USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=22 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 60 THR OG1 : rot -64:sc= 0.0238 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -167:sc= -1.61 (180deg=-2) USER MOD Set 2.1: A 44 LYS NZ :NH3+ 136:sc= 0.0916 (180deg=0) USER MOD Set 2.2: A 80 ASN : amide:sc= 1 K(o=1.1,f=-0.2) USER MOD Set 3.1: A 36 ASN : amide:sc= 0 X(o=-2.8,f=-2.9) USER MOD Set 3.2: A 39 HIS : no HE2:sc= -2.85! C(o=-2.8!,f=-3.3!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.835! X(o=-0.83!,f=-0.41) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.492 F(o=-2!,f=-0.49) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0671 (180deg=-0.463) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 1.02 (180deg=0.785) USER MOD Single : A 40 LYS NZ :NH3+ -166:sc= -0.019 (180deg=-0.205) USER MOD Single : A 43 SER OG : rot 79:sc= 1.23 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0961) USER MOD Single : A 49 THR OG1 : rot 53:sc= -0.211 USER MOD Single : A 50 ASN : amide:sc= -0.868 X(o=-0.87,f=-0.65) USER MOD Single : A 53 TYR OH : rot 150:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 143:sc= -0.83 USER MOD Single : A 70 SER OG : rot 168:sc= -1.5! USER MOD Single : A 73 HIS : no HD1:sc= -14.5! C(o=-14!,f=-17!) USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= 1.28 (180deg=0.94) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 170:sc=-0.00513 (180deg=-0.102) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.201 K(o=-0.2,f=-4.7!) USER MOD Single : A 90 HIS : no HE2:sc= -2.61! C(o=-2.6!,f=-13!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 95 ASN :FLIP amide:sc= -0.284 F(o=-3.1!,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 209 N ASP A 15 -12.143 0.661 2.002 1.00 0.00 N ATOM 210 CA ASP A 15 -11.846 0.238 0.626 1.00 0.00 C ATOM 211 C ASP A 15 -10.639 0.957 0.048 1.00 0.00 C ATOM 212 O ASP A 15 -10.169 0.605 -1.034 1.00 0.00 O ATOM 213 CB ASP A 15 -13.045 0.588 -0.266 1.00 0.00 C ATOM 214 CG ASP A 15 -13.237 2.101 -0.401 1.00 0.00 C ATOM 215 OD1 ASP A 15 -13.603 2.757 0.595 1.00 0.00 O ATOM 216 OD2 ASP A 15 -12.981 2.664 -1.489 1.00 0.00 O ATOM 0 HA ASP A 15 -11.642 -0.832 0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.901 0.151 -1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.949 0.144 0.151 1.00 0.00 H new ATOM 221 N SER A 16 -10.141 1.940 0.759 1.00 0.00 N ATOM 222 CA SER A 16 -9.132 2.816 0.216 1.00 0.00 C ATOM 223 C SER A 16 -7.689 2.489 0.657 1.00 0.00 C ATOM 224 O SER A 16 -6.779 3.274 0.395 1.00 0.00 O ATOM 225 CB SER A 16 -9.479 4.238 0.592 1.00 0.00 C ATOM 226 OG SER A 16 -10.846 4.528 0.283 1.00 0.00 O ATOM 0 H SER A 16 -10.419 2.153 1.717 1.00 0.00 H new ATOM 0 HA SER A 16 -9.138 2.672 -0.864 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.302 4.390 1.657 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.827 4.929 0.058 1.00 0.00 H new ATOM 0 HG SER A 16 -11.049 5.453 0.536 1.00 0.00 H new ATOM 232 N VAL A 17 -7.451 1.332 1.241 1.00 0.00 N ATOM 233 CA VAL A 17 -6.102 1.048 1.707 1.00 0.00 C ATOM 234 C VAL A 17 -5.646 -0.386 1.384 1.00 0.00 C ATOM 235 O VAL A 17 -6.424 -1.335 1.482 1.00 0.00 O ATOM 236 CB VAL A 17 -5.957 1.344 3.227 1.00 0.00 C ATOM 237 CG1 VAL A 17 -6.866 0.448 4.051 1.00 0.00 C ATOM 238 CG2 VAL A 17 -4.504 1.236 3.685 1.00 0.00 C ATOM 0 H VAL A 17 -8.140 0.597 1.402 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.442 1.719 1.158 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.272 2.375 3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.742 0.679 5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.903 0.617 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.606 -0.596 