USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 670 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 Single : A 16 THR OG1 : rot -29:sc= 0.744 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 24 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.79) USER MOD Single : A 28 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.4) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -3.13! C(o=-3.1!,f=-5.2!) USER MOD Single : A 40 GLN : amide:sc= -0.0205 K(o=-0.021,f=-1.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 53 TYR OH : rot -35:sc= -2.93! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.289 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0298 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.0043 X(o=-0.0043,f=-0.0043) USER MOD Single : A 70 THR OG1 : rot 165:sc= 0.195 USER MOD Single : A 71 ASN : amide:sc=-0.00308 X(o=-0.0031,f=-0.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 74 SER OG : rot 180:sc= -0.243 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.119 USER MOD Single : A 90 LYS NZ :NH3+ -123:sc= -1.48! (180deg=-6.05!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 140:sc= -1.29 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -7:sc= -0.269! USER MOD Single : A 101 SER OG : rot 88:sc= -1.61! USER MOD Single : A 103 GLN : amide:sc= -0.494 K(o=-0.49,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -5.674 -24.519 -0.578 1.00 0.00 N ATOM 199 CA THR A 16 -4.849 -23.655 -1.406 1.00 0.00 C ATOM 200 C THR A 16 -5.381 -22.221 -1.374 1.00 0.00 C ATOM 201 O THR A 16 -6.562 -21.998 -1.114 1.00 0.00 O ATOM 202 CB THR A 16 -4.800 -24.254 -2.813 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.117 -24.756 -3.023 1.00 0.00 O ATOM 204 CG2 THR A 16 -3.910 -25.497 -2.889 1.00 0.00 C ATOM 0 HA THR A 16 -3.829 -23.599 -1.026 1.00 0.00 H new ATOM 0 HB THR A 16 -4.436 -23.504 -3.515 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.508 -25.017 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.910 -25.883 -3.908 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.892 -25.234 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.293 -26.261 -2.212 1.00 0.00 H new ATOM 212 N PRO A 17 -4.459 -21.260 -1.651 1.00 0.00 N ATOM 213 CA PRO A 17 -4.823 -19.853 -1.657 1.00 0.00 C ATOM 214 C PRO A 17 -5.620 -19.499 -2.914 1.00 0.00 C ATOM 215 O PRO A 17 -5.486 -20.156 -3.944 1.00 0.00 O ATOM 216 CB PRO A 17 -3.503 -19.105 -1.560 1.00 0.00 C ATOM 217 CG PRO A 17 -2.429 -20.099 -1.971 1.00 0.00 C ATOM 218 CD PRO A 17 -3.051 -21.486 -1.964 1.00 0.00 C ATOM 0 HA PRO A 17 -5.479 -19.584 -0.829 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.499 -18.233 -2.214 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.333 -18.743 -0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.045 -19.858 -2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.585 -20.056 -1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.934 -21.977 -2.930 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.578 -22.128 -1.221 1.00 0.00 H new ATOM 226 N PRO A 18 -6.455 -18.432 -2.783 1.00 0.00 N ATOM 227 CA PRO A 18 -7.274 -17.982 -3.895 1.00 0.00 C ATOM 228 C PRO A 18 -6.430 -17.239 -4.932 1.00 0.00 C ATOM 229 O PRO A 18 -5.475 -16.547 -4.581 1.00 0.00 O ATOM 230 CB PRO A 18 -8.346 -17.109 -3.266 1.00 0.00 C ATOM 231 CG PRO A 18 -7.819 -16.725 -1.893 1.00 0.00 C ATOM 232 CD PRO A 18 -6.639 -17.630 -1.577 1.00 0.00 C ATOM 0 HA PRO A 18 -7.724 -18.807 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.535 -16.224 -3.873 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.290 -17.647 -3.185 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.512 -15.679 -1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.599 -16.837 -1.140 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.745 -17.050 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.843 -18.259 -0.710 1.00 0.00 H new ATOM 240 N SER A 19 -6.811 -17.407 -6.190 1.00 0.00 N ATOM 241 CA SER A 19 -6.101 -16.761 -7.280 1.00 0.00 C ATOM 242 C SER A 19 -6.709 -15.384 -7.557 1.00 0.00 C ATOM 243 O SER A 19 -6.677 -14.904 -8.689 1.00 0.00 O ATOM 244 CB SER A 19 -6.135 -17.620 -8.546 1.00 0.00 C ATOM 245 OG SER A 19 -5.464 -18.863 -8.365 1.00 0.00 O ATOM 0 H SER A 19 -7.603 -17.982 -6.478 1.00 0.00 H new ATOM 0 HA SER A 19 -5.059 -16.639 -6.984 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.171 -17.805 -8.831 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.671 -17.074 -9.367 1.00 0.00 H new ATOM 0 HG SER A 19 -5.509 -19.383 -9.194 1.00 0.00 H new ATOM 251 N GLN A 20 -7.248 -14.788 -6.504 1.00 0.00 N ATOM 252 CA GLN A 20 -7.862 -13.476 -6.619 1.00 0.00 C ATOM 253 C GLN A 20 -7.020 -12.429 -5.887 1.00 0.00 C ATOM 254 O GLN A 20 -6.968 -12.418 -4.658 1.00 0.00 O ATOM 255 CB GLN A 20 -9.297 -13.494 -6.088 1.00 0.00 C ATOM 256 CG GLN A 20 -9.660 -12.155 -5.443 1.00 0.00 C ATOM 257 CD GLN A 20 -11.173 -12.027 -5.257 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.917 -12.991 -5.332 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.585 -10.787 -5.012 1.00 0.00 N ATOM 0 H GLN A 20 -7.272 -15.190 -5.567 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.903 -13.207 -7.675 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.988 -13.708 -6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.408 -14.295 -5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.163 -12.066 -4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.296 -11.337 -6.065 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.908 -10.025 -4.962 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.578 -10.597 -4.874 1.00 0.00 H new ATOM 268 N PRO A 21 -6.363 -11.553 -6.694 1.00 0.00 N ATOM 269 CA PRO A 21 -5.526 -10.505 -6.136 1.00 0.00 C ATOM 270 C PRO A 21 -6.377 -9.379 -5.547 1.00 0.00 C ATOM 271 O PRO A 21 -7.509 -9.161 -5.976 1.00 0.00 O ATOM 272 CB PRO A 21 -4.649 -10.046 -7.290 1.00 0.00 C ATOM 273 CG PRO A 21 -5.343 -10.523 -8.556 1.00 0.00 C ATOM 274 CD PRO A 21 -6.401 -11.537 -8.153 1.00 0.00 C ATOM 0 HA PRO A 21 -4.915 -10.853 -5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.539 -8.962 -7.290 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.647 -10.468 -7.211 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.799 -9.684 -9.081 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.623 -10.973 -9.240 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.386 -11.249 -8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.183 -12.522 -8.566 1.00 0.00 H new ATOM 282 N PRO A 22 -5.784 -8.673 -4.547 1.00 0.00 N ATOM 283 CA PRO A 22 -6.475 -7.574 -3.894 1.00 0.00 C ATOM 284 C PRO A 22 -6.509 -6.337 -4.794 1.00 0.00 C ATOM 285 O PRO A 22 -5.464 -5.820 -5.185 1.00 0.00 O ATOM 286 CB PRO A 22 -5.715 -7.346 -2.598 1.00 0.00 C ATOM 287 CG PRO A 22 -4.359 -8.006 -2.788 1.00 0.00 C ATOM 288 CD PRO A 22 -4.444 -8.902 -4.013 1.00 0.00 C ATOM 0 HA PRO A 22 -7.523 -7.796 -3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.606 -6.281 -2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.246 -7.782 -1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.583 -7.252 -2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.091 -8.589 -1.907 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.677 -8.647 -4.744 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.297 -9.949 -3.749 1.00 0.00 H new ATOM 296 N GLY A 23 -7.723 -5.897 -5.095 1.00 0.00 N ATOM 297 CA GLY A 23 -7.907 -4.730 -5.940 1.00 0.00 C ATOM 298 C GLY A 23 -8.100 -3.468 -5.098 1.00 0.00 C ATOM 299 O GLY A 23 -7.938 -3.499 -3.879 1.00 0.00 O ATOM 0 H GLY A 23 -8.588 -6.328 -4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.041 -4.608 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.773 -4.877 -6.585 1.00 0.00 H new ATOM 303 N ASN A 24 -8.444 -2.386 -5.782 1.00 0.00 N ATOM 304 CA ASN A 24 -8.661 -1.115 -5.112 1.00 0.00 C ATOM 305 C ASN A 24 -7.422 -0.760 -4.287 1.00 0.00 C ATOM 306 O ASN A 24 -7.506 0.017 -3.337 1.00 0.00 O ATOM 307 CB ASN A 24 -9.856 -1.191 -4.160 1.00 0.00 C ATOM 308 CG ASN A 24 -10.682 0.096 -4.213 1.00 0.00 C ATOM 309 OD1 ASN A 24 -10.921 0.668 -5.263 1.00 0.00 O ATOM 310 ND2 ASN A 24 -11.103 0.518 -3.023 1.00 0.00 N ATOM 0 H ASN A 24 -8.578 -2.364 -6.793 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.855 -0.361 -5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.484 -2.041 -4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.505 -1.360 -3.142 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.662 1.368 -2.952 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.867 -0.009 -2.182 1.00 0.00 H new ATOM 317 N VAL A 25 -6.301 -1.346 -4.680 1.00 0.00 N ATOM 318 CA VAL A 25 -5.046 -1.101 -3.989 1.00 0.00 C ATOM 319 C VAL A 25 -4.640 0.361 -4.181 1.00 0.00 C ATOM 320 O VAL A 25 -3.940 0.695 -5.136 1.00 0.00 O ATOM 321 CB VAL A 25 -3.980 -2.086 -4.475 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.702 -1.965 -3.643 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.512 -3.521 -4.458 1.00 0.00 C ATOM 0 H VAL A 25 -6.235 -1.990 -5.468 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.161 -1.269 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.734 -1.832 -5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.961 -2.676 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.307 -0.953 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.926 -2.180 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.735 -4.201 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.800 -3.790 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.381 -3.595 -5.112 1.00 0.00 H new ATOM 333 N VAL A 26 -5.096 1.195 -3.258 1.00 0.00 N ATOM 334 CA VAL A 26 -4.789 2.614 -3.314 1.00 0.00 C ATOM 335 C VAL A 26 -3.758 2.951 -2.235 1.00 0.00 C ATOM 336 O VAL A 26 -3.637 2.236 -1.242 1.00 0.00 O ATOM 337 CB VAL A 26 -6.076 3.433 -3.188 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.084 3.040 -4.270 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.684 3.288 -1.792 1.00 0.00 C ATOM 0 H VAL A 26 -5.676 0.915 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.348 2.872 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.821 4.483 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.989 3.637 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.650 3.220 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.331 