 O PRO A 54 9.814 1.442 5.501 1.00 0.00 O ATOM 855 CB PRO A 54 7.614 1.359 8.122 1.00 0.00 C ATOM 856 CG PRO A 54 6.797 0.360 7.369 1.00 0.00 C ATOM 857 CD PRO A 54 6.351 1.029 6.091 1.00 0.00 C ATOM 0 HA PRO A 54 8.306 3.312 7.425 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.401 0.869 8.695 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.000 1.912 8.832 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.383 -0.533 7.153 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.937 0.042 7.958 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.411 0.347 5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.316 1.365 6.157 1.00 0.00 H new ATOM 865 N GLU A 55 10.563 1.916 7.507 1.00 0.00 N ATOM 866 CA GLU A 55 11.855 1.344 7.194 1.00 0.00 C ATOM 867 C GLU A 55 12.290 0.540 8.386 1.00 0.00 C ATOM 868 O GLU A 55 11.740 0.702 9.476 1.00 0.00 O ATOM 869 CB GLU A 55 12.909 2.402 6.853 1.00 0.00 C ATOM 870 CG GLU A 55 13.509 3.089 8.053 1.00 0.00 C ATOM 871 CD GLU A 55 14.539 4.104 7.682 1.00 0.00 C ATOM 872 OE1 GLU A 55 15.683 3.723 7.409 1.00 0.00 O ATOM 873 OE2 GLU A 55 14.230 5.316 7.671 1.00 0.00 O ATOM 0 H GLU A 55 10.495 2.376 8.415 1.00 0.00 H new ATOM 0 HA GLU A 55 11.759 0.722 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.708 1.931 6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.456 3.154 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.716 3.574 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.960 2.342 8.706 1.00 0.00 H new ATOM 936 N THR A 60 14.747 -2.960 4.016 1.00 0.00 N ATOM 937 CA THR A 60 13.349 -2.971 3.776 1.00 0.00 C ATOM 938 C THR A 60 12.570 -3.564 4.962 1.00 0.00 C ATOM 939 O THR A 60 13.139 -4.161 5.902 1.00 0.00 O ATOM 940 CB THR A 60 12.968 -3.690 2.453 1.00 0.00 C ATOM 941 OG1 THR A 60 11.639 -3.308 2.059 1.00 0.00 O ATOM 942 CG2 THR A 60 13.028 -5.211 2.596 1.00 0.00 C ATOM 0 HA THR A 60 13.059 -1.926 3.666 1.00 0.00 H new ATOM 0 HB THR A 60 13.691 -3.389 1.695 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.517 -3.487 1.103 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.755 -5.677 1.649 1.00 0.00 H new ATOM 0 HG22 THR A 60 14.040 -5.511 2.869 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.332 -5.531 3.372 1.00 0.00 H new ATOM 950 N LYS A 61 11.296 -3.352 4.886 1.00 0.00 N ATOM 951 CA LYS A 61 10.312 -3.812 5.817 1.00 0.00 C ATOM 952 C LYS A 61 9.564 -4.954 5.192 1.00 0.00 C ATOM 953 O LYS A 61 9.757 -5.255 4.015 1.00 0.00 O ATOM 954 CB LYS A 61 9.315 -2.685 6.169 1.00 0.00 C ATOM 955 CG LYS A 61 9.444 -1.413 5.325 1.00 0.00 C ATOM 956 CD LYS A 61 9.031 -1.535 3.845 1.00 0.00 C ATOM 957 CE LYS A 61 9.464 -0.303 3.057 1.00 0.00 C ATOM 958 NZ LYS A 61 10.889 0.033 3.260 1.00 0.00 N ATOM 0 H LYS A 61 10.886 -2.817 4.121 1.00 0.00 H new ATOM 0 HA LYS A 61 10.810 -4.129 6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.302 -3.072 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.446 -2.420 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.839 -0.633 5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.481 -1.079 5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.481 -2.427 3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.950 -1.656 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.283 -0.474 1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.849 0.547 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.191 0.716 2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.016 0.450 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.464 -0.830 3.182 1.00 0.00 H new ATOM 972 N GLY A 62 8.688 -5.541 5.939 1.00 0.00 N ATOM 973 CA GLY A 62 7.936 -6.652 5.427 1.00 0.00 C ATOM 974 C GLY A 62 6.513 -6.277 5.115 1.00 0.00 C ATOM 975 O GLY A 62 5.650 -7.145 5.056 1.00 0.00 O ATOM 0 H GLY A 62 8.472 -5.277 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.417 -7.030 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.945 -7.462 6.156 1.00 0.00 H new ATOM 979 N TYR A 63 6.264 -4.978 4.944 1.00 0.00 N ATOM 980 CA TYR A 63 4.924 -4.471 4.664 1.00 0.00 C ATOM 981 C TYR A 63 4.979 -2.992 4.293 1.00 0.00 C ATOM 982 O TYR A 63 5.911 -2.282 4.720 1.00 0.00 O ATOM 983 CB TYR A 63 3.971 -4.693 5.867 1.00 0.00 C ATOM 984 CG TYR A 63 4.243 -3.844 7.092 1.00 0.00 C ATOM 985 CD1 TYR A 63 5.395 -4.011 7.852 1.00 0.00 C ATOM 986 CD2 TYR A 63 3.323 -2.891 7.500 1.00 0.00 C ATOM 987 CE1 TYR A 63 5.617 -3.251 8.978 1.00 0.00 C ATOM 988 CE2 TYR A 63 