3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.442 1.449 4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.137 0.228 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.895 1.954 3.136 1.00 0.00 H new ATOM 248 N ILE A 18 -4.401 -0.514 0.958 1.00 0.00 N ATOM 249 CA ILE A 18 -3.790 -1.810 0.704 1.00 0.00 C ATOM 250 C ILE A 18 -2.727 -2.018 1.742 1.00 0.00 C ATOM 251 O ILE A 18 -1.973 -1.089 2.058 1.00 0.00 O ATOM 252 CB ILE A 18 -3.024 -1.879 -0.642 1.00 0.00 C ATOM 253 CG1 ILE A 18 -3.771 -1.208 -1.767 1.00 0.00 C ATOM 254 CG2 ILE A 18 -2.698 -3.333 -1.012 1.00 0.00 C ATOM 255 CD1 ILE A 18 -5.085 -1.858 -2.112 1.00 0.00 C ATOM 0 H ILE A 18 -3.784 0.278 0.778 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.599 -2.541 0.706 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.093 -1.331 -0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.953 -0.168 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.138 -1.201 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.161 -3.355 -1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.078 -3.776 -0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.624 -3.901 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.557 -1.314 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.912 -2.890 -2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.739 -1.841 -1.240 1.00 0.00 H new ATOM 267 N VAL A 19 -2.668 -3.192 2.246 1.00 0.00 N ATOM 268 CA VAL A 19 -1.640 -3.617 3.144 1.00 0.00 C ATOM 269 C VAL A 19 -1.038 -4.867 2.546 1.00 0.00 C ATOM 270 O VAL A 19 -1.729 -5.886 2.397 1.00 0.00 O ATOM 271 CB VAL A 19 -2.192 -3.986 4.539 1.00 0.00 C ATOM 272 CG1 VAL A 19 -1.084 -4.406 5.481 1.00 0.00 C ATOM 273 CG2 VAL A 19 -3.051 -2.885 5.137 1.00 0.00 C ATOM 0 H VAL A 19 -3.355 -3.918 2.043 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.924 -2.805 3.272 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.848 -4.845 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.509 -4.658 6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.570 -5.276 5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.375 -3.586 5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.413 -3.197 6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.457 -1.977 5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.900 -2.690 4.482 1.00 0.00 H new ATOM 283 N VAL A 20 0.191 -4.786 2.153 1.00 0.00 N ATOM 284 CA VAL A 20 0.871 -5.939 1.603 1.00 0.00 C ATOM 285 C VAL A 20 1.926 -6.432 2.544 1.00 0.00 C ATOM 286 O VAL A 20 2.656 -5.646 3.160 1.00 0.00 O ATOM 287 CB VAL A 20 1.464 -5.730 0.191 1.00 0.00 C ATOM 288 CG1 VAL A 20 0.374 -5.637 -0.856 1.00 0.00 C ATOM 289 CG2 VAL A 20 2.302 -4.501 0.149 1.00 0.00 C ATOM 0 H VAL A 20 0.755 -3.937 2.198 1.00 0.00 H new ATOM 0 HA VAL A 20 0.095 -6.695 1.484 1.00 0.00 H new ATOM 0 HB VAL A 20 2.087 -6.596 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.824 -5.490 -1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.208 -6.558 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.280 -4.795 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.710 -4.373 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.691 -3.635 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.120 -4.593 0.864 1.00 0.00 H new ATOM 299 N ASP A 21 1.980 -7.714 2.666 1.00 0.00 N ATOM 300 CA ASP A 21 2.891 -8.380 3.563 1.00 0.00 C ATOM 301 C ASP A 21 4.118 -8.845 2.797 1.00 0.00 C ATOM 302 O ASP A 21 3.985 -9.324 1.673 1.00 0.00 O ATOM 303 CB ASP A 21 2.178 -9.578 4.169 1.00 0.00 C ATOM 304 CG ASP A 21 2.958 -10.274 5.251 1.00 0.00 C ATOM 305 OD1 ASP A 21 2.862 -9.855 6.422 1.00 0.00 O ATOM 306 OD2 ASP A 21 3.645 -11.269 4.961 1.00 0.00 O ATOM 0 H ASP A 21 1.384 -8.351 2.138 1.00 