1.983 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.597 3.880 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.917 2.240 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.971 3.641 -1.046 1.00 0.00 H new ATOM 349 N TRP A 27 -3.041 4.041 -2.467 1.00 0.00 N ATOM 350 CA TRP A 27 -2.024 4.482 -1.527 1.00 0.00 C ATOM 351 C TRP A 27 -2.298 5.948 -1.188 1.00 0.00 C ATOM 352 O TRP A 27 -3.231 6.548 -1.718 1.00 0.00 O ATOM 353 CB TRP A 27 -0.621 4.250 -2.090 1.00 0.00 C ATOM 354 CG TRP A 27 -0.368 4.936 -3.435 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.659 4.480 -4.660 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.242 6.228 -3.640 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.282 5.379 -5.637 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.283 6.476 -4.997 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.742 7.156 -2.710 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.815 7.648 -5.546 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.271 8.322 -3.275 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.320 8.587 -4.638 1.00 0.00 C ATOM 0 H TRP A 27 -3.144 4.632 -3.292 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.069 3.898 -0.607 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.113 4.608 -1.368 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.459 3.178 -2.204 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.130 3.528 -4.858 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.397 5.260 -6.644 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.720 6.983 -1.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.835 7.819 -6.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.669 9.069 -2.604 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.746 9.513 -4.996 1.00 0.00 H new ATOM 373 N ASN A 28 -1.467 6.483 -0.305 1.00 0.00 N ATOM 374 CA ASN A 28 -1.607 7.868 0.111 1.00 0.00 C ATOM 375 C ASN A 28 -0.350 8.298 0.869 1.00 0.00 C ATOM 376 O ASN A 28 0.424 7.457 1.323 1.00 0.00 O ATOM 377 CB ASN A 28 -2.806 8.043 1.046 1.00 0.00 C ATOM 378 CG ASN A 28 -4.097 8.242 0.251 1.00 0.00 C ATOM 379 OD1 ASN A 28 -4.299 9.245 -0.415 1.00 0.00 O ATOM 380 ND2 ASN A 28 -4.959 7.235 0.357 1.00 0.00 N ATOM 0 H ASN A 28 -0.694 5.982 0.134 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.754 8.475 -0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.902 7.167 1.688 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.641 8.900 1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.851 7.273 -0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.728 6.424 0.931 1.00 0.00 H new ATOM 387 N ALA A 29 -0.185 9.608 0.982 1.00 0.00 N ATOM 388 CA ALA A 29 0.966 10.160 1.676 1.00 0.00 C ATOM 389 C ALA A 29 0.514 11.331 2.551 1.00 0.00 C ATOM 390 O ALA A 29 -0.071 12.293 2.054 1.00 0.00 O ATOM 391 CB ALA A 29 2.030 10.571 0.656 1.00 0.00 C ATOM 0 H ALA A 29 -0.829 10.303 0.605 1.00 0.00 H new ATOM 0 HA ALA A 29 1.414 9.412 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.893 10.985 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.338 9.698 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.618 11.323 -0.017 1.00 0.00 H new ATOM 397 N THR A 30 0.802 11.212 3.839 1.00 0.00 N ATOM 398 CA THR A 30 0.433 12.249 4.788 1.00 0.00 C ATOM 399 C THR A 30 1.505 12.387 5.871 1.00 0.00 C ATOM 400 O THR A 30 2.106 11.397 6.284 1.00 0.00 O ATOM 401 CB THR A 30 -0.952 11.909 5.344 1.00 0.00 C ATOM 402 OG1 THR A 30 -0.916 12.394 6.683 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.168 10.403 5.498 1.00 0.00 C ATOM 0 H THR A 30 1.287 10.413 4.248 1.00 0.00 H new ATOM 0 HA THR A 30 0.376 13.225 4.306 1.00 0.00 H new ATOM 0 HB THR A 30 -1.718 12.319 4.686 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.776 12.216 7.118 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.166 10.217 5.896 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.069 9.920 4.526 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.423 9.997 6.182 1.00 0.00 H new ATOM 411 N ASP A 31 1.711 13.624 6.299 1.00 0.00 N ATOM 412 CA ASP A 31 2.700 13.905 7.326 1.00 0.00 C ATOM 413 C ASP A 31 4.039 13.283 6.922 1.00 0.00 C ATOM 414 O ASP A 31 4.847 13.922 6.252 1.00 0.00 O ATOM 415 CB ASP A 31 2.285 13.303 8.670 1.00 0.00 C ATOM 416 CG ASP A 31 1.263 14.124 9.458 1.00 0.00 C ATOM 417 OD1 ASP A 31 1.277 15.363 9.287 1.00 0.00 O ATOM 418 OD2 ASP A 31 0.491 13.496 10.214 1.00 0.00 O ATOM 0 H ASP A 31 1.210 14.443 5.953 1.00 0.00 H new ATOM 0 HA ASP A 31 2.784 14.987 7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.873 12.309 8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.176 13.174 9.284 1.00 0.00 H new ATOM 423 N THR A 32 4.231 12.043 7.348 1.00 0.00 N ATOM 424 CA THR A 32 5.457 11.327 7.040 1.00 0.00 C ATOM 425 C THR A 32 5.214 9.817 7.066 1.00 0.00 C ATOM 426 O THR A 32 6.002 9.068 7.642 1.00 0.00 O ATOM 427 CB THR A 32 6.533 11.787 8.026 1.00 0.00 C ATOM 428 OG1 THR A 32 5.922 11.632 9.304 1.00 0.00 O ATOM 429 CG2 THR A 32 6.816 13.287 7.927 1.00 0.00 C ATOM 0 H THR A 32 3.558 11.516 7.904 1.00 0.00 H new ATOM 0 HA THR A 32 5.803 11.551 6.031 1.00 0.00 H new ATOM 0 HB THR A 32 7.453 11.232 7.844 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.552 11.906 10.003 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.587 13.560 8.648 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.159 13.527 6.921 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.904 13.844 8.142 1.00 0.00 H new ATOM 437 N LYS A 33 4.121 9.415 6.434 1.00 0.00 N ATOM 438 CA LYS A 33 3.765 8.007 6.377 1.00 0.00 C ATOM 439 C LYS A 33 3.067 7.716 5.048 1.00 0.00 C ATOM 440 O LYS A 33 2.854 8.621 4.242 1.00 0.00 O ATOM 441 CB LYS A 33 2.940 7.614 7.604 1.00 0.00 C ATOM 442 CG LYS A 33 3.581 6.436 8.341 1.00 0.00 C ATOM 443 CD LYS A 33 2.655 5.904 9.437 1.00 0.00 C ATOM 444 CE LYS A 33 2.794 6.726 10.720 1.00 0.00 C ATOM 445 NZ LYS A 33 3.432 5.920 11.785 1.00 0.00 N ATOM 0 H LYS A 33 3.470 10.039 5.957 1.00 0.00 H new ATOM 0 HA LYS A 33 4.660 7.385 6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.855 8.467 8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.928 7.349 7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.807 5.639 7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.528 6.750 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.622 5.935 9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.891 4.860 9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.389 7.618 10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.812 7.064 11.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.519 6.493 12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.849 5.082 11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.377 5.618 11.473 1.00 0.00 H new ATOM 459 N VAL A 34 2.729 6.448 4.859 1.00 0.00 N ATOM 460 CA VAL A 34 2.059 6.026 3.640 1.00 0.00 C ATOM 461 C VAL A 34 0.854 5.155 4.002 1.00 0.00 C ATOM 462 O VAL A 34 1.011 3.988 4.355 1.00 0.00 O ATOM 463 CB VAL A 34 3.052 5.319 2.715 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.331 4.665 1.535 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.133 6.286 2.230 1.00 0.00 C ATOM 0 H VAL A 34 2.907 5.700 5.529 1.00 0.00 H new ATOM 0 HA VAL A 34 1.683 6.890 3.091 1.00 0.00 H new ATOM 0 HB VAL A 34 3.541 4.531 3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.059 4.169 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.616 3.931 1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.803 5.428 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.826 5.758 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.668 7.106 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.676 6.684 3.087 1.00 0.00 H new ATOM 475 N LEU A 35 -0.322 5.757 3.901 1.00 0.00 N ATOM 476 CA LEU A 35 -1.553 5.051 4.212 1.00 0.00 C ATOM 477 C LEU A 35 -1.985 4.228 2.997 1.00 0.00 C ATOM 478 O LEU A 35 -2.364 4.786 1.968 1.00 0.00 O ATOM 479 CB LEU A 35 -2.622 6.029 4.704 1.00 0.00 C ATOM 480 CG LEU A 35 -2.253 6.862 5.933 1.00 0.00 C ATOM 481 CD1 LEU A 35 -3.462 7.647 6.447 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.633 5.987 7.024 1.00 0.00 C ATOM 0 H LEU A 35 -0.448 6.726 3.608 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.393 4.350 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.867 6.709 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.526 5.464 4.930 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.498 7.590 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.172 8.230 7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.820 8.317 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.257 6.953 6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.380 6.605 7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.347 5.220 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.730 5.512 6.640 1.00 0.00 H new ATOM 494 N LEU A 36 -1.915 2.915 3.157 1.00 0.00 N ATOM 495 CA LEU A 36 -2.295 2.009 2.085 1.00 0.00 C ATOM 496 C LEU A 36 -3.732 1.534 2.310 1.00 0.00 C ATOM 497 O LEU A 36 -4.232 1.567 3.434 1.00 0.00 O ATOM 498 CB LEU A 36 -1.282 0.869 1.964 1.00 0.00 C ATOM 499 CG LEU A 36 0.133 1.271 1.541 1.00 0.00 C ATOM 500 CD1 LEU A 36 0.981 0.037 1.224 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.096 2.256 0.371 1.00 0.00 C ATOM 0 H LEU A 36 -1.601 2.456 4.012 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.276 2.525 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.221 0.360 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.663 0.145 1.244 1.00 0.00 H new ATOM 0 HG LEU A 36 0.608 1.783 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.982 0.350 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.047 -0.596 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.519 -0.523 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.114 2.526 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.404 1.792 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.448 3.153 0.667 1.00 0.00 H new ATOM 513 N ASN A 37 -4.355 1.102 1.224 1.00 0.00 N ATOM 514 CA ASN A 37 -5.725 0.621 1.288 1.00 0.00 C ATOM 515 C ASN A 37 -6.033 -0.196 0.032 1.00 0.00 C ATOM 516 O ASN A 37 -5.895 0.300 -1.085 1.00 0.00 O ATOM 517 CB ASN A 37 -6.715 1.785 1.350 1.00 0.00 C ATOM 518 CG ASN A 37 -6.071 3.020 1.983 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.219 