3.542 -2.126 8.621 1.00 0.00 C ATOM 989 CZ TYR A 63 4.685 -2.309 9.356 1.00 0.00 C ATOM 990 OH TYR A 63 4.888 -1.560 10.495 1.00 0.00 O ATOM 0 H TYR A 63 6.981 -4.254 4.996 1.00 0.00 H new ATOM 0 HA TYR A 63 4.527 -5.031 3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 63 2.950 -4.503 5.537 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.022 -5.742 6.157 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.126 -4.748 7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.419 -2.747 6.927 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.515 -3.392 9.561 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.817 -1.384 8.921 1.00 0.00 H new ATOM 0 HH TYR A 63 4.138 -0.942 10.618 1.00 0.00 H new ATOM 1000 N ILE A 64 4.020 -2.535 3.483 1.00 0.00 N ATOM 1001 CA ILE A 64 3.878 -1.115 3.115 1.00 0.00 C ATOM 1002 C ILE A 64 2.377 -0.817 2.961 1.00 0.00 C ATOM 1003 O ILE A 64 1.578 -1.761 2.835 1.00 0.00 O ATOM 1004 CB ILE A 64 4.610 -0.715 1.769 1.00 0.00 C ATOM 1005 CG1 ILE A 64 3.902 -1.281 0.550 1.00 0.00 C ATOM 1006 CG2 ILE A 64 6.063 -1.162 1.763 1.00 0.00 C ATOM 1007 CD1 ILE A 64 4.529 -0.883 -0.770 1.00 0.00 C ATOM 0 H ILE A 64 3.315 -3.139 3.060 1.00 0.00 H new ATOM 0 HA ILE A 64 4.349 -0.531 3.906 1.00 0.00 H new ATOM 0 HB ILE A 64 4.578 0.373 1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.892 -2.369 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.863 -0.951 0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.530 -0.869 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.592 -0.692 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.111 -2.246 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.965 -1.328 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.515 0.203 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.559 -1.237 -0.805 1.00 0.00 H new ATOM 1019 N PHE A 65 2.000 0.458 2.967 1.00 0.00 N ATOM 1020 CA PHE A 65 0.590 0.863 2.839 1.00 0.00 C ATOM 1021 C PHE A 65 0.389 1.724 1.602 1.00 0.00 C ATOM 1022 O PHE A 65 1.199 2.625 1.315 1.00 0.00 O ATOM 1023 CB PHE A 65 0.138 1.699 4.047 1.00 0.00 C ATOM 1024 CG PHE A 65 0.298 1.063 5.398 1.00 0.00 C ATOM 1025 CD1 PHE A 65 1.495 1.161 6.093 1.00 0.00 C ATOM 1026 CD2 PHE A 65 -0.754 0.393 5.984 1.00 0.00 C ATOM 1027 CE1 PHE A 65 1.633 0.600 7.341 1.00 0.00 C ATOM 1028 CE2 PHE A 65 -0.623 -0.174 7.234 1.00 0.00 C ATOM 1029 CZ PHE A 65 0.573 -0.070 7.914 1.00 0.00 C ATOM 0 H PHE A 65 2.650 1.238 3.059 1.00 0.00 H new ATOM 0 HA PHE A 65 0.006 -0.055 2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.696 2.635 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.913 1.954 3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.329 1.684 5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.693 0.311 5.457 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.570 0.684 7.871 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.455 -0.699 7.680 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.679 -0.513 8.893 1.00 0.00 H new ATOM 1039 N LEU A 66 -0.679 1.446 0.890 1.00 0.00 N ATOM 1040 CA LEU A 66 -1.104 2.223 -0.264 1.00 0.00 C ATOM 1041 C LEU A 66 -2.532 2.707 -0.017 1.00 0.00 C ATOM 1042 O LEU A 66 -3.410 1.900 0.261 1.00 0.00 O ATOM 1043 CB LEU A 66 -1.098 1.380 -1.563 1.00 0.00 C ATOM 1044 CG LEU A 66 0.238 0.983 -2.235 1.00 0.00 C ATOM 1045 CD1 LEU A 66 1.058 2.192 -2.662 1.00 0.00 C ATOM 1046 CD2 LEU A 66 1.054 0.023 -1.389 1.00 0.00 C ATOM 0 H LEU A 66 -1.293 0.658 1.097 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.408 3.053 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.638 0.457 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.681 1.927 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.034 0.448 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.985 1.857 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.487 2.785 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.290 2.801 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.981 -0.222 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.287 0.489 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.481 -0.889 -1.219 1.00 0.00 H new ATOM 1058 N GLU A 67 -2.738 3.991 -0.099 1.00 0.00 N ATOM 1059 CA GLU A 67 -4.047 4.620 0.088 1.00 0.00 C ATOM 1060 C GLU A 67 -4.393 5.341 -1.213 1.00 0.00 C ATOM 1061 O GLU A 67 -3.562 6.100 -1.746 1.00 0.00 O ATOM 1062 CB GLU A 67 -3.944 5.615 1.263 1.00 0.00 C ATOM 1063 CG GLU A 67 -5.139 6.556 1.497 1.00 