0.00 H new ATOM 0 HA ASP A 21 3.208 -7.696 4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.223 -9.250 4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.957 -10.294 3.378 1.00 0.00 H new ATOM 311 N ASN A 22 5.280 -8.694 3.424 1.00 0.00 N ATOM 312 CA ASN A 22 6.642 -9.052 2.927 1.00 0.00 C ATOM 313 C ASN A 22 6.955 -8.620 1.499 1.00 0.00 C ATOM 314 O ASN A 22 6.771 -9.352 0.522 1.00 0.00 O ATOM 315 CB ASN A 22 7.165 -10.489 3.304 1.00 0.00 C ATOM 316 CG ASN A 22 6.592 -11.693 2.541 1.00 0.00 C ATOM 317 OD1 ASN A 22 7.253 -12.712 2.410 1.00 0.00 O ATOM 318 ND2 ASN A 22 5.436 -11.585 2.015 1.00 0.00 N ATOM 0 H ASN A 22 5.319 -8.291 4.360 1.00 0.00 H new ATOM 0 HA ASN A 22 7.269 -8.401 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.247 -10.495 3.171 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.973 -10.645 4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.048 -12.357 1.474 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.899 -10.726 2.135 1.00 0.00 H new ATOM 325 N VAL A 23 7.425 -7.402 1.405 1.00 0.00 N ATOM 326 CA VAL A 23 7.778 -6.788 0.149 1.00 0.00 C ATOM 327 C VAL A 23 9.217 -7.179 -0.248 1.00 0.00 C ATOM 328 O VAL A 23 9.955 -7.701 0.588 1.00 0.00 O ATOM 329 CB VAL A 23 7.604 -5.236 0.218 1.00 0.00 C ATOM 330 CG1 VAL A 23 6.149 -4.876 0.466 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.475 -4.638 1.307 1.00 0.00 C ATOM 0 H VAL A 23 7.576 -6.798 2.213 1.00 0.00 H new ATOM 0 HA VAL A 23 7.102 -7.156 -0.623 1.00 0.00 H new ATOM 0 HB VAL A 23 7.916 -4.822 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.045 -3.792 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.534 -5.266 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.822 -5.312 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.334 -3.557 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.196 -5.064 2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.521 -4.863 1.101 1.00 0.00 H new ATOM 341 N PRO A 24 9.605 -6.983 -1.540 1.00 0.00 N ATOM 342 CA PRO A 24 10.933 -7.324 -2.072 1.00 0.00 C ATOM 343 C PRO A 24 12.146 -6.981 -1.214 1.00 0.00 C ATOM 344 O PRO A 24 12.190 -5.972 -0.465 1.00 0.00 O ATOM 345 CB PRO A 24 11.004 -6.605 -3.428 1.00 0.00 C ATOM 346 CG PRO A 24 9.746 -5.799 -3.516 1.00 0.00 C ATOM 347 CD PRO A 24 8.759 -6.488 -2.633 1.00 0.00 C ATOM 0 HA PRO A 24 11.005 -8.411 -2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.885 -5.966 -3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 24 11.071 -7.319 -4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.915 -4.773 -3.188 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.384 -5.750 -4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.989 -5.805 -2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.248 -7.300 -3.151 1.00 0.00 H new ATOM 355 N GLN A 25 13.101 -7.876 -1.344 1.00 0.00 N ATOM 356 CA GLN A 25 14.397 -7.839 -0.730 1.00 0.00 C ATOM 357 C GLN A 25 15.190 -6.632 -1.200 1.00 0.00 C ATOM 358 O GLN A 25 15.018 -6.148 -2.324 1.00 0.00 O ATOM 359 CB GLN A 25 15.092 -9.186 -1.061 1.00 0.00 C ATOM 360 CG GLN A 25 16.587 -9.312 -0.806 1.00 0.00 C ATOM 361 CD GLN A 25 17.464 -8.764 -1.942 1.00 0.00 C ATOM 362 OE1 GLN A 25 16.990 -8.844 -3.163 1.00 0.00 O flip ATOM 363 NE2 GLN A 25 18.574 -8.293 -1.716 1.00 0.00 N flip ATOM 0 H GLN A 25 12.976 -8.705 -1.925 1.00 0.00 H new ATOM 0 HA GLN A 25 14.321 -7.726 0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.591 -9.967 -0.489 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.916 -9.400 -2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 25 16.833 -8.785 0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.831 -10.363 -0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 