3.674 1.404 1.00 0.00 O ATOM 520 ND2 ASN A 37 -6.525 3.303 3.201 1.00 0.00 N ATOM 0 H ASN A 37 -3.937 1.075 0.294 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.827 0.013 2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.062 2.026 0.345 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.591 1.491 1.928 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.158 4.109 3.707 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.240 2.714 3.628 1.00 0.00 H new ATOM 527 N TRP A 38 -6.445 -1.435 0.257 1.00 0.00 N ATOM 528 CA TRP A 38 -6.774 -2.326 -0.843 1.00 0.00 C ATOM 529 C TRP A 38 -8.023 -3.118 -0.452 1.00 0.00 C ATOM 530 O TRP A 38 -8.287 -3.323 0.732 1.00 0.00 O ATOM 531 CB TRP A 38 -5.586 -3.221 -1.198 1.00 0.00 C ATOM 532 CG TRP A 38 -5.109 -4.109 -0.047 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.517 -5.348 0.262 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.113 -3.774 0.942 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.858 -5.834 1.373 1.00 0.00 N ATOM 536 CE2 TRP A 38 -3.978 -4.847 1.800 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.351 -2.604 1.106 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.088 -4.856 2.881 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.467 -2.629 2.191 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.319 -3.701 3.064 1.00 0.00 C ATOM 0 H TRP A 38 -6.559 -1.843 1.185 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.991 -1.758 -1.748 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.861 -3.854 -2.042 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.757 -2.594 -1.527 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.267 -5.897 -0.289 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.992 -6.750 1.802 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.441 -1.753 0.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.000 -5.708 3.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.857 -1.754 2.362 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.614 -3.643 3.880 1.00 0.00 H new ATOM 551 N GLU A 39 -8.759 -3.541 -1.469 1.00 0.00 N ATOM 552 CA GLU A 39 -9.974 -4.307 -1.247 1.00 0.00 C ATOM 553 C GLU A 39 -9.649 -5.627 -0.545 1.00 0.00 C ATOM 554 O GLU A 39 -8.484 -5.925 -0.284 1.00 0.00 O ATOM 555 CB GLU A 39 -10.716 -4.553 -2.562 1.00 0.00 C ATOM 556 CG GLU A 39 -12.083 -3.866 -2.558 1.00 0.00 C ATOM 557 CD GLU A 39 -13.208 -4.885 -2.371 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.132 -5.943 -3.033 1.00 0.00 O ATOM 559 OE2 GLU A 39 -14.120 -4.584 -1.570 1.00 0.00 O ATOM 0 H GLU A 39 -8.537 -3.368 -2.449 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.632 -3.727 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.120 -4.180 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.844 -5.624 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.120 -3.127 -1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.227 -3.328 -3.495 1.00 0.00 H new ATOM 566 N GLN A 40 -10.699 -6.383 -0.261 1.00 0.00 N ATOM 567 CA GLN A 40 -10.540 -7.665 0.405 1.00 0.00 C ATOM 568 C GLN A 40 -10.529 -8.799 -0.622 1.00 0.00 C ATOM 569 O GLN A 40 -10.685 -8.559 -1.818 1.00 0.00 O ATOM 570 CB GLN A 40 -11.637 -7.880 1.449 1.00 0.00 C ATOM 571 CG GLN A 40 -13.006 -7.479 0.896 1.00 0.00 C ATOM 572 CD GLN A 40 -14.132 -7.984 1.801 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.928 -8.778 2.705 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.328 -7.482 1.507 1.00 0.00 N ATOM 0 H GLN A 40 -11.663 -6.133 -0.480 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.583 -7.665 0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.656 -8.927 1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.415 -7.294 2.341 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.063 -6.394 0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.131 -7.886 -0.107 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.428 -6.821 0.737 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.145 -7.758 2.052 1.00 0.00 H new ATOM 583 N VAL A 41 -10.344 -10.010 -0.117 1.00 0.00 N ATOM 584 CA VAL A 41 -10.311 -11.182 -0.975 1.00 0.00 C ATOM 585 C VAL A 41 -10.981 -12.354 -0.256 1.00 0.00 C ATOM 586 O VAL A 41 -10.473 -12.841 0.752 1.00 0.00 O ATOM 587 CB VAL A 41 -8.871 -11.483 -1.395 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.724 -12.938 -1.845 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.407 -10.520 -2.490 1.00 0.00 C ATOM 0 H VAL A 41 -10.215 -10.205 0.876 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.871 -11.000 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.230 -11.335 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.691 -13.126 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.994 -13.602 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.382 -13.124 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.380 -10.755 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.054 -10.621 -3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.456 -9.496 -2.119 1.00 0.00 H new ATOM 599 N LYS A 42 -12.113 -12.773 -0.803 1.00 0.00 N ATOM 600 CA LYS A 42 -12.858 -13.879 -0.227 1.00 0.00 C ATOM 601 C LYS A 42 -12.725 -15.105 -1.132 1.00 0.00 C ATOM 602 O LYS A 42 -13.050 -15.045 -2.317 1.00 0.00 O ATOM 603 CB LYS A 42 -14.307 -13.467 0.041 1.00 0.00 C ATOM 604 CG LYS A 42 -14.400 -12.557 1.267 1.00 0.00 C ATOM 605 CD LYS A 42 -15.856 -12.197 1.574 1.00 0.00 C ATOM 606 CE LYS A 42 -16.276 -12.732 2.944 1.00 0.00 C ATOM 607 NZ LYS A 42 -17.689 -12.393 3.222 1.00 0.00 N ATOM 0 H LYS A 42 -12.532 -12.366 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.444 -14.153 0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.709 -12.951 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.919 -14.356 0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.955 -13.055 2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.826 -11.647 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.980 -11.114 1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.507 -12.610 0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.142 -13.813 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.635 -12.309 3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.958 -12.764 4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.806 -11.360 3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.298 -12.817 2.493 1.00 0.00 H new ATOM 621 N ALA A 43 -12.246 -16.190 -0.540 1.00 0.00 N ATOM 622 CA ALA A 43 -12.066 -17.428 -1.279 1.00 0.00 C ATOM 623 C ALA A 43 -13.337 -18.272 -1.168 1.00 0.00 C ATOM 624 O ALA A 43 -13.935 -18.363 -0.097 1.00 0.00 O ATOM 625 CB ALA A 43 -10.831 -18.162 -0.752 1.00 0.00 C ATOM 0 H ALA A 43 -11.977 -16.237 0.443 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.897 -17.223 -2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.696 -19.091 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.951 -17.532 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.965 -18.387 0.306 1.00 0.00 H new ATOM 677 N GLU A 47 -11.256 -23.011 -2.355 1.00 0.00 N ATOM 678 CA GLU A 47 -10.259 -21.985 -2.103 1.00 0.00 C ATOM 679 C GLU A 47 -10.269 -21.587 -0.625 1.00 0.00 C ATOM 680 O GLU A 47 -11.332 -21.381 -0.042 1.00 0.00 O ATOM 681 CB GLU A 47 -10.486 -20.767 -3.000 1.00 0.00 C ATOM 682 CG GLU A 47 -10.319 -21.134 -4.476 1.00 0.00 C ATOM 683 CD GLU A 47 -11.535 -20.692 -5.292 1.00 0.00 C ATOM 684 OE1 GLU A 47 -11.659 -19.467 -5.508 1.00 0.00 O ATOM 685 OE2 GLU A 47 -12.314 -21.589 -5.681 1.00 0.00 O ATOM 0 HA GLU A 47 -9.277 -22.393 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.486 -20.368 -2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.780 -19.979 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.420 -20.662 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.183 -22.211 -4.573 1.00 0.00 H new ATOM 692 N SER A 48 -9.073 -21.491 -0.063 1.00 0.00 N ATOM 693 CA SER A 48 -8.932 -21.121 1.335 1.00 0.00 C ATOM 694 C SER A 48 -9.169 -19.620 1.507 1.00 0.00 C ATOM 695 O SER A 48 -8.691 -18.817 0.707 1.00 0.00 O ATOM 696 CB SER A 48 -7.550 -21.504 1.869 1.00 0.00 C ATOM 697 OG SER A 48 -7.599 -22.663 2.697 1.00 0.00 O ATOM 0 H SER A 48 -8.193 -21.663 -0.550 1.00 0.00 H new ATOM 0 HA SER A 48 -9.679 -21.668 1.910 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.876 -21.685 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.137 -20.670 2.437 1.00 0.00 H new ATOM 0 HG SER A 48 -6.697 -22.875 3.016 1.00 0.00 H new ATOM 703 N GLU A 49 -9.909 -19.286 2.554 1.00 0.00 N ATOM 704 CA GLU A 49 -10.216 -17.895 2.840 1.00 0.00 C ATOM 705 C GLU A 49 -8.935 -17.125 3.169 1.00 0.00 C ATOM 706 O GLU A 49 -7.908 -17.726 3.480 1.00 0.00 O ATOM 707 CB GLU A 49 -11.232 -17.780 3.978 1.00 0.00 C ATOM 708 CG GLU A 49 -10.555 -17.965 5.338 1.00 0.00 C ATOM 709 CD GLU A 49 -11.488 -18.673 6.323 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.023 -19.734 5.936 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.645 -18.136 7.441 1.00 0.00 O ATOM 0 H GLU A 49 -10.305 -19.955 3.215 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.665 -17.452 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.718 -16.805 3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.012 -18.530 3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.640 -18.545 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.266 -16.994 5.739 1.00 0.00 H new ATOM 718 N VAL A 50 -9.038 -15.807 3.090 1.00 0.00 N ATOM 719 CA VAL A 50 -7.901 -14.949 3.376 1.00 0.00 C ATOM 720 C VAL A 50 -7.842 -14.671 4.879 1.00 0.00 C ATOM 721 O VAL A 50 -8.831 -14.248 5.475 1.00 0.00 O ATOM 722 CB VAL A 50 -7.983 -13.673 2.535 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.934 -12.653 2.982 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.841 -13.989 1.044 1.00 0.00 C ATOM 0 H VAL A 50 -9.892 -15.312 2.832 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.970 -15.445 3.100 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.967 -13.231 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.014 -11.756 2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.101 -12.394 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.938 -13.082 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.903 -13.065 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.877 -14.465 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.642 -14.662 0.737 1.00 0.00 H new ATOM 734 N THR A 51 -6.672 -14.919 5.449 1.00 0.00 N ATOM 735 CA THR A 51 -6.471 -14.701 6.871 1.00 0.00 C ATOM 736 C THR A 51 -5.743 -13.377 7.110 1.00 0.00 C ATOM 737 O THR A 51 -5.777 -12.836 8.214 1.00 0.00 O ATOM 738 CB THR A 51 -5.728 -15.914 7.435 1.00 0.00 C ATOM 739 OG1 THR A 51 -4.668 -16.133 6.508 1.00 0.00 O ATOM 740 CG2 THR A 51 -6.559 -17.196 7.362 1.00 0.00 C ATOM 0 H THR A 51 -5.853 -15.269 4.951 1.00 0.00 H new ATOM 0 HA THR A 51 -7.422 -14.612 7.396 1.00 0.00 H new ATOM 0 HB THR A 51 -5.451 -15.721 8.471 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.134 -16.902 6.798 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.985 -18.026 7.775 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.477 -17.068 7.936 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.808 -17.409 6.323 1.00 0.00 H new ATOM 748 N GLY A 52 -5.100 -12.894 6.057 1.00 0.00 N ATOM 749 CA GLY A 52 -4.365 -11.643 6.138 1.00 0.00 C ATOM 750 C GLY A 52 -3.843 -11.223 4.762 1.00 0.00 C ATOM 751 O GLY A 52 -4.390 -11.627 3.737 1.00 0.00 O ATOM 0 H GLY A 52 -5.073 -13.346 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.012 -10.863 6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.530 -11.752 6.830 1.00 0.00 H new ATOM 755 N TYR A 53 -2.791 -10.418 4.784 1.00 0.00 N ATOM 756 CA TYR A 53 -2.189 -9.940 3.551 1.00 0.00 C ATOM 757 C TYR A 53 -0.732 -9.532 3.775 1.00 0.00 C ATOM 758 O TYR A 53 -0.365 -9.098 4.866 1.00 0.00 O ATOM 759 CB TYR A 53 -2.995 -8.705 3.141 1.00 0.00 C ATOM 760 CG TYR A 53 -4.389 -9.024 2.598 1.00 0.00 C ATOM 761 CD1 TYR A 53 -5.438 -9.232 3.470 1.00 0.00 C ATOM 762 CD2 TYR A 53 -4.598 -9.104 1.236 1.00 0.00 C ATOM 763 CE1 TYR A 53 -6.751 -9.533 2.959 1.00 0.00 C ATOM 764 CE2 TYR A 53 -5.910 -9.405 0.725 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.922 -9.604 1.612 1.00 0.00 C ATOM 766 OH TYR A 53 -8.161 -9.888 1.129 1.00 0.00 O ATOM 0 H TYR A 53 -2.340 -10.085 5.636 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.201 -10.720 2.789 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.094 -8.046 4.003 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.438 -8.156 2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.275 -9.169 4.536 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.777 -8.941 0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.580 -9.698 3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.087 -9.471 -0.338 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.611 -10.515 1.732 1.00 0.00 H new ATOM 776 N LYS A 54 0.060 -9.685 2.724 1.00 0.00 N ATOM 777 CA LYS A 54 1.469 -9.338 2.791 1.00 0.00 C ATOM 778 C LYS A 54 1.734 -8.121 1.903 1.00 0.00 C ATOM 779 O LYS A 54 1.519 -8.173 0.693 1.00 0.00 O ATOM 780 CB LYS A 54 2.337 -10.550 2.448 1.00 0.00 C ATOM 781 CG LYS A 54 2.350 -11.559 3.598 1.00 0.00 C ATOM 782 CD LYS A 54 2.898 -12.911 3.136 1.00 0.00 C ATOM 783 CE LYS A 54 3.224 -13.808 4.331 1.00 0.00 C ATOM 784 NZ LYS A 54 4.181 -14.867 3.939 1.00 0.00 N ATOM 0 H LYS A 54 -0.248 -10.045 1.821 1.00 0.00 H new ATOM 0 HA LYS A 54 1.743 -9.056 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.959 -11.028 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.355 -10.224 2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.960 -11.176 4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.340 -11.686 3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.167 -13.404 2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.795 -12.758 2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.646 -13.209 5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.309 -14.260 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.391 -15.467 4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.765 -15.449 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.060 -14.431 3.595 1.00 0.00 H new ATOM 798 N VAL A 55 2.196 -7.054 2.538 1.00 0.00 N ATOM 799 CA VAL A 55 2.491 -5.825 1.820 1.00 0.00 C ATOM 800 C VAL A 55 3.954 -5.842 1.371 1.00 0.00 C ATOM 801 O VAL A 55 4.858 -5.639 2.181 1.00 0.00 O ATOM 802 CB VAL A 55 2.147 -4.615 2.690 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.340 -3.310 1.915 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.722 -4.722 3.238 1.00 0.00 C ATOM 0 H VAL A 55 2.373 -7.015 3.542 1.00 0.00 H new ATOM 0 HA VAL A 55 1.876 -5.749 0.924 1.00 0.00 H new ATOM 0 HB VAL A 55 2.832 -4.605 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.089 -2.465 2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.379 -3.227 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.690 -3.307 1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.502 -3.849 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.016 -4.769 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.632 -5.624 3.843 1.00 0.00 H new ATOM 814 N PHE A 56 4.142 -6.085 0.082 1.00 0.00 N ATOM 815 CA PHE A 56 5.479 -6.130 -0.484 1.00 0.00 C ATOM 816 C PHE A 56 5.924 -4.743 -0.950 1.00 0.00 C ATOM 817 O PHE A 56 5.530 -4.288 -2.023 1.00 0.00 O ATOM 818 CB PHE A 56 5.422 -7.067 -1.692 1.00 0.00 C ATOM 819 CG PHE A 56 5.354 -8.552 -1.326 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.244 -9.053 -0.721 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.405 -9.369 -1.605 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.182 -10.430 -0.382 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.342 -10.746 -1.265 1.00 0.00 C ATOM 824 CZ PHE A 56 5.232 -11.248 -0.661 1.00 0.00 C ATOM 0 H PHE A 56 3.390 -6.253 -0.587 1.00 0.00 H new ATOM 0 HA PHE A 56 6.189 -6.477 0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.551 -6.812 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.301 -6.896 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.410 -8.404 -0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.287 -8.971 -2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.300 -10.828 0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.176 -11.395 -1.486 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.184 -12.296 -0.403 1.00 0.00 H new ATOM 834 N TYR A 57 6.740 -4.109 -0.121 1.00 0.00 N ATOM 835 CA TYR A 57 7.244 -2.782 -0.435 1.00 0.00 C ATOM 836 C TYR A 57 8.737 -2.826 -0.764 1.00 0.00 C ATOM 837 O TYR A 57 9.510 -3.487 -0.071 1.00 0.00 O ATOM 838 CB TYR A 57 7.036 -1.943 0.827 1.00 0.00 C ATOM 839 CG TYR A 57 7.532 -2.613 2.109 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.694 -3.447 2.821 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.819 -2.384 2.554 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.162 -4.078 4.028 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.286 -3.015 3.761 1.00 0.00 C ATOM 844 CZ TYR A 57 8.435 -3.831 4.439 1.00 0.00 C ATOM 845 OH TYR A 57 8.877 -4.427 5.579 1.00 0.00 O ATOM 0 H TYR A 57 7.065 -4.489 0.768 1.00 0.00 H new ATOM 0 HA TYR A 57 6.726 -2.370 -1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.550 -0.989 0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.974 -1.722 0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.687 -3.626 2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.475 -1.732 1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.516 -4.733 4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.290 -2.844 4.120 1.00 0.00 H new ATOM 0 HH TYR A 57 9.804 -4.160 5.749 1.00 0.00 H new ATOM 855 N ARG A 58 9.100 -2.114 -1.820 1.00 0.00 N ATOM 856 CA ARG A 58 10.487 -2.063 -2.249 1.00 0.00 C ATOM 857 C ARG A 58 10.720 -0.848 -3.149 1.00 0.00 C ATOM 858 O ARG A 58 9.892 -0.536 -4.003 1.00 0.00 O ATOM 859 CB ARG A 58 10.876 -3.333 -3.008 1.00 0.00 C ATOM 860 CG ARG A 58 9.778 -3.742 -3.991 1.00 0.00 C ATOM 861 CD ARG A 58 10.376 -4.378 -5.248 1.00 0.00 C ATOM 862 NE ARG A 58 10.582 -3.346 -6.288 1.00 0.00 N ATOM 863 CZ ARG A 58 10.879 -3.616 -7.566 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.008 -4.888 -7.970 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.049 -2.616 -8.441 1.00 0.00 N ATOM 0 H ARG A 58 8.457 -1.567 -2.392 1.00 0.00 H new ATOM 0 HA ARG A 58 11.107 -1.983 -1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.809 -3.167 -3.547 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.056 -4.143 -2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.099 -4.446 -3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.188 -2.868 -4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.325 -4.858 -5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.712 -5.156 -5.623 1.00 0.00 H new ATOM 0 HE ARG A 58 10.492 -2.367 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.880 -5.650 -7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.234 -5.094 -8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.952 -1.648 -8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.275 -2.823 -9.414 1.00 0.00 H new ATOM 879 N THR A 59 11.852 -0.195 -2.927 1.00 0.00 N ATOM 880 CA THR A 59 12.204 0.979 -3.707 1.00 0.00 C ATOM 881 C THR A 59 12.317 0.619 -5.190 1.00 0.00 C ATOM 882 O THR A 59 12.277 -0.556 -5.552 1.00 0.00 O ATOM 883 CB THR A 59 13.492 1.564 -3.124 1.00 0.00 C ATOM 884 OG1 THR A 59 13.323 1.441 -1.715 1.00 0.00 O ATOM 885 CG2 THR A 59 13.606 3.073 -3.355 1.00 0.00 C ATOM 0 H THR A 59 12.537 -0.457 -2.218 1.00 0.00 H new ATOM 0 HA THR A 59 11.427 1.741 -3.648 1.00 0.00 H new ATOM 0 HB THR A 59 14.352 1.062 -3.568 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.114 1.795 -1.258 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.537 3.438 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.598 3.279 -4.425 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.764 3.578 -2.882 1.00 0.00 H new ATOM 893 N SER A 60 12.455 1.652 -6.008 1.00 0.00 N ATOM 894 CA SER A 60 12.574 1.460 -7.443 1.00 0.00 C ATOM 895 C SER A 60 13.869 0.712 -7.765 1.00 0.00 C ATOM 896 O SER A 60 14.039 0.207 -8.874 1.00 0.00 O ATOM 897 CB SER A 60 12.536 2.799 -8.183 1.00 0.00 C ATOM 898 OG SER A 60 13.325 2.776 -9.369 1.00 0.00 O ATOM 0 H SER A 60 12.487 2.625 -5.704 1.00 0.00 H new ATOM 0 HA SER A 60 11.725 0.865 -7.780 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.505 3.043 -8.438 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.896 3.588 -7.523 1.00 0.00 H new ATOM 0 HG SER A 60 13.273 3.648 -9.813 1.00 0.00 H new ATOM 960 N VAL A 65 12.737 -7.344 -1.856 1.00 0.00 N ATOM 961 CA VAL