0.00 C ATOM 1064 CD GLU A 67 -6.370 5.913 2.120 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -6.373 5.687 3.345 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -7.388 5.721 1.424 1.00 0.00 O ATOM 0 H GLU A 67 -1.994 4.658 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.825 3.892 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.781 5.043 2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.056 6.229 1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.814 7.374 2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.425 6.996 0.541 1.00 0.00 H new ATOM 1073 N TYR A 68 -5.567 5.081 -1.749 1.00 0.00 N ATOM 1074 CA TYR A 68 -5.975 5.667 -3.026 1.00 0.00 C ATOM 1075 C TYR A 68 -7.317 6.348 -2.869 1.00 0.00 C ATOM 1076 O TYR A 68 -7.867 6.392 -1.793 1.00 0.00 O ATOM 1077 CB TYR A 68 -6.162 4.595 -4.097 1.00 0.00 C ATOM 1078 CG TYR A 68 -5.011 3.676 -4.367 1.00 0.00 C ATOM 1079 CD1 TYR A 68 -4.698 2.670 -3.486 1.00 0.00 C ATOM 1080 CD2 TYR A 68 -4.281 3.773 -5.531 1.00 0.00 C ATOM 1081 CE1 TYR A 68 -3.705 1.791 -3.743 1.00 0.00 C ATOM 1082 CE2 TYR A 68 -3.265 2.895 -5.794 1.00 0.00 C ATOM 1083 CZ TYR A 68 -2.989 1.901 -4.887 1.00 0.00 C ATOM 1084 OH TYR A 68 -2.007 1.005 -5.131 1.00 0.00 O ATOM 0 H TYR A 68 -6.263 4.467 -1.326 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.192 6.366 -3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.020 3.985 -3.815 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.419 5.095 -5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.258 2.580 -2.567 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.513 4.550 -6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -3.483 1.003 -3.038 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.688 2.982 -6.703 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.388 0.103 -5.164 1.00 0.00 H new ATOM 1094 N ALA A 69 -7.825 6.891 -3.951 1.00 0.00 N ATOM 1095 CA ALA A 69 -9.167 7.453 -3.980 1.00 0.00 C ATOM 1096 C ALA A 69 -10.006 6.724 -5.038 1.00 0.00 C ATOM 1097 O ALA A 69 -11.104 7.145 -5.382 1.00 0.00 O ATOM 1098 CB ALA A 69 -9.095 8.940 -4.295 1.00 0.00 C ATOM 0 H ALA A 69 -7.325 6.958 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.637 7.324 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.102 9.357 -4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.508 9.446 -3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.623 9.084 -5.267 1.00 0.00 H new ATOM 1104 N SER A 70 -9.475 5.633 -5.537 1.00 0.00 N ATOM 1105 CA SER A 70 -10.032 4.927 -6.649 1.00 0.00 C ATOM 1106 C SER A 70 -11.226 3.948 -6.301 1.00 0.00 C ATOM 1107 O SER A 70 -11.381 3.520 -5.152 1.00 0.00 O ATOM 1108 CB SER A 70 -8.859 4.229 -7.348 1.00 0.00 C ATOM 1109 OG SER A 70 -8.053 3.564 -6.413 1.00 0.00 O ATOM 0 H SER A 70 -8.625 5.208 -5.167 1.00 0.00 H new ATOM 0 HA SER A 70 -10.523 5.638 -7.313 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.237 3.517 -8.082 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.264 4.963 -7.893 1.00 0.00 H new ATOM 0 HG SER A 70 -8.620 3.140 -5.735 1.00 0.00 H new ATOM 1115 N PRO A 71 -11.985 3.550 -7.379 1.00 0.00 N ATOM 1116 CA PRO A 71 -13.207 2.660 -7.447 1.00 0.00 C ATOM 1117 C PRO A 71 -13.424 1.424 -6.513 1.00 0.00 C ATOM 1118 O PRO A 71 -14.373 0.689 -6.802 1.00 0.00 O ATOM 1119 CB PRO A 71 -13.220 2.176 -8.911 1.00 0.00 C ATOM 1120 CG PRO A 71 -12.144 2.932 -9.613 1.00 0.00 C ATOM 1121 CD PRO A 71 -11.789 4.082 -8.744 1.00 0.00 C ATOM 0 HA PRO A 71 -14.013 3.290 -7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.040 1.102 -8.967 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.190 2.361 -9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.276 2.297 -9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.487 3.276 -10.589 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.761 4.406 -8.906 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.429 4.944 -8.936 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.611 1.175 -5.453 1.00 0.00 N ATOM 1130 CA ALA A 72 -12.529 -0.108 -4.752 1.00 0.00 C ATOM 1131 C ALA A 72 -11.554 -0.969 -5.458 1.00 0.00 C ATOM 1132 O ALA A 72 -11.844 -1.878 -6.209 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.880 -0.775 -4.444 1.00 0.00 C ATOM 0 H ALA A 72 -11.987 1.882 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.161 0.078 -3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.710 -1.718 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.476 -0.115 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.413 -0.965 -5.376 1.00 0.00 H new ATOM 1139 N HIS A 73 -10.378 -0.447 -5.357 1.00 0.00 N ATOM 1140 CA HIS A 73 -9.158 -0.977 -5.881 1.00 0.00 C ATOM 1141 C HIS A 73 -8.625 -2.092 -4.961 1.00 0.00 C ATOM 1142 O HIS A 73 -8.142 -3.125 -5.420 1.00 0.00 O ATOM 1143 CB HIS A 73 -8.157 0.202 -5.924 1.00 0.00 C ATOM 1144 CG HIS A 73 -8.044 0.946 -4.592 1.00 0.00 C ATOM 1145 ND1 HIS A 73 -8.884 1.982 -4.199 1.00 0.00 N ATOM 1146 CD2 HIS A 73 -7.247 0.712 -3.540 1.00 0.00 C ATOM 1147 CE1 HIS A 73 -8.571 2.304 -2.947 1.00 0.00 C ATOM 1148 NE2 HIS A 73 -7.586 1.560 -2.506 1.00 0.00 N ATOM 0 H HIS A 73 -10.230 0.435 -4.865 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.306 -1.410 -6.871 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.174 -0.175 -6.207 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.465 0.903 -6.699 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.460 -0.027 -3.507 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.062 3.075 -2.371 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.156 1.600 -1.582 1.00 0.00 H new ATOM 1156 N ALA A 74 -8.794 -1.900 -3.652 1.00 0.00 N ATOM 1157 CA ALA A 74 -8.289 -2.840 -2.676 1.00 0.00 C ATOM 1158 C ALA A 74 -9.189 -4.018 -2.603 1.00 0.00 C ATOM 1159 O ALA A 74 -8.759 -5.115 -2.309 1.00 0.00 O ATOM 1160 CB ALA A 74 -8.145 -2.192 -1.312 1.00 0.00 C ATOM 0 H ALA A 74 -9.279 -1.097 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.298 -3.167 -2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.763 -2.924 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.451 -1.354 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.117 -1.832 -0.976 1.00 0.00 H new ATOM 1166 N VAL A 75 -10.442 -3.792 -2.952 1.00 0.00 N ATOM 1167 CA VAL A 75 -11.431 -4.836 -2.935 1.00 0.00 C ATOM 1168 C VAL A 75 -11.046 -5.893 -4.007 1.00 0.00 C ATOM 1169 O VAL A 75 -11.275 -7.091 -3.839 1.00 0.00 O ATOM 1170 CB VAL A 75 -12.870 -4.247 -3.186 1.00 0.00 C ATOM 1171 CG1 VAL A 75 -13.151 -3.991 -4.639 1.00 0.00 C ATOM 1172 CG2 VAL A 75 -13.962 -5.070 -2.530 1.00 0.00 C ATOM 0 H VAL A 75 -10.794 -2.883 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.456 -5.313 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 75 -12.879 -3.273 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.157 -3.586 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.427 -3.276 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -13.073 -4.925 -5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.932 -4.618 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -13.943 -6.084 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -13.797 -5.100 -1.453 1.00 0.00 H new ATOM 1182 N ASP A 76 -10.377 -5.416 -5.069 1.00 0.00 N ATOM 1183 CA ASP A 76 -9.909 -6.266 -6.160 1.00 0.00 C ATOM 1184 C ASP A 76 -8.592 -6.896 -5.773 1.00 0.00 C ATOM 1185 O ASP A 76 -8.391 -8.107 -5.953 1.00 0.00 O ATOM 1186 CB ASP A 76 -9.721 -5.451 -7.451 1.00 0.00 C ATOM 1187 CG ASP A 76 -9.254 -6.302 -8.627 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -10.114 -6.839 -9.356 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -8.030 -6.435 -8.852 1.00 0.00 O ATOM 0 H ASP A 76 -10.149 -4.429 -5.189 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.657 -7.038 -6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.663 -4.968 -7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.995 -4.658 -7.272 1.00 0.00 H new ATOM 1194 N ALA A 77 -7.699 -6.062 -5.230 1.00 0.00 N ATOM 1195 CA ALA A 77 -6.391 -6.496 -4.760 1.00 0.00 C ATOM 1196 C ALA A 77 -6.502 -7.654 -3.764 1.00 0.00 C ATOM 1197 O ALA A 77 -5.833 -8.655 -3.913 1.00 0.00 O ATOM 1198 CB ALA A 77 -5.635 -5.333 -4.137 1.00 0.00 C ATOM 0 H ALA A 77 -7.869 -5.064 -5.106 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.835 -6.856 -5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.660 -5.676 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.501 -4.547 -4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.202 -4.941 -3.292 1.00 0.00 H new ATOM 1204 N VAL A 78 -7.374 -7.526 -2.789 1.00 0.00 N ATOM 1205 CA VAL A 78 -7.574 -8.532 -1.801 1.00 0.00 C ATOM 1206 C VAL A 78 -8.144 -9.823 -2.410 1.00 0.00 C ATOM 1207 O VAL A 78 -7.664 -10.911 -2.141 1.00 0.00 O ATOM 1208 CB VAL A 78 -8.535 -7.999 -0.722 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -8.986 -9.098 0.158 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -7.884 -6.908 0.108 1.00 0.00 C ATOM 0 H VAL A 78 -7.966 -6.704 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.607 -8.773 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.398 -7.571 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.664 -8.703 0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.504 -9.851 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.123 -9.551 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.589 -6.554 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.997 -7.306 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.598 -6.080 -0.540 1.00 0.00 H new ATOM 1220 N LYS A 79 -9.139 -9.685 -3.248 1.00 0.00 N ATOM 1221 CA LYS A 79 -9.833 -10.842 -3.772 1.00 0.00 C ATOM 1222 C LYS A 79 -8.990 -11.604 -4.817 1.00 0.00 C ATOM 1223 O LYS A 79 -9.132 -12.824 -4.971 1.00 0.00 O ATOM 1224 CB LYS A 79 -11.193 -10.415 -4.362 1.00 0.00 C ATOM 1225 CG LYS A 79 -12.110 -11.566 -4.796 1.00 0.00 C ATOM 1226 CD LYS A 79 -12.553 -12.455 -3.618 1.00 0.00 C ATOM 1227 CE LYS A 79 -13.427 -11.702 -2.609 1.00 0.00 C ATOM 1228 NZ LYS A 79 -13.872 -12.573 -1.491 1.00 0.00 N ATOM 0 H LYS A 79 -9.489 -8.788 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.004 -11.532 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.719 -9.813 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.011 -9.773 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.992 -11.156 -5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.591 -12.179 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.105 -13.313 -4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.671 -12.845 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.869 -10.856 -2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.300 -11.295 -3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.460 -12.021 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.427 -13.367 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.041 -12.941 -0.986 1.00 0.00 H new ATOM 1242 N ASN A 80 -8.097 -10.906 -5.501 1.00 0.00 N ATOM 1243 CA ASN A 80 -7.350 -11.534 -6.594 1.00 0.00 C ATOM 1244 C ASN A 80 -5.842 -11.520 -6.395 1.00 0.00 C ATOM 1245 O ASN A 80 -5.179 -12.539 -6.596 1.00 0.00 O ATOM 1246 CB ASN A 80 -7.668 -10.875 -7.943 1.00 0.00 C ATOM 1247 CG ASN A 80 -9.134 -10.925 -8.326 1.00 0.00 C ATOM 1248 OD1 ASN A 80 -9.603 -11.897 -8.922 1.00 0.00 O ATOM 1249 ND2 ASN A 80 -9.859 -9.871 -8.018 1.00 0.00 N ATOM 0 H ASN A 80 -7.871 -9.926 -5.329 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.679 -12.573 -6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.347 -9.834 -7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.083 -11.365 -8.721 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.846 -9.839 -8.273 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.434 -9.086 -7.524 1.00 0.00 H new ATOM 1256 N ALA A 81 -5.301 -10.389 -5.991 1.00 0.00 N ATOM 1257 CA ALA A 81 -3.851 -10.206 -5.932 1.00 0.00 C ATOM 1258 C ALA A 81 -3.249 -10.644 -4.606 1.00 0.00 C ATOM 1259 O ALA A 81 -2.036 -10.651 -4.451 1.00 0.00 O ATOM 1260 CB ALA A 81 -3.479 -8.762 -6.240 1.00 0.00 C ATOM 0 H ALA A 81 -5.840 -9.575 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.425 -10.856 -6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.396 -8.647 -6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.827 -8.502 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.947 -8.102 -5.510 1.00 0.00 H new ATOM 1266 N ASP A 82 -4.084 -10.963 -3.640 1.00 0.00 N ATOM 1267 CA ASP A 82 -3.580 -11.469 -2.374 1.00 0.00 C ATOM 1268 C ASP A 82 -2.810 -12.760 -2.536 1.00 0.00 C ATOM 1269 O ASP A 82 -3.360 -13.792 -2.949 1.00 0.00 O ATOM 1270 CB ASP A 82 -4.666 -11.649 -1.321 1.00 0.00 C ATOM 1271 CG ASP A 82 -4.126 -12.378 -0.102 1.00 0.00 C ATOM 1272 OD1 ASP A 82 -3.223 -11.855 0.571 1.00 0.00 O ATOM 1273 OD2 ASP A 82 -4.539 -13.530 0.155 1.00 0.00 O ATOM 0 H ASP A 82 -5.099 -10.884 -3.701 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.898 -10.696 -2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.055 -10.675 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.499 -12.209 -1.745 1.00 0.00 H new ATOM 1278 N GLY A 83 -1.542 -12.676 -2.278 1.00 0.00 N ATOM 1279 CA GLY A 83 -0.722 -13.834 -2.234 1.00 0.00 C ATOM 1280 C GLY A 83 -0.103 -14.206 -3.538 1.00 0.00 C ATOM 1281 O GLY A 83 -0.157 -15.371 -3.931 1.00 0.00 O ATOM 0 H GLY A 83 -1.052 -11.801 