25 18.921 -8.241 -0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 25 19.150 -7.953 -2.486 1.00 0.00 H new ATOM 372 N VAL A 26 16.065 -6.173 -0.364 1.00 0.00 N ATOM 373 CA VAL A 26 16.833 -5.014 -0.667 1.00 0.00 C ATOM 374 C VAL A 26 18.303 -5.266 -0.382 1.00 0.00 C ATOM 375 O VAL A 26 18.660 -6.047 0.515 1.00 0.00 O ATOM 376 CB VAL A 26 16.356 -3.783 0.156 1.00 0.00 C ATOM 377 CG1 VAL A 26 16.771 -3.874 1.604 1.00 0.00 C ATOM 378 CG2 VAL A 26 16.843 -2.505 -0.435 1.00 0.00 C ATOM 0 H VAL A 26 16.265 -6.591 0.545 1.00 0.00 H new ATOM 0 HA VAL A 26 16.694 -4.798 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 26 15.267 -3.790 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.417 -2.994 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 26 16.339 -4.769 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.858 -3.925 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 26 16.490 -1.668 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.933 -2.505 -0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.463 -2.406 -1.452 1.00 0.00 H new ATOM 388 N GLY A 27 19.119 -4.657 -1.174 1.00 0.00 N ATOM 389 CA GLY A 27 20.527 -4.613 -0.917 1.00 0.00 C ATOM 390 C GLY A 27 20.805 -3.312 -0.197 1.00 0.00 C ATOM 391 O GLY A 27 19.900 -2.472 -0.122 1.00 0.00 O ATOM 0 H GLY A 27 18.831 -4.172 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 27 20.835 -5.464 -0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.091 -4.666 -1.848 1.00 0.00 H new ATOM 395 N PRO A 28 22.002 -3.072 0.319 1.00 0.00 N ATOM 396 CA PRO A 28 22.272 -1.858 1.101 1.00 0.00 C ATOM 397 C PRO A 28 22.018 -0.583 0.298 1.00 0.00 C ATOM 398 O PRO A 28 22.567 -0.399 -0.798 1.00 0.00 O ATOM 399 CB PRO A 28 23.756 -1.979 1.437 1.00 0.00 C ATOM 400 CG PRO A 28 24.041 -3.427 1.316 1.00 0.00 C ATOM 401 CD PRO A 28 23.187 -3.920 0.195 1.00 0.00 C ATOM 0 HA PRO A 28 21.624 -1.784 1.974 1.00 0.00 H new ATOM 0 HB2 PRO A 28 24.368 -1.394 0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 28 23.967 -1.614 2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.097 -3.601 1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 28 23.808 -3.950 2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 28 23.675 -3.800 -0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 28 22.945 -4.977 0.301 1.00 0.00 H new ATOM 409 N ASP A 29 21.181 0.281 0.867 1.00 0.00 N ATOM 410 CA ASP A 29 20.791 1.581 0.282 1.00 0.00 C ATOM 411 C ASP A 29 20.078 1.407 -1.080 1.00 0.00 C ATOM 412 O ASP A 29 20.006 2.313 -1.899 1.00 0.00 O ATOM 413 CB ASP A 29 21.999 2.566 0.206 1.00 0.00 C ATOM 414 CG ASP A 29 21.613 3.977 -0.246 1.00 0.00 C ATOM 415 OD1 ASP A 29 20.775 4.630 0.424 1.00 0.00 O ATOM 416 OD2 ASP A 29 22.158 4.469 -1.261 1.00 0.00 O ATOM 0 H ASP A 29 20.740 0.101 1.769 1.00 0.00 H new ATOM 0 HA ASP A 29 20.063 2.036 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 29 22.471 2.624 1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.742 2.164 -0.482 1.00 0.00 H new ATOM 421 N ARG A 30 19.514 0.239 -1.317 1.00 0.00 N ATOM 422 CA ARG A 30 18.747 0.052 -2.551 1.00 0.00 C ATOM 423 C ARG A 30 17.273 0.347 -2.329 1.00 0.00 C ATOM 424 O ARG A 30 16.498 0.307 -3.270 1.00 0.00 O ATOM 425 CB ARG A 30 18.856 -1.361 -3.133 1.00 0.00 C ATOM 426 CG ARG A 30 20.219 -1.818 -3.601 1.00 0.00 C ATOM 427 CD ARG A 30 20.074 -3.201 -4.220 1.00 0.00 C ATOM 428 NE ARG A 30 21.339 -3.818 -4.586 1.00 0.00 N ATOM 429 CZ ARG A 30 21.513 -5.137 -4.773 1.00 0.00 C ATOM 430 NH1 ARG A 30 20.489 -5.983 -4.598 1.00 0.00 N ATOM 431 NH2 ARG A 30 22.701 -5.601 -5.135 1.00 0.00 N ATOM 0 H ARG A 30 19.563 -0.573 -0.702 1.00 0.00 H new ATOM 0 HA ARG A 30 19.185 0.753 -3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.506 -2.064 -2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.169 -1.432 -3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 30 20.625 -1.117 -4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.917 -1.848 -2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.554 -3.851 -3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.447 -3.127 -5.108 1.00 0.00 H new ATOM 0 HE ARG A 30 22.148 -3.209 -4.709 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.574 -5.626 -4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.624 -6.984 -4.741 1.00 0.00 H new ATOM 0 HH21 ARG A 30 23.480 -4.957 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.836 -6.602 -5.278 1.00 0.00 H new ATOM 445 N LEU A 31 16.886 0.668 -1.092 1.00 0.00 N ATOM 446 CA LEU A 31 15.472 0.846 -0.744 1.00 0.00 C ATOM 447 C LEU A 31 14.855 2.010 -1.547 1.00 0.00 C ATOM 448 O LEU A 31 13.656 2.052 -1.762 1.00 0.00 O ATOM 449 CB LEU A 31 15.287 1.000 0.802 1.00 0.00 C ATOM 450 CG LEU A 31 13.921 0.548 1.430 1.00 0.00 C ATOM 451 CD1 LEU A 31 12.752 1.422 1.026 1.00 0.00 C ATOM 452 CD2 LEU A 31 13.633 -0.905 1.088 1.00 0.00 C ATOM 0 H LEU A 31 17.531 0.810 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 31 14.924 -0.053 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.082 0.437 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.439 2.050 1.053 1.00 0.00 H new ATOM 0 HG LEU A 31 14.031 0.658 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.841 1.052 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.936 2.447 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.637 1.397 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.682 -1.202 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.580 -1.020 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.430 -1.536 1.482 1.00 0.00 H new ATOM 464 N GLU A 32 15.696 2.922 -1.997 1.00 0.00 N ATOM 465 CA GLU A 32 15.304 4.007 -2.899 1.00 0.00 C ATOM 466 C GLU A 32 14.637 3.404 -4.162 1.00 0.00 C ATOM 467 O GLU A 32 13.530 3.796 -4.543 1.00 0.00 O ATOM 468 CB GLU A 32 16.575 4.830 -3.232 1.00 0.00 C ATOM 469 CG GLU A 32 16.410 6.075 -4.117 1.00 0.00 C ATOM 470 CD GLU A 32 16.289 5.774 -5.592 1.00 0.00 C ATOM 471 OE1 GLU A 32 17.321 5.434 -6.227 1.00 0.00 O ATOM 472 OE2 GLU A 32 15.193 5.902 -6.147 1.00 0.00 O ATOM 0 H GLU A 32 16.685 2.937 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 32 14.573 4.673 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 32 17.026 5.145 -2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.287 4.164 -3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.523 6.621 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.264 6.734 -3.961 1.00 0.00 H new ATOM 479 N LYS A 33 15.281 2.389 -4.726 1.00 0.00 N ATOM 480 CA LYS A 33 14.782 1.688 -5.915 1.00 0.00 C ATOM 481 C LYS A 33 13.558 0.892 -5.552 1.00 0.00 C ATOM 482 O LYS A 33 12.586 0.814 -6.304 1.00 0.00 O ATOM 483 CB LYS A 33 15.819 0.708 -6.414 1.00 0.00 C ATOM 484 CG LYS A 33 17.133 1.316 -6.773 1.00 0.00 C ATOM 485 CD LYS A 33 18.112 0.242 -7.157 1.00 0.00 C ATOM 486 CE LYS A 33 19.415 0.833 -7.657 1.00 0.00 C ATOM 487 NZ LYS A 33 19.219 1.651 -8.873 1.00 0.00 N ATOM 0 H LYS A 33 16.166 2.024 -4.375 1.00 0.00 H new ATOM 0 HA LYS A 33 14.557 2.431 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.982 -0.049 -5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 33 15.421 0.194 -7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.005 2.015 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.521 1.887 -5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.308 -0.398 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.676 -0.389 -7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.859 