A 65 11.574 -6.685 -1.287 1.00 0.00 C ATOM 962 C VAL A 65 11.288 -7.270 0.097 1.00 0.00 C ATOM 963 O VAL A 65 11.700 -8.389 0.400 1.00 0.00 O ATOM 964 CB VAL A 65 10.386 -6.804 -2.244 1.00 0.00 C ATOM 965 CG1 VAL A 65 10.056 -8.270 -2.529 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.164 -6.064 -1.695 1.00 0.00 C ATOM 0 HA VAL A 65 11.764 -5.620 -1.156 1.00 0.00 H new ATOM 0 HB VAL A 65 10.667 -6.335 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.208 -8.326 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.920 -8.756 -2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.805 -8.774 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.334 -6.164 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.882 -6.491 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.405 -5.009 -1.567 1.00 0.00 H new ATOM 976 N GLN A 66 10.583 -6.487 0.901 1.00 0.00 N ATOM 977 CA GLN A 66 10.237 -6.914 2.246 1.00 0.00 C ATOM 978 C GLN A 66 8.744 -7.238 2.333 1.00 0.00 C ATOM 979 O GLN A 66 7.966 -6.831 1.471 1.00 0.00 O ATOM 980 CB GLN A 66 10.628 -5.852 3.276 1.00 0.00 C ATOM 981 CG GLN A 66 12.105 -5.975 3.657 1.00 0.00 C ATOM 982 CD GLN A 66 12.271 -6.093 5.173 1.00 0.00 C ATOM 983 OE1 GLN A 66 12.213 -7.168 5.749 1.00 0.00 O ATOM 984 NE2 GLN A 66 12.481 -4.932 5.787 1.00 0.00 N ATOM 0 H GLN A 66 10.242 -5.560 0.647 1.00 0.00 H new ATOM 0 HA GLN A 66 10.799 -7.819 2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.435 -4.859 2.871 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.009 -5.959 4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.538 -6.849 3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.652 -5.105 3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.518 -4.068 5.246 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.605 -4.905 6.799 1.00 0.00 H new ATOM 993 N VAL A 67 8.389 -7.967 3.380 1.00 0.00 N ATOM 994 CA VAL A 67 7.003 -8.350 3.591 1.00 0.00 C ATOM 995 C VAL A 67 6.526 -7.804 4.938 1.00 0.00 C ATOM 996 O VAL A 67 7.258 -7.855 5.926 1.00 0.00 O ATOM 997 CB VAL A 67 6.857 -9.869 3.475 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.538 -10.341 4.091 1.00 0.00 C ATOM 999 CG2 VAL A 67 6.975 -10.322 2.018 1.00 0.00 C ATOM 0 H VAL A 67 9.037 -8.303 4.092 1.00 0.00 H new ATOM 0 HA VAL A 67 6.365 -7.916 2.821 1.00 0.00 H new ATOM 0 HB VAL A 67 7.672 -10.328 4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.459 -11.424 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.510 -10.067 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.704 -9.869 3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.868 -11.405 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.191 -9.850 1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.950 -10.034 1.625 1.00 0.00 H new ATOM 1009 N LEU A 68 5.303 -7.296 4.935 1.00 0.00 N ATOM 1010 CA LEU A 68 4.720 -6.741 6.145 1.00 0.00 C ATOM 1011 C LEU A 68 3.433 -7.498 6.479 1.00 0.00 C ATOM 1012 O LEU A 68 2.572 -7.676 5.618 1.00 0.00 O ATOM 1013 CB LEU A 68 4.526 -5.230 6.002 1.00 0.00 C ATOM 1014 CG LEU A 68 3.300 -4.642 6.706 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.578 -3.218 7.191 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.066 -4.711 5.805 1.00 0.00 C ATOM 0 H LEU A 68 4.699 -7.257 4.114 1.00 0.00 H new ATOM 0 HA LEU A 68 5.396 -6.873 6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.416 -4.731 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.461 -4.991 4.941 1.00 0.00 H new ATOM 0 HG LEU A 68 3.088 -5.247 7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.692 -2.823 7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.412 -3.229 7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.829 -2.586 6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.209 -4.287 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.250 -4.145 4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.858 -5.751 5.551 1.00 0.00 H new ATOM 1028 N ASN A 69 3.342 -7.923 7.731 1.00 0.00 N ATOM 1029 CA ASN A 69 2.175 -8.657 8.189 1.00 0.00 C ATOM 1030 C ASN A 69 1.058 -7.668 8.531 1.00 0.00 C ATOM 1031 O ASN A 69 1.263 -6.742 9.314 1.00 0.00 O ATOM 1032 CB ASN A 69 2.492 -9.466 9.448 1.00 0.00 C ATOM 1033 CG ASN A 69 3.790 -10.258 9.278 1.00 0.00 C ATOM 1034 OD1 ASN A 69 4.853 -9.861 9.726 1.00 0.00 O ATOM 1035 ND2 ASN A 69 3.643 -11.398 8.609 1.00 0.00 N ATOM 0 H ASN A 69 4.058 -7.773 8.442 1.00 0.00 H new ATOM 0 HA ASN A 69 1.869 -9.335 7.392 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.580 -8.796 10.303 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.670 -10.149 9.662 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.450 -12.000 8.444 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.724 -11.670 8.261 1.00 0.00 H new ATOM 1042 N THR A 70 -0.098 -7.898 7.926 1.00 0.00 N ATOM 1043 CA THR A 70 -1.247 -7.039 8.157 1.00 0.00 C ATOM 1044 C THR A 70 -2.522 -7.876 8.282 1.00 0.00 C ATOM 1045 O THR A 70 -2.868 -8.626 7.371 1.00 0.00 O ATOM 1046 CB THR A 70 -1.304 -6.012 7.025 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.675 -5.628 6.972 1.00 0.00 O ATOM 1048 CG2 THR A 70 -1.038 -6.636 5.653 1.00 0.00 C ATOM 0 H THR A 70 -0.264 -8.667 7.276 1.00 0.00 H new ATOM 0 HA THR A 70 -1.155 -6.501 9.100 1.00 0.00 H new ATOM 0 HB THR A 70 -0.574 -5.225 7.213 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.765 -4.808 6.443 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.090 -5.864 4.886 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.046 -7.089 5.645 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.788 -7.401 5.450 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.185 -7.719 9.418 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.414 -8.451 9.675 1.00 0.00 C ATOM 1058 C ASN A 71 -5.607 -7.612 9.213 1.00 0.00 C ATOM 1059 O ASN A 71 -6.729 -7.817 9.674 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.585 -8.734 11.169 1.00 0.00 C ATOM 1061 CG ASN A 71 -3.495 -9.681 11.675 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -2.337 -9.323 11.809 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -3.930 -10.908 11.948 1.00 0.00 N ATOM 0 H ASN A 71 -2.895 -7.096 10.171 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.364 -9.395 9.133 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.547 -7.798 11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.566 -9.173 11.350 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.280 -11.615 12.292 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.914 -11.142 11.813 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.325 -6.686 8.309 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.361 -5.816 7.779 1.00 0.00 C ATOM 1072 C LYS A 72 -6.203 -5.706 6.262 1.00 0.00 C ATOM 1073 O LYS A 72 -5.381 -6.403 5.668 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.345 -4.465 8.499 1.00 0.00 C ATOM 1075 CG LYS A 72 -5.006 -3.753 8.298 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.187 -3.751 9.590 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.064 -2.714 9.526 1.00 0.00 C ATOM 1078 NZ LYS A 72 -3.282 -1.651 10.532 1.00 0.00 N ATOM 0 H LYS A 72 -4.393 -6.519 7.930 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.347 -6.240 7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.154 -3.839 8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.526 -4.614 9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.442 -4.247 7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.181 -2.728 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.838 -3.535 10.437 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.763 -4.741 9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.103 -3.198 9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.022 -2.276 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.511 -0.956 10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.189 -1.178 10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.299 -2.071 11.483 1.00 0.00 H new ATOM 1092 N THR A 73 -7.003 -4.826 5.678 1.00 0.00 N ATOM 1093 CA THR A 73 -6.962 -4.616 4.240 1.00 0.00 C ATOM 1094 C THR A 73 -6.139 -3.371 3.906 1.00 0.00 C ATOM 1095 O THR A 73 -6.103 -2.936 2.756 1.00 0.00 O ATOM 1096 CB THR A 73 -8.403 -4.547 3.731 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.128 -3.980 4.819 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.027 -5.932 3.550 1.00 0.00 C ATOM 0 H THR A 73 -7.683 -4.250 6.174 1.00 0.00 H new ATOM 0 HA THR A 73 -6.463 -5.442 3.734 1.00 0.00 H new ATOM 0 HB THR A 73 -8.428 -4.011 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.073 -3.897 4.574 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.049 -5.826 3.187 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.443 -6.503 2.828 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.034 -6.456 4.506 1.00 0.00 H new ATOM 1106 N SER A 74 -5.498 -2.831 4.933 1.00 0.00 N ATOM 1107 CA SER A 74 -4.678 -1.644 4.763 1.00 0.00 C ATOM 1108 C SER A 74 -3.280 -1.887 5.335 1.00 0.00 C ATOM 1109 O SER A 74 -2.955 -3.004 5.734 1.00 0.00 O ATOM 1110 CB SER A 74 -5.322 -0.429 5.434 1.00 0.00 C ATOM 1111 OG SER A 74 -5.651 -0.683 6.797 1.00 0.00 O ATOM 0 H SER A 74 -5.530 -3.194 5.886 1.00 0.00 H new ATOM 0 HA SER A 74 -4.596 -1.435 3.696 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.640 0.420 5.378 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.224 -0.150 4.889 1.00 0.00 H new ATOM 0 HG SER A 74 -6.058 0.117 7.190 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.491 -0.823 5.358 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.136 -0.907 5.874 1.00 0.00 C ATOM 1119 C ALA A 75 -0.543 0.501 5.970 1.00 0.00 C ATOM 1120 O ALA A 75 -1.151 1.467 5.511 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.305 -1.830 4.981 1.00 0.00 C ATOM 0 H ALA A 75 -2.765 0.102 5.027 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.133 -1.335 6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.712 -1.893 5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.751 -2.824 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.283 -1.432 3.967 1.00 0.00 H new ATOM 1127 N GLU A 76 0.636 0.572 6.569 1.00 0.00 N ATOM 1128 CA GLU A 76 1.318 1.845 6.730 1.00 0.00 C ATOM 1129 C GLU A 76 2.831 1.657 6.603 1.00 0.00 C ATOM 1130 O GLU A 76 3.445 0.968 7.416 1.00 0.00 O ATOM 1131 CB GLU A 76 0.957 2.495 8.068 