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.071 -13.674 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.320 -14.673 -1.878 1.00 0.00 H new ATOM 1285 N TYR A 84 0.485 -13.263 -4.224 1.00 0.00 N ATOM 1286 CA TYR A 84 1.191 -13.622 -5.432 1.00 0.00 C ATOM 1287 C TYR A 84 2.692 -13.517 -5.207 1.00 0.00 C ATOM 1288 O TYR A 84 3.175 -12.547 -4.593 1.00 0.00 O ATOM 1289 CB TYR A 84 0.710 -12.843 -6.680 1.00 0.00 C ATOM 1290 CG TYR A 84 1.102 -11.382 -6.793 1.00 0.00 C ATOM 1291 CD1 TYR A 84 0.357 -10.386 -6.192 1.00 0.00 C ATOM 1292 CD2 TYR A 84 2.203 -11.004 -7.550 1.00 0.00 C ATOM 1293 CE1 TYR A 84 0.691 -9.056 -6.335 1.00 0.00 C ATOM 1294 CE2 TYR A 84 2.549 -9.680 -7.692 1.00 0.00 C ATOM 1295 CZ TYR A 84 1.787 -8.710 -7.085 1.00 0.00 C ATOM 1296 OH TYR A 84 2.125 -7.379 -7.231 1.00 0.00 O ATOM 0 H TYR A 84 0.493 -12.272 -3.982 1.00 0.00 H new ATOM 0 HA TYR A 84 0.954 -14.662 -5.657 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.085 -13.360 -7.563 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.378 -12.902 -6.714 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.504 -10.654 -5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.798 -11.763 -8.036 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.094 -8.292 -5.860 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.414 -9.404 -8.277 1.00 0.00 H new ATOM 0 HH TYR A 84 2.926 -7.304 -7.790 1.00 0.00 H new ATOM 1306 N LYS A 85 3.413 -14.526 -5.643 1.00 0.00 N ATOM 1307 CA LYS A 85 4.846 -14.600 -5.436 1.00 0.00 C ATOM 1308 C LYS A 85 5.625 -14.203 -6.667 1.00 0.00 C ATOM 1309 O LYS A 85 5.389 -14.711 -7.763 1.00 0.00 O ATOM 1310 CB LYS A 85 5.317 -15.986 -4.910 1.00 0.00 C ATOM 1311 CG LYS A 85 4.738 -17.207 -5.630 1.00 0.00 C ATOM 1312 CD LYS A 85 3.382 -17.612 -5.062 1.00 0.00 C ATOM 1313 CE LYS A 85 2.786 -18.784 -5.819 1.00 0.00 C ATOM 1314 NZ LYS A 85 1.547 -19.275 -5.187 1.00 0.00 N ATOM 0 H LYS A 85 3.024 -15.320 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 85 5.060 -13.872 -4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.404 -16.029 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.062 -16.057 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.635 -16.987 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.432 -18.043 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.492 -17.876 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.699 -16.763 -5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.575 -18.484 -6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.514 -19.593 -5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.172 -20.076 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.752 -19.586 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.842 -18.510 -5.164 1.00 0.00 H new ATOM 1328 N LEU A 86 6.544 -13.300 -6.480 1.00 0.00 N ATOM 1329 CA LEU A 86 7.403 -12.846 -7.562 1.00 0.00 C ATOM 1330 C LEU A 86 8.578 -13.781 -7.709 1.00 0.00 C ATOM 1331 O LEU A 86 8.746 -14.453 -8.733 1.00 0.00 O ATOM 1332 CB LEU A 86 7.984 -11.443 -7.304 1.00 0.00 C ATOM 1333 CG LEU A 86 7.038 -10.257 -7.202 1.00 0.00 C ATOM 1334 CD1 LEU A 86 7.856 -8.986 -7.047 1.00 0.00 C ATOM 1335 CD2 LEU A 86 6.146 -10.167 -8.426 1.00 0.00 C ATOM 0 H LEU A 86 6.727 -12.853 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 86 6.781 -12.823 -8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.554 -11.489 -6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.693 -11.229 -8.103 1.00 0.00 H new ATOM 0 HG LEU A 86 6.393 -10.387 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.186 -8.129 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.463 -9.052 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.507 -8.864 -7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.479 -9.310 -8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.762 -10.047 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.555 -11.079 -8.513 1.00 0.00 H new ATOM 1347 N ASP A 87 9.363 -13.831 -6.661 1.00 0.00 N ATOM 1348 CA ASP A 87 10.624 -14.532 -6.628 1.00 0.00 C ATOM 1349 C ASP A 87 10.983 -14.758 -5.176 1.00 0.00 C ATOM 1350 O ASP A 87 10.533 -13.992 -4.331 1.00 0.00 O ATOM 1351 CB ASP A 87 11.688 -13.650 -7.318 1.00 0.00 C ATOM 1352 CG ASP A 87 13.100 -14.165 -7.200 1.00 0.00 C ATOM 1353 OD1 ASP A 87 13.479 -15.088 -7.940 1.00 0.00 O ATOM 1354 OD2 ASP A 87 13.842 -13.652 -6.361 1.00 0.00 O ATOM 0 H ASP A 87 9.135 -13.371 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 