1.448 -6.874 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.120 0.029 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.132 1.782 -9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.557 1.168 -9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.831 2.579 -8.608 1.00 0.00 H new ATOM 501 N LEU A 34 13.598 0.319 -4.374 1.00 0.00 N ATOM 502 CA LEU A 34 12.513 -0.501 -3.900 1.00 0.00 C ATOM 503 C LEU A 34 11.269 0.325 -3.529 1.00 0.00 C ATOM 504 O LEU A 34 10.245 -0.229 -3.137 1.00 0.00 O ATOM 505 CB LEU A 34 12.932 -1.457 -2.762 1.00 0.00 C ATOM 506 CG LEU A 34 13.725 -2.740 -3.150 1.00 0.00 C ATOM 507 CD1 LEU A 34 12.914 -3.617 -4.078 1.00 0.00 C ATOM 508 CD2 LEU A 34 15.066 -2.423 -3.789 1.00 0.00 C ATOM 0 H LEU A 34 14.378 0.407 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 34 12.232 -1.133 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.536 -0.891 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.030 -1.767 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 34 13.917 -3.276 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.490 -4.506 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.989 -3.914 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.677 -3.064 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.578 -3.352 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 34 14.908 -1.839 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.676 -1.850 -3.090 1.00 0.00 H new ATOM 520 N LYS A 35 11.388 1.647 -3.569 1.00 0.00 N ATOM 521 CA LYS A 35 10.229 2.513 -3.445 1.00 0.00 C ATOM 522 C LYS A 35 9.593 2.687 -4.810 1.00 0.00 C ATOM 523 O LYS A 35 8.370 2.784 -4.941 1.00 0.00 O ATOM 524 CB LYS A 35 10.596 3.892 -2.893 1.00 0.00 C ATOM 525 CG LYS A 35 11.168 3.886 -1.498 1.00 0.00 C ATOM 526 CD LYS A 35 11.328 5.302 -0.976 1.00 0.00 C ATOM 527 CE LYS A 35 11.851 5.324 0.448 1.00 0.00 C ATOM 528 NZ LYS A 35 13.271 4.926 0.526 1.00 0.00 N ATOM 0 H LYS A 35 12.274 2.138 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 35 9.537 2.043 -2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.319 4.355 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.705 4.520 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.514 3.320 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.135 3.382 -1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.012 5.852 -1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.367 5.815 -1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.733 6.326 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.253 4.652 1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.549 4.824 1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.405 4.019 0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.861 5.654 0.075 1.00 0.00 H new ATOM 542 N ASN A 36 10.440 2.644 -5.825 1.00 0.00 N ATOM 543 CA ASN A 36 10.060 2.927 -7.193 1.00 0.00 C ATOM 544 C ASN A 36 9.269 1.805 -7.745 1.00 0.00 C ATOM 545 O ASN A 36 8.226 2.015 -8.356 1.00 0.00 O ATOM 546 CB ASN A 36 11.303 3.170 -8.059 1.00 0.00 C ATOM 547 CG ASN A 36 10.985 3.327 -9.537 1.00 0.00 C ATOM 548 OD1 ASN A 36 10.958 2.351 -10.280 1.00 0.00 O ATOM 549 ND2 ASN A 36 10.766 4.534 -9.972 1.00 0.00 N ATOM 0 H ASN A 36 11.426 2.407 -5.716 1.00 0.00 H new ATOM 0 HA ASN A 36 9.449 3.830 -7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.813 4.067 -7.707 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.995 2.338 -7.930 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.564 4.691 -10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.796 5.322 -9.326 1.00 0.00 H new ATOM 556 N VAL A 37 9.747 0.604 -7.485 1.00 0.00 N ATOM 557 CA VAL A 37 9.111 -0.604 -7.958 1.00 0.00 C ATOM 558 C VAL