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.496 2.973 8.071 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.005 3.170 9.500 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.865 2.212 10.290 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.523 4.275 9.770 1.00 0.00 O ATOM 0 H GLU A 76 1.137 -0.231 6.949 1.00 0.00 H new ATOM 0 HA GLU A 76 0.987 2.515 5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.110 1.780 8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.621 3.338 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.575 3.910 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.123 2.246 7.555 1.00 0.00 H new ATOM 1142 N LEU A 77 3.389 2.281 5.576 1.00 0.00 N ATOM 1143 CA LEU A 77 4.818 2.191 5.331 1.00 0.00 C ATOM 1144 C LEU A 77 5.470 3.540 5.643 1.00 0.00 C ATOM 1145 O LEU A 77 4.795 4.477 6.067 1.00 0.00 O ATOM 1146 CB LEU A 77 5.088 1.692 3.911 1.00 0.00 C ATOM 1147 CG LEU A 77 4.519 0.314 3.565 1.00 0.00 C ATOM 1148 CD1 LEU A 77 5.175 -0.778 4.411 1.00 0.00 C ATOM 1149 CD2 LEU A 77 2.995 0.302 3.695 1.00 0.00 C ATOM 0 H LEU A 77 2.876 2.851 4.903 1.00 0.00 H new ATOM 0 HA LEU A 77 5.273 1.455 5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.680 2.419 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.166 1.668 3.755 1.00 0.00 H new ATOM 0 HG LEU A 77 4.755 0.099 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.753 -1.747 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.249 -0.787 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.992 -0.580 5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.616 -0.689 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.715 0.548 4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.566 1.038 3.015 1.00 0.00 H new ATOM 1161 N VAL A 78 6.776 3.595 5.422 1.00 0.00 N ATOM 1162 CA VAL A 78 7.526 4.813 5.674 1.00 0.00 C ATOM 1163 C VAL A 78 7.588 5.644 4.391 1.00 0.00 C ATOM 1164 O VAL A 78 7.349 5.127 3.301 1.00 0.00 O ATOM 1165 CB VAL A 78 8.910 4.469 6.231 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.812 3.982 7.678 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.614 3.435 5.350 1.00 0.00 C ATOM 0 H VAL A 78 7.333 2.816 5.071 1.00 0.00 H new ATOM 0 HA VAL A 78 7.027 5.419 6.430 1.00 0.00 H new ATOM 0 HB VAL A 78 9.510 5.379 6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.809 3.744 8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.371 4.764 8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.187 3.090 7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.595 3.208 5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.017 2.524 5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.732 3.835 4.343 1.00 0.00 H new ATOM 1177 N LEU A 79 7.910 6.918 4.564 1.00 0.00 N ATOM 1178 CA LEU A 79 8.006 7.825 3.433 1.00 0.00 C ATOM 1179 C LEU A 79 9.270 7.504 2.633 1.00 0.00 C ATOM 1180 O LEU A 79 10.339 7.305 3.207 1.00 0.00 O ATOM 1181 CB LEU A 79 7.930 9.279 3.905 1.00 0.00 C ATOM 1182 CG LEU A 79 8.673 9.602 5.203 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.062 8.961 5.214 1.00 0.00 C ATOM 1184 CD2 LEU A 79 8.738 11.113 5.435 1.00 0.00 C ATOM 0 H LEU A 79 8.108 7.343 5.470 1.00 0.00 H new ATOM 0 HA LEU A 79 7.159 7.687 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.325 9.918 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.881 9.544 4.035 1.00 0.00 H new ATOM 0 HG LEU A 79 8.113 9.172 6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.569 9.206 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.964 7.879 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.645 9.341 4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.271 11.316 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.262 11.586 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.727 11.515 5.502 1.00 0.00 H new ATOM 1196 N PRO A 80 9.101 7.461 1.284 1.00 0.00 N ATOM 1197 CA PRO A 80 10.215 7.167 0.399 1.00 0.00 C ATOM 1198 C PRO A 80 11.151 8.371 0.278 1.00 0.00 C ATOM 1199 O PRO A 80 10.708 9.479 -0.019 1.00 0.00 O ATOM 1200 CB PRO A 80 9.574 6.778 -0.924 1.00 0.00 C ATOM 1201 CG PRO A 80 8.153 7.313 -0.872 1.00 0.00 C ATOM 1202 CD PRO A 80 7.849 7.691 0.569 1.00 0.00 C ATOM 0 HA PRO A 80 10.848 6.362 0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.122 7.205 -1.764 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.579 5.696 -1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.047 8.180 -1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.449 6.560 -1.226 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.533 8.731 0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.042 7.082 0.977 1.00 0.00 H new ATOM 1210 N ILE A 81 12.429 8.112 0.514 1.00 0.00 N ATOM 1211 CA ILE A 81 13.432 9.161 0.436 1.00 0.00 C ATOM 1212 C ILE A 81 13.787 9.412 -1.031 1.00 0.00 C ATOM 1213 O ILE A 81 13.621 10.524 -1.532 1.00 0.00 O ATOM 1214 CB ILE A 81 14.639 8.814 1.310 1.00 0.00 C ATOM 1215 CG1 ILE A 81 14.205 8.483 2.739 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.683 9.932 1.272 1.00 0.00 C ATOM 1217 CD1 ILE A 81 13.863 6.999 2.878 1.00 0.00 C ATOM 0 H ILE A 81 12.793 7.191 0.759 1.00 0.00 H new ATOM 0 HA ILE A 81 13.038 10.096 0.834 1.00 0.00 H new ATOM 0 HB ILE A 81 15.110 7.920 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 81 15.003 8.743 3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.338 9.086 3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.530 9.660 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.024 10.077 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.239 10.857 1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 81 13.558 6.790 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 81 13.048 6.748 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 81 14.739 6.399 2.631 1.00 0.00 H new ATOM 1229 N LYS A 82 14.268 8.362 -1.679 1.00 0.00 N ATOM 1230 CA LYS A 82 14.648 8.455 -3.078 1.00 0.00 C ATOM 1231 C LYS A 82 14.118 7.231 -3.829 1.00 0.00 C ATOM 1232 O LYS A 82 13.748 6.233 -3.212 1.00 0.00 O ATOM 1233 CB LYS A 82 16.159 8.651 -3.212 1.00 0.00 C ATOM 1234 CG LYS A 82 16.514 10.137 -3.294 1.00 0.00 C ATOM 1235 CD LYS A 82 17.622 10.492 -2.300 1.00 0.00 C ATOM 1236 CE LYS A 82 18.156 11.903 -2.556 1.00 0.00 C ATOM 1237 NZ LYS A 82 19.631 11.885 -2.677 1.00 0.00 N ATOM 0 H LYS A 82 14.403 7.442 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 82 14.194 9.333 -3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.665 8.199 -2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.518 8.138 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.836 10.382 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.629 10.738 -3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.238 10.424 -1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.435 9.771 -2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.715 12.305 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.860 12.564 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.977 12.850 -2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.047 11.521 -1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.907 11.271 -3.470 1.00 0.00 H new ATOM 1251 N GLU A 83 14.098 7.349 -5.148 1.00 0.00 N ATOM 1252 CA GLU A 83 13.619 6.264 -5.989 1.00 0.00 C ATOM 1253 C GLU A 83 12.153 5.959 -5.678 1.00 0.00 C ATOM 1254 O GLU A 83 11.732 6.028 -4.524 1.00 0.00 O ATOM 1255 CB GLU A 83 14.487 5.016 -5.820 1.00 0.00 C ATOM 1256 CG GLU A 83 15.562 4.944 -6.907 1.00 0.00 C ATOM 1257 CD GLU A 83 16.940 4.676 -6.298 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.041 3.693 -5.533 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.861 5.460 -6.612 1.00 0.00 O ATOM 0 H GLU A 83 14.405 8.179 -5.656 1.00 0.00 H new ATOM 0 HA GLU A 83 13.691 6.578 -7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.959 5.027 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.861 4.125 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.314 4.155 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.583 5.880 -7.465 1.00 0.00 H new ATOM 1266 N ASP A 84 11.415 5.628 -6.727 1.00 0.00 N ATOM 1267 CA ASP A 84 10.004 5.312 -6.581 1.00 0.00 C ATOM 1268 C ASP A 84 9.849 4.125 -5.628 1.00 0.00 C ATOM 1269 O ASP A 84 10.809 3.400 -5.372 1.00 0.00 O ATOM 1270 CB ASP A 84 9.384 4.924 -7.925 1.00 0.00 C ATOM 1271 CG ASP A 84 8.642 6.053 -8.643 1.00 0.00 C ATOM 1272 OD1 ASP A 84 7.551 6.416 -8.154 1.00 0.00 O ATOM 1273 OD2 ASP A 84 9.182 6.526 -9.666 1.00 0.00 O ATOM 0 H ASP A 84 11.768 5.572 -7.682 1.00 0.00 H new ATOM 0 HA ASP A 84 9.498 6.196 -6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.173 4.554 -8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.691 4.098 -7.764 1.00 0.00 H new ATOM 1278 N TYR A 85 8.632 3.962 -5.130 1.00 0.00 N ATOM 1279 CA TYR A 85 8.338 2.876 -4.212 1.00 0.00 C ATOM 1280 C TYR A 85 7.351 1.885 -4.832 1.00 0.00 C ATOM 1281 O TYR A 85 6.239 2.260 -5.203 1.00 0.00 O ATOM 1282 CB TYR A 85 7.690 3.523 -2.986 1.00 0.00 C ATOM 1283 CG TYR A 85 7.968 2.787 -1.674 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.227 2.282 -1.419 1.00 0.00 C ATOM 1285 CD2 TYR A 85 6.960 2.629 -0.744 1.00 0.00 C ATOM 1286 CE1 TYR A 85 9.488 1.590 -0.184 1.00 0.00 C ATOM 1287 CE2 TYR A 85 7.222 1.937 0.491 1.00 0.00 C ATOM 1288 CZ TYR A 85 8.473 1.451 0.710 1.00 0.00 C ATOM 1289 OH TYR A 85 8.720 0.798 1.877 1.00 0.00 O ATOM 0 H TYR A 85 7.838 4.565 -5.345 1.00 0.00 H new ATOM 0 HA TYR A 85 9.247 2.327 -3.964 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.047 4.549 -2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.612 3.573 -3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.016 2.406 -2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.975 3.025 -0.943 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.469 1.190 0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.442 1.807 1.227 1.00 0.00 H new ATOM 0 HH TYR A 85 7.903 0.775 2.418 1.00 0.00 H new ATOM 1299 N ILE A 86 7.792 0.639 -4.927 1.00 0.00 N ATOM 1300 CA ILE A 86 6.962 -0.408 -5.496 1.00 0.00 C ATOM 1301 C ILE A 86 6.311 -1.208 -4.366 1.00 0.00 C ATOM 1302 O ILE A 86 6.998 -1.889 -3.607 1.00 0.00 O ATOM 1303 CB ILE A 86 7.773 -1.266 -6.469 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.121 -0.481 -7.735 1.00 0.00 C ATOM 1305 CG2 ILE A 86 7.044 -2.573 -6.787 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.776 