87 10.569 -15.490 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.436 -13.558 -8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.643 -12.648 -6.891 1.00 0.00 H new ATOM 1359 N LYS A 88 11.769 -15.788 -4.900 1.00 0.00 N ATOM 1360 CA LYS A 88 12.211 -16.162 -3.567 1.00 0.00 C ATOM 1361 C LYS A 88 11.093 -16.170 -2.494 1.00 0.00 C ATOM 1362 O LYS A 88 10.217 -17.053 -2.493 1.00 0.00 O ATOM 1363 CB LYS A 88 13.356 -15.282 -3.162 1.00 0.00 C ATOM 1364 CG LYS A 88 14.688 -15.549 -3.835 1.00 0.00 C ATOM 1365 CD LYS A 88 15.718 -14.495 -3.423 1.00 0.00 C ATOM 1366 CE LYS A 88 15.942 -14.473 -1.910 1.00 0.00 C ATOM 1367 NZ LYS A 88 16.859 -13.400 -1.502 1.00 0.00 N ATOM 0 H LYS A 88 12.129 -16.408 -5.625 1.00 0.00 H new ATOM 0 HA LYS A 88 12.536 -17.201 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.076 -14.247 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.494 -15.376 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.047 -16.542 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.563 -15.540 -4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.664 -14.696 -3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.383 -13.512 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.985 -14.343 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.344 -15.434 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.916 -13.368 -0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.804 -13.583 -1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.507 -12.488 -1.858 1.00 0.00 H new ATOM 1381 N GLN A 89 11.111 -15.182 -1.602 1.00 0.00 N ATOM 1382 CA GLN A 89 10.145 -15.095 -0.521 1.00 0.00 C ATOM 1383 C GLN A 89 9.110 -14.031 -0.834 1.00 0.00 C ATOM 1384 O GLN A 89 8.067 -13.951 -0.181 1.00 0.00 O ATOM 1385 CB GLN A 89 10.823 -14.755 0.849 1.00 0.00 C ATOM 1386 CG GLN A 89 11.279 -13.278 1.062 1.00 0.00 C ATOM 1387 CD GLN A 89 12.554 -12.848 0.333 1.00 0.00 C ATOM 1388 OE1 GLN A 89 12.901 -13.362 -0.720 1.00 0.00 O ATOM 1389 NE2 GLN A 89 13.231 -11.868 0.880 1.00 0.00 N ATOM 0 H GLN A 89 11.794 -14.425 -1.612 1.00 0.00 H new ATOM 0 HA GLN A 89 9.671 -16.073 -0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.126 -15.013 1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.694 -15.400 0.966 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.468 -12.621 0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.425 -13.116 2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.916 -11.459 1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.073 -11.514 0.426 1.00 0.00 H new ATOM 1398 N HIS A 90 9.383 -13.263 -1.873 1.00 0.00 N ATOM 1399 CA HIS A 90 8.605 -12.077 -2.222 1.00 0.00 C ATOM 1400 C HIS A 90 7.232 -12.450 -2.687 1.00 0.00 C ATOM 1401 O HIS A 90 7.016 -12.792 -3.851 1.00 0.00 O ATOM 1402 CB HIS A 90 9.296 -11.248 -3.297 1.00 0.00 C ATOM 1403 CG HIS A 90 10.729 -10.961 -3.005 1.00 0.00 C ATOM 1404 ND1 HIS A 90 11.764 -11.257 -3.867 1.00 0.00 N ATOM 1405 CD2 HIS A 90 11.295 -10.406 -1.920 1.00 0.00 C ATOM 1406 CE1 HIS A 90 12.898 -10.880 -3.290 1.00 0.00 C ATOM 1407 NE2 HIS A 90 12.669 -10.353 -2.100 1.00 0.00 N ATOM 0 H HIS A 90 10.160 -13.443 -2.509 1.00 0.00 H new ATOM 0 HA HIS A 90 8.525 -11.475 -1.317 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.227 -11.774 -4.249 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.763 -10.305 -3.415 1.00 0.00 H new ATOM 0 HD1 HIS A 90 11.674 -11.690 -4.786 1.00 0.00 H new ATOM 0 HD2 HIS A 90 10.764 -10.057 -1.047 1.00 0.00 H new ATOM 0 HE1 HIS A 90 13.877 -10.989 -3.733 1.00 0.00 H new ATOM 1415 N THR A 91 6.348 -12.439 -1.767 1.00 0.00 N ATOM 1416 CA THR A 91 4.994 -12.791 -1.975 1.00 0.00 C ATOM 1417 C THR A 91 4.161 -11.718 -1.325 1.00 0.00 C ATOM 1418 O THR A 91 4.270 -11.489 -0.113 1.00 0.00 O ATOM 1419 CB THR A 91 4.710 -14.153 -1.317 1.00 0.00 C ATOM 1420 OG1 THR A 91 5.831 -15.031 -1.560 1.00 0.00 O ATOM 1421 CG2 THR A 91 3.462 -14.767 -1.918 1.00 0.00 C ATOM 0 H THR A 91 6.554 -12.173 -0.804 1.00 0.00 H new ATOM 0 HA THR A 91 4.762 -12.872 -3.037 1.00 0.00 H new ATOM 0 HB THR A 91 4.562 -14.015 -0.246 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.592 -14.750 -1.011 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.268 -15.731 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.613 -14.104 -1.751 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.606 -14.909 -2.989 1.00 0.00 H new ATOM 1429 N PHE A 92 3.374 -11.046 -2.089 1.00 