A 37 7.650 -0.678 -7.462 1.00 0.00 C ATOM 559 O VAL A 37 6.759 -1.141 -8.179 1.00 0.00 O ATOM 560 CB VAL A 37 9.929 -1.865 -7.542 1.00 0.00 C ATOM 561 CG1 VAL A 37 9.952 -2.082 -6.036 1.00 0.00 C ATOM 562 CG2 VAL A 37 9.445 -3.092 -8.261 1.00 0.00 C ATOM 0 H VAL A 37 10.592 0.441 -6.937 1.00 0.00 H new ATOM 0 HA VAL A 37 9.089 -0.580 -9.047 1.00 0.00 H new ATOM 0 HB VAL A 37 10.959 -1.678 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.535 -2.973 -5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.404 -1.217 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.933 -2.211 -5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.036 -3.953 -7.949 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.396 -3.265 -8.020 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.552 -2.949 -9.336 1.00 0.00 H new ATOM 572 N ILE A 38 7.416 -0.141 -6.265 1.00 0.00 N ATOM 573 CA ILE A 38 6.101 -0.102 -5.689 1.00 0.00 C ATOM 574 C ILE A 38 5.206 0.818 -6.492 1.00 0.00 C ATOM 575 O ILE A 38 4.239 0.373 -7.093 1.00 0.00 O ATOM 576 CB ILE A 38 6.106 0.400 -4.227 1.00 0.00 C ATOM 577 CG1 ILE A 38 7.057 -0.416 -3.338 1.00 0.00 C ATOM 578 CG2 ILE A 38 4.696 0.388 -3.664 1.00 0.00 C ATOM 579 CD1 ILE A 38 6.842 -1.916 -3.389 1.00 0.00 C ATOM 0 H ILE A 38 8.141 0.275 -5.680 1.00 0.00 H new ATOM 0 HA ILE A 38 5.730 -1.127 -5.705 1.00 0.00 H new ATOM 0 HB ILE A 38 6.477 1.425 -4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.084 -0.200 -3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.945 -0.082 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.713 0.744 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.060 1.040 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.302 -0.628 -3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.558 -2.409 -2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.829 -2.150 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.985 -2.270 -4.410 1.00 0.00 H new ATOM 591 N HIS A 39 5.557 2.101 -6.544 1.00 0.00 N ATOM 592 CA HIS A 39 4.715 3.068 -7.213 1.00 0.00 C ATOM 593 C HIS A 39 4.608 2.830 -8.706 1.00 0.00 C ATOM 594 O HIS A 39 3.688 3.315 -9.343 1.00 0.00 O ATOM 595 CB HIS A 39 5.049 4.536 -6.857 1.00 0.00 C ATOM 596 CG HIS A 39 6.469 5.007 -7.076 1.00 0.00 C ATOM 597 ND1 HIS A 39 7.304 5.379 -6.050 1.00 0.00 N ATOM 598 CD2 HIS A 39 7.157 5.255 -8.219 1.00 0.00 C ATOM 599 CE1 HIS A 39 8.437 5.837 -6.571 1.00 0.00 C ATOM 600 NE2 HIS A 39 8.407 5.785 -7.893 1.00 0.00 N ATOM 0 H HIS A 39 6.409 2.484 -6.134 1.00 0.00 H new ATOM 0 HA HIS A 39 3.716 2.899 -6.811 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.389 5.180 -7.437 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.803 4.691 -5.807 1.00 0.00 H new ATOM 0 HD1 HIS A 39 7.090 5.314 -5.055 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.796 5.072 -9.220 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.272 6.203 -5.992 1.00 0.00 H new ATOM 608 N LYS A 40 5.547 2.104 -9.253 1.00 0.00 N ATOM 609 CA LYS A 40 5.502 1.716 -10.617 1.00 0.00 C ATOM 610 C LYS A 40 4.385 0.668 -10.823 1.00 0.00 C ATOM 611 O LYS A 40 3.418 0.911 -11.556 1.00 0.00 O ATOM 612 CB LYS A 40 6.852 1.123 -11.008 1.00 0.00 C ATOM 613 CG LYS A 40 7.071 1.023 -12.486 1.00 0.00 C ATOM 614 CD LYS A 40 7.146 2.408 -13.093 1.00 0.00 C ATOM 615 CE LYS A 40 7.363 2.348 -14.570 1.00 0.00 C ATOM 616 NZ LYS A 40 8.650 1.711 -14.922 1.00 0.00 N ATOM 0 H LYS A 40 6.368 1.768 -8.750 1.00 0.00 H new ATOM 0 HA LYS A 40 5.290 2.583 -11.242 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.644 1.734 -10.575 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.940 0.129 -10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.992 0.477 -12.689 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.259 0.459 -12.945 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.224 2.949 -12.881 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.958 2.967 -12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.547 1.793 -15.033 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.335 3.357 -14.