0.858 -7.387 1.00 0.00 C ATOM 0 H ILE A 86 8.714 0.331 -4.619 1.00 0.00 H new ATOM 0 HA ILE A 86 6.155 0.025 -6.086 1.00 0.00 H new ATOM 0 HB ILE A 86 8.714 -1.531 -5.987 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.795 -1.069 -8.358 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.217 -0.307 -8.319 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.642 -3.164 -7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.892 -3.138 -5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.078 -2.350 -7.240 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.013 1.396 -8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.090 1.453 -6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.692 0.679 -6.824 1.00 0.00 H new ATOM 1318 N ILE A 87 4.992 -1.099 -4.290 1.00 0.00 N ATOM 1319 CA ILE A 87 4.241 -1.803 -3.266 1.00 0.00 C ATOM 1320 C ILE A 87 3.390 -2.893 -3.921 1.00 0.00 C ATOM 1321 O ILE A 87 2.739 -2.650 -4.936 1.00 0.00 O ATOM 1322 CB ILE A 87 3.432 -0.817 -2.421 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.192 0.498 -2.236 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.033 -1.441 -1.082 1.00 0.00 C ATOM 1325 CD1 ILE A 87 3.798 1.180 -0.924 1.00 0.00 C ATOM 0 H ILE A 87 4.425 -0.533 -4.922 1.00 0.00 H new ATOM 0 HA ILE A 87 4.919 -2.301 -2.572 1.00 0.00 H new ATOM 0 HB ILE A 87 2.511 -0.585 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.265 0.306 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.983 1.164 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.459 -0.719 -0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.426 -2.328 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.930 -1.721 -0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.353 2.112 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.729 1.393 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.031 0.521 -0.087 1.00 0.00 H new ATOM 1337 N GLU A 88 3.424 -4.070 -3.315 1.00 0.00 N ATOM 1338 CA GLU A 88 2.664 -5.198 -3.827 1.00 0.00 C ATOM 1339 C GLU A 88 1.898 -5.882 -2.693 1.00 0.00 C ATOM 1340 O GLU A 88 2.496 -6.323 -1.713 1.00 0.00 O ATOM 1341 CB GLU A 88 3.576 -6.191 -4.549 1.00 0.00 C ATOM 1342 CG GLU A 88 3.645 -5.884 -6.047 1.00 0.00 C ATOM 1343 CD GLU A 88 3.375 -7.140 -6.877 1.00 0.00 C ATOM 1344 OE1 GLU A 88 4.020 -8.169 -6.577 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.531 -7.044 -7.794 1.00 0.00 O ATOM 0 H GLU A 88 3.966 -4.268 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 88 1.942 -4.824 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.577 -6.150 -4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.206 -7.205 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.915 -5.114 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.628 -5.484 -6.295 1.00 0.00 H new ATOM 1352 N VAL A 89 0.586 -5.947 -2.863 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.268 -6.569 -1.865 1.00 0.00 C ATOM 1354 C VAL A 89 -0.673 -7.964 -2.346 1.00 0.00 C ATOM 1355 O VAL A 89 -0.788 -8.202 -3.547 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.468 -5.668 -1.568 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.454 -6.361 -0.625 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.015 -4.323 -0.995 1.00 0.00 C ATOM 0 H VAL A 89 0.093 -5.579 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 89 0.270 -6.692 -0.925 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.983 -5.475 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.298 -5.699 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.814 -7.281 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.954 -6.598 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.887 -3.701 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.465 -4.489 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.370 -3.820 -1.715 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.879 -8.850 -1.382 1.00 0.00 N ATOM 1369 CA LYS A 90 -1.269 -10.215 -1.692 1.00 0.00 C ATOM 1370 C LYS A 90 -1.865 -10.867 -0.442 1.00 0.00 C ATOM 1371 O LYS A 90 -1.270 -10.814 0.633 1.00 0.00 O ATOM 1372 CB LYS A 90 -0.089 -10.988 -2.285 1.00 0.00 C ATOM 1373 CG LYS A 90 1.137 -10.900 -1.375 1.00 0.00 C ATOM 1374 CD LYS A 90 1.695 -12.291 -1.070 1.00 0.00 C ATOM 1375 CE LYS A 90 2.854 -12.635 -2.007 1.00 0.00 C ATOM 1376 NZ LYS A 90 3.679 -13.723 -1.435 1.00 0.00 N ATOM 0 H LYS A 90 -0.783 -8.649 -0.387 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.044 -10.225 -2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.368 -12.032 -2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.155 -10.588 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.906 -10.293 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.868 -10.400 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.035 -12.331 -0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.905 -13.035 -1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.465 -12.938 -2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.471 -11.751 -2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.665 -13.403 -1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.314 -13.978 -0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.639 -14.554 -2.059 1.00 0.00 H new ATOM 1390 N ALA A 91 -3.032 -11.467 -0.626 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.715 -12.128 0.473 1.00 0.00 C ATOM 1392 C ALA A 91 -2.920 -13.367 0.890 1.00 0.00 C ATOM 1393 O ALA A 91 -2.176 -13.930 0.089 1.00 0.00 O ATOM 1394 CB ALA A 91 -5.147 -12.467 0.055 1.00 0.00 C ATOM 0 H ALA A 91 -3.522 -11.509 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.776 -11.469 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.659 -12.963 0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.677 -11.550 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.126 -13.130 -0.810 1.00 0.00 H new ATOM 1400 N THR A 92 -3.104 -13.755 2.144 1.00 0.00 N ATOM 1401 CA THR A 92 -2.414 -14.917 2.677 1.00 0.00 C ATOM 1402 C THR A 92 -3.415 -15.898 3.290 1.00 0.00 C ATOM 1403 O THR A 92 -4.430 -15.486 3.850 1.00 0.00 O ATOM 1404 CB THR A 92 -1.359 -14.425 3.670 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.112 -14.060 4.824 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.700 -13.118 3.226 1.00 0.00 C ATOM 0 H THR A 92 -3.721 -13.285 2.806 1.00 0.00 H new ATOM 0 HA THR A 92 -1.906 -15.472 1.888 1.00 0.00 H new ATOM 0 HB THR A 92 -0.594 -15.192 3.796 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.505 -13.731 5.520 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.040 -12.814 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.211 -13.266 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.459 -12.341 3.132 1.00 0.00 H new ATOM 1414 N THR A 93 -3.095 -17.177 3.163 1.00 0.00 N ATOM 1415 CA THR A 93 -3.954 -18.220 3.697 1.00 0.00 C ATOM 1416 C THR A 93 -3.127 -19.248 4.472 1.00 0.00 C ATOM 1417 O THR A 93 -1.900 -19.165 4.504 1.00 0.00 O ATOM 1418 CB THR A 93 -4.741 -18.826 2.533 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.744 -19.133 1.562 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.638 -17.802 1.836 1.00 0.00 C ATOM 0 H THR A 93 -2.252 -17.515 2.698 1.00 0.00 H new ATOM 0 HA THR A 93 -4.667 -17.816 4.415 1.00 0.00 H new ATOM 0 HB THR A 93 -5.351 -19.652 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.949 -19.995 1.144 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.174 -18.284 1.018 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.355 -17.399 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.026 -16.991 1.441 1.00 0.00 H new ATOM 1428 N ASP A 94 -3.831 -20.192 5.077 1.00 0.00 N ATOM 1429 CA ASP A 94 -3.177 -21.235 5.849 1.00 0.00 C ATOM 1430 C ASP A 94 -2.401 -22.153 4.904 1.00 0.00 C ATOM 1431 O ASP A 94 -1.611 -22.985 5.349 1.00 0.00 O ATOM 1432 CB ASP A 94 -4.201 -22.087 6.602 1.00 0.00 C ATOM 1433 CG ASP A 94 -3.994 -22.160 8.116 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -3.018 -22.825 8.524 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -4.817 -21.548 8.831 1.00 0.00 O ATOM 0 H ASP A 94 -4.849 -20.257 5.049 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.510 -20.756 6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.197 -21.689 6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.176 -23.099 6.198 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.653 -21.972 3.616 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.987 -22.775 2.603 1.00 0.00 C ATOM 1442 C GLY A 95 -0.688 -22.110 2.143 1.00 0.00 C ATOM 1443 O GLY A 95 0.307 -22.789 1.895 1.00 0.00 O ATOM 0 H GLY A 95 -3.309 -21.282 3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.771 -23.766 3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.651 -22.914 1.750 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.740 -20.790 2.043 1.00 0.00 N ATOM 1448 CA GLY A 96 0.420 -20.025 1.617 1.00 0.00 C ATOM 1449 C GLY A 96 0.023 -18.602 1.221 1.00 0.00 C ATOM 1450 O GLY A 96 -0.931 -18.046 1.763 1.00 0.00 O ATOM 0 H GLY A 96 -1.567 -20.230 2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.153 -19.991 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.897 -20.522 0.772 1.00 0.00 H new ATOM 1454 N ASP A 97 0.777 -18.052 0.280 1.00 0.00 N ATOM 1455 CA ASP A 97 0.516 -16.703 -0.194 1.00 0.00 C ATOM 1456 C ASP A 97 -0.507 -16.756 -1.331 1.00 0.00 C ATOM 1457 O ASP A 97 -0.912 -17.837 -1.757 1.00 0.00 O ATOM 1458 CB ASP A 97 1.791 -16.054 -0.735 1.00 0.00 C ATOM 1459 CG ASP A 97 2.621 -16.937 -1.669 1.00 0.00 C ATOM 1460 OD1 ASP A 97 1.998 -17.588 -2.536 1.00 0.00 O ATOM 1461 OD2 ASP A 97 3.858 -16.941 -1.496 1.00 0.00 O ATOM 0 H ASP A 97 1.568 -18.516 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 97 0.141 -16.117 0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.519 -15.143 -1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.415 -15.756 0.108 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.895 -15.575 -1.790 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.863 -15.473 -2.869 1.00 0.00 C ATOM 1468 C GLY A 98 -1.254 -14.777 -4.088 1.00 0.00 C ATOM 1469 O GLY A 98 -0.109 -15.043 -4.452 1.00 0.00 O ATOM 0 H GLY A 98 -0.557 -14.681 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.207 -16.469 -3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.737 -14.918 -2.527 1.00 0.00 H new ATOM 1473 N