0.00 N ATOM 1430 CA PHE A 92 2.618 -9.956 -1.554 1.00 0.00 C ATOM 1431 C PHE A 92 1.298 -10.430 -1.062 1.00 0.00 C ATOM 1432 O PHE A 92 0.431 -10.790 -1.857 1.00 0.00 O ATOM 1433 CB PHE A 92 2.403 -8.864 -2.590 1.00 0.00 C ATOM 1434 CG PHE A 92 3.660 -8.355 -3.187 1.00 0.00 C ATOM 1435 CD1 PHE A 92 4.514 -7.548 -2.462 1.00 0.00 C ATOM 1436 CD2 PHE A 92 3.987 -8.681 -4.480 1.00 0.00 C ATOM 1437 CE1 PHE A 92 5.679 -7.078 -3.033 1.00 0.00 C ATOM 1438 CE2 PHE A 92 5.135 -8.219 -5.052 1.00 0.00 C ATOM 1439 CZ PHE A 92 5.987 -7.418 -4.334 1.00 0.00 C ATOM 0 H PHE A 92 3.233 -11.226 -3.083 1.00 0.00 H new ATOM 0 HA PHE A 92 3.191 -9.541 -0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.764 -9.249 -3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.870 -8.035 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.269 -7.284 -1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.325 -9.313 -5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.346 -6.447 -2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.374 -8.484 -6.071 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.897 -7.054 -4.787 1.00 0.00 H new ATOM 1449 N ARG A 93 1.156 -10.515 0.231 1.00 0.00 N ATOM 1450 CA ARG A 93 -0.146 -10.787 0.782 1.00 0.00 C ATOM 1451 C ARG A 93 -0.826 -9.470 0.835 1.00 0.00 C ATOM 1452 O ARG A 93 -0.175 -8.464 1.083 1.00 0.00 O ATOM 1453 CB ARG A 93 -0.135 -11.347 2.219 1.00 0.00 C ATOM 1454 CG ARG A 93 0.768 -12.538 2.495 1.00 0.00 C ATOM 1455 CD ARG A 93 0.616 -13.630 1.477 1.00 0.00 C ATOM 1456 NE ARG A 93 -0.797 -14.019 1.269 1.00 0.00 N ATOM 1457 CZ ARG A 93 -1.223 -15.177 0.747 1.00 0.00 C ATOM 1458 NH1 ARG A 93 -0.364 -16.166 0.513 1.00 0.00 N ATOM 1459 NH2 ARG A 93 -2.511 -15.339 0.459 1.00 0.00 N ATOM 0 H ARG A 93 1.907 -10.403 0.913 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.626 -11.544 0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.154 -10.541 2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.155 -11.629 2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.806 -12.205 2.512 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.544 -12.936 3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.042 -13.301 0.529 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.186 -14.502 1.797 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.510 -13.345 1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.625 -16.045 0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.695 -17.045 0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.172 -14.583 0.636 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.838 -16.220 0.061 1.00 0.00 H new ATOM 1473 N VAL A 94 -2.059 -9.448 0.581 1.00 0.00 N ATOM 1474 CA VAL A 94 -2.798 -8.234 0.667 1.00 0.00 C ATOM 1475 C VAL A 94 -3.656 -8.310 1.919 1.00 0.00 C ATOM 1476 O VAL A 94 -4.599 -9.100 1.997 1.00 0.00 O ATOM 1477 CB VAL A 94 -3.650 -7.990 -0.601 1.00 0.00 C ATOM 1478 CG1 VAL A 94 -4.409 -6.692 -0.497 1.00 0.00 C ATOM 1479 CG2 VAL A 94 -2.766 -7.964 -1.844 1.00 0.00 C ATOM 0 H VAL A 94 -2.605 -10.264 0.305 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.118 -7.385 0.731 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.363 -8.810 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.000 -6.543 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.071 -6.726 0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.705 -5.867 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.383 -7.791 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.032 -7.163 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.250 -8.919 -1.944 1.00 0.00 H new ATOM 1489 N ASN A 95 -3.272 -7.562 2.918 1.00 0.00 N ATOM 1490 CA ASN A 95 -3.916 -7.560 4.165 1.00 0.00 C ATOM 1491 C ASN A 95 -4.830 -6.351 4.276 1.00 0.00 C ATOM 1492 O ASN A 95 -4.709 -5.393 3.502 1.00 0.00 O ATOM 1493 CB ASN A 95 -2.836 -7.643 5.266 1.00 0.00 C ATOM 1494 CG ASN A 95 -3.275 -7.224 6.637 1.00 0.00 C ATOM 1495 OD1 ASN A 95 -3.782 -8.006 7.433 1.00 0.00 O ATOM 1496 ND2 ASN A 95 -3.089 -5.987 6.894 1.00 0.00 N ATOM 0 H ASN A 95 -2.477 -6.925 2.866 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.567 -8.426 4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -2.474 -8.670 5.318 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -1.991 -7.022 4.969 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.367 -5.607 7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.662 -5.379 6.195 1.00 0.00 H new