THR A 99 -2.046 -13.899 -4.685 1.00 0.00 N ATOM 1474 CA THR A 99 -1.599 -13.163 -5.855 1.00 0.00 C ATOM 1475 C THR A 99 -1.137 -11.759 -5.458 1.00 0.00 C ATOM 1476 O THR A 99 -1.585 -11.217 -4.449 1.00 0.00 O ATOM 1477 CB THR A 99 -2.738 -13.161 -6.876 1.00 0.00 C ATOM 1478 OG1 THR A 99 -3.260 -14.486 -6.817 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.236 -13.023 -8.315 1.00 0.00 C ATOM 0 H THR A 99 -2.995 -13.681 -4.380 1.00 0.00 H new ATOM 0 HA THR A 99 -0.732 -13.639 -6.314 1.00 0.00 H new ATOM 0 HB THR A 99 -3.424 -12.344 -6.651 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.005 -14.572 -7.448 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.085 -13.027 -8.999 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.689 -12.086 -8.421 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.576 -13.857 -8.552 1.00 0.00 H new ATOM 1487 N SER A 100 -0.247 -11.211 -6.272 1.00 0.00 N ATOM 1488 CA SER A 100 0.280 -9.881 -6.018 1.00 0.00 C ATOM 1489 C SER A 100 -0.427 -8.859 -6.910 1.00 0.00 C ATOM 1490 O SER A 100 -0.233 -8.850 -8.125 1.00 0.00 O ATOM 1491 CB SER A 100 1.792 -9.834 -6.253 1.00 0.00 C ATOM 1492 OG SER A 100 2.113 -9.623 -7.625 1.00 0.00 O ATOM 0 H SER A 100 0.123 -11.664 -7.108 1.00 0.00 H new ATOM 0 HA SER A 100 0.093 -9.633 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.228 -9.036 -5.652 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.241 -10.768 -5.915 1.00 0.00 H new ATOM 0 HG SER A 100 1.294 -9.659 -8.162 1.00 0.00 H new ATOM 1498 N SER A 101 -1.233 -8.023 -6.272 1.00 0.00 N ATOM 1499 CA SER A 101 -1.970 -6.998 -6.992 1.00 0.00 C ATOM 1500 C SER A 101 -1.000 -6.096 -7.758 1.00 0.00 C ATOM 1501 O SER A 101 0.212 -6.182 -7.571 1.00 0.00 O ATOM 1502 CB SER A 101 -2.830 -6.166 -6.039 1.00 0.00 C ATOM 1503 OG SER A 101 -2.037 -5.401 -5.135 1.00 0.00 O ATOM 0 H SER A 101 -1.392 -8.034 -5.265 1.00 0.00 H new ATOM 0 HA SER A 101 -2.635 -7.490 -7.702 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.468 -5.497 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.488 -6.826 -5.474 1.00 0.00 H new ATOM 0 HG SER A 101 -1.816 -4.538 -5.543 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.571 -5.251 -8.605 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.772 -4.334 -9.399 1.00 0.00 C ATOM 1511 C GLU A 102 0.157 -3.520 -8.496 1.00 0.00 C ATOM 1512 O GLU A 102 -0.303 -2.827 -7.590 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.663 -3.417 -10.239 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.820 -3.957 -11.662 1.00 0.00 C ATOM 1515 CD GLU A 102 -1.944 -2.814 -12.671 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -0.919 -2.132 -12.885 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -3.062 -2.648 -13.206 1.00 0.00 O ATOM 0 H GLU A 102 -2.577 -5.183 -8.758 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.159 -4.918 -10.085 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.643 -3.327 -9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.232 -2.416 -10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.962 -4.579 -11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.703 -4.594 -11.718 1.00 0.00 H new ATOM 1524 N GLN A 103 1.447 -3.631 -8.776 1.00 0.00 N ATOM 1525 CA GLN A 103 2.445 -2.913 -8.000 1.00 0.00 C ATOM 1526 C GLN A 103 2.145 -1.413 -8.007 1.00 0.00 C ATOM 1527 O GLN A 103 1.754 -0.859 -9.034 1.00 0.00 O ATOM 1528 CB GLN A 103 3.854 -3.193 -8.526 1.00 0.00 C ATOM 1529 CG GLN A 103 4.358 -2.033 -9.386 1.00 0.00 C ATOM 1530 CD GLN A 103 5.764 -2.317 -9.920 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.299 -3.406 -9.786 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.330 -1.281 -10.532 1.00 0.00 N ATOM 0 H GLN A 103 1.824 -4.207 -9.529 1.00 0.00 H new ATOM 0 HA GLN A 103 2.400 -3.267 -6.970 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.534 -3.352 -7.689 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.851 -4.111 -9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.675 -1.870 -10.219 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.367 -1.116 -8.797 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.827 -0.397 -10.610 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.267 -1.370 -10.924 1.00 0.00 H new ATOM 1541 N ILE A 104 2.339 -0.797 -6.850 1.00 0.00 N ATOM 1542 CA ILE A 104 2.094 0.628 -6.710 1.00 0.00 C ATOM 1543 C ILE A 104 3.358 1.399 -7.096 1.00 0.00 C ATOM 1544 O ILE A 104 4.450 0.833 -7.121 1.00 0.00 O ATOM 1545 CB ILE A 104 1.583 0.948 -5.304 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.572 -0.100 -4.836 1.00 0.00 C ATOM 1547 CG2 ILE A 104 1.011 2.366 -5.238 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.414 0.499 -3.830 1.00 0.00 C ATOM 0 H ILE A 104 2.663 -1.259 -6.001 1.00 0.00 H new ATOM 0 HA ILE A 104 1.305 0.948 -7.391 1.00 0.00 H new ATOM 0 HB ILE A 104 2.428 0.909 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.027 -0.493 -5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.097 -0.939 -4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.655 2.568 -4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.788 3.084 -5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.182 2.457 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.122 -0.267 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.132 0.870 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.955 1.322 -4.297 1.00 0.00 H new ATOM 1560 N ARG A 105 3.168 2.677 -7.386 1.00 0.00 N ATOM 1561 CA ARG A 105 4.279 3.531 -7.770 1.00 0.00 C ATOM 1562 C ARG A 105 4.213 4.859 -7.014 1.00 0.00 C ATOM 1563 O ARG A 105 3.492 5.771 -7.416 1.00 0.00 O ATOM 1564 CB ARG A 105 4.268 3.807 -9.274 1.00 0.00 C ATOM 1565 CG ARG A 105 5.693 3.926 -9.820 1.00 0.00 C ATOM 1566 CD ARG A 105 5.742 3.570 -11.307 1.00 0.00 C ATOM 1567 NE ARG A 105 4.538 4.092 -11.993 1.00 0.00 N ATOM 1568 CZ ARG A 105 4.330 4.007 -13.314 1.00 0.00 C ATOM 1569 NH1 ARG A 105 5.243 3.419 -14.100 1.00 0.00 N ATOM 1570 NH2 ARG A 105 3.208 4.508 -13.849 1.00 0.00 N ATOM 0 H ARG A 105 2.261 3.142 -7.363 1.00 0.00 H new ATOM 0 HA ARG A 105 5.201 3.009 -7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.743 3.004 -9.791 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.720 4.728 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.059 4.942 -9.674 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.356 3.265 -9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.640 3.990 -11.760 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.800 2.488 -11.429 1.00 0.00 H new ATOM 0 HE ARG A 105 3.822 4.545 -11.424 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.096 3.036 -13.692 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.085 3.354 -15.106 1.00 0.00 H new ATOM 0 HH21 ARG A 105 2.513 4.954 -13.251 1.00 0.00 H new ATOM 0 HH22 ARG A 105 3.049 4.443 -14.855 1.00 0.00 H new ATOM 1584 N ILE A 106 4.975 4.927 -5.932 1.00 0.00 N ATOM 1585 CA ILE A 106 5.012 6.128 -5.116 1.00 0.00 C ATOM 1586 C ILE A 106 6.369 6.813 -5.286 1.00 0.00 C ATOM 1587 O ILE A 106 7.357 6.401 -4.679 1.00 0.00 O ATOM 1588 CB ILE A 106 4.667 5.800 -3.662 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.396 4.952 -3.579 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.562 7.074 -2.822 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.484 3.943 -2.432 1.00 0.00 C ATOM 0 H ILE A 106 5.572 4.169 -5.602 1.00 0.00 H new ATOM 0 HA ILE A 106 4.253 6.836 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 106 5.479 5.206 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.531 5.600 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.244 4.425 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.316 6.812 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.514 7.604 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.781 7.715 -3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.568 3.353 -2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.335 3.282 -2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.611 4.474 -1.489 1.00 0.00 H new ATOM 1603 N PRO A 107 6.375 7.875 -6.135 1.00 0.00 N ATOM 1604 CA PRO A 107 7.595 8.622 -6.393 1.00 0.00 C ATOM 1605 C PRO A 107 7.946 9.524 -5.208 1.00 0.00 C ATOM 1606 O PRO A 107 7.205 9.585 -4.228 1.00 0.00 O ATOM 1607 CB PRO A 107 7.319 9.399 -7.669 1.00 0.00 C ATOM 1608 CG PRO A 107 5.807 9.423 -7.824 1.00 0.00 C ATOM 1609 CD PRO A 107 5.224 8.392 -6.871 1.00 0.00 C ATOM 0 HA PRO A 107 8.465 7.977 -6.516 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.721 10.410 -7.605 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.792 8.921 -8.527 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.416 10.415 -7.599 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.525 9.195 -8.852 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.494 8.842 -6.199 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.711 7.597 -7.413 1.00 0.00 H new ATOM 1617 N ARG A 108 9.078 10.201 -5.336 1.00 0.00 N ATOM 1618 CA ARG A 108 9.536 11.097 -4.288 1.00 0.00 C ATOM 1619 C ARG A 108 8.359 11.886 -3.711 1.00 0.00 C ATOM 1620 O ARG A 108 7.485 12.334 -4.451 1.00 0.00 O ATOM 1621 CB ARG A 108 10.585 12.076 -4.820 1.00 0.00 C ATOM 1622 CG ARG A 108 11.995 11.500 -4.677 1.00 0.00 C ATOM 1623 CD ARG A 108 12.381 10.683 -5.912 1.00 0.00 C ATOM 1624 NE ARG A 108 12.481 11.568 -7.094 1.00 0.00 N ATOM 1625 CZ ARG A 108 12.395 11.141 -8.361 1.00 0.00 C ATOM 1626 NH1 ARG A 108 12.207 9.840 -8.619 1.00 0.00 N ATOM 1627 NH2 ARG A 108 12.496 12.016 -9.371 1.00 0.00 N ATOM 0 H ARG A 108 9.691 10.147 -6.149 1.00 0.00 H new ATOM 0 HA ARG A 108 9.988 10.487 -3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.383 12.297 -5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.517 13.019 -4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.710 12.310 -4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.046 10.870 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.333 10.180 -5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.638 9.906 -6.091 1.00 0.00 H new ATOM 0 HE ARG A 108 12.624 12.565 -6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.129 9.174 -7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 108 12.142 9.516 -9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.638 13.007 -9.175 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.431 11.691 -10.336 1.00 0.00 H new