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.869 1.900 -15.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.405 2.100 -14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.582 0.684 -14.771 1.00 0.00 H new ATOM 630 N ILE A 41 4.504 -0.464 -10.127 1.00 0.00 N ATOM 631 CA ILE A 41 3.564 -1.587 -10.265 1.00 0.00 C ATOM 632 C ILE A 41 2.177 -1.240 -9.735 1.00 0.00 C ATOM 633 O ILE A 41 1.171 -1.487 -10.397 1.00 0.00 O ATOM 634 CB ILE A 41 4.103 -2.866 -9.542 1.00 0.00 C ATOM 635 CG1 ILE A 41 5.417 -3.330 -10.194 1.00 0.00 C ATOM 636 CG2 ILE A 41 3.061 -4.000 -9.536 1.00 0.00 C ATOM 637 CD1 ILE A 41 6.064 -4.520 -9.508 1.00 0.00 C ATOM 0 H ILE A 41 5.251 -0.632 -9.453 1.00 0.00 H new ATOM 0 HA ILE A 41 3.477 -1.792 -11.332 1.00 0.00 H new ATOM 0 HB ILE A 41 4.300 -2.606 -8.502 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.222 -3.586 -11.235 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.122 -2.499 -10.197 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.473 -4.870 -9.025 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.163 -3.666 -9.017 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.809 -4.268 -10.562 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.984 -4.784 -10.029 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.293 -4.263 -8.474 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.380 -5.368 -9.528 1.00 0.00 H new ATOM 649 N PHE A 42 2.131 -0.606 -8.587 1.00 0.00 N ATOM 650 CA PHE A 42 0.878 -0.319 -7.911 1.00 0.00 C ATOM 651 C PHE A 42 0.008 0.709 -8.622 1.00 0.00 C ATOM 652 O PHE A 42 -1.156 0.877 -8.284 1.00 0.00 O ATOM 653 CB PHE A 42 1.104 0.043 -6.458 1.00 0.00 C ATOM 654 CG PHE A 42 1.411 -1.132 -5.572 1.00 0.00 C ATOM 655 CD1 PHE A 42 2.636 -1.772 -5.611 1.00 0.00 C ATOM 656 CD2 PHE A 42 0.469 -1.572 -4.682 1.00 0.00 C ATOM 657 CE1 PHE A 42 2.906 -2.830 -4.774 1.00 0.00 C ATOM 658 CE2 PHE A 42 0.726 -2.622 -3.844 1.00 0.00 C ATOM 659 CZ PHE A 42 1.949 -3.256 -3.882 1.00 0.00 C ATOM 0 H PHE A 42 2.958 -0.273 -8.092 1.00 0.00 H new ATOM 0 HA PHE A 42 0.307 -1.247 -7.946 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.927 0.755 -6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.216 0.548 -6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.391 -1.437 -6.307 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.493 -1.082 -4.641 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.865 -3.324 -4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.032 -2.955 -3.150 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.155 -4.081 -3.216 1.00 0.00 H new ATOM 669 N SER A 43 0.549 1.359 -9.633 1.00 0.00 N ATOM 670 CA SER A 43 -0.223 2.271 -10.443 1.00 0.00 C ATOM 671 C SER A 43 -1.301 1.535 -11.285 1.00 0.00 C ATOM 672 O SER A 43 -2.074 2.164 -12.017 1.00 0.00 O ATOM 673 CB SER A 43 0.690 3.126 -11.307 1.00 0.00 C ATOM 674 OG SER A 43 1.451 4.020 -10.500 1.00 0.00 O ATOM 0 H SER A 43 1.526 1.270 -9.912 1.00 0.00 H new ATOM 0 HA SER A 43 -0.764 2.936 -9.770 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.360 2.486 -11.882 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.096 3.692 -12.025 1.00 0.00 H new ATOM 0 HG SER A 43 2.204 3.538 -10.098 1.00 0.00 H new ATOM 680 N LYS A 44 -1.335 0.205 -11.187 1.00 0.00 N ATOM 681 CA LYS A 44 -2.401 -0.579 -11.788 1.00 0.00 C ATOM 682 C LYS A 44 -3.710 -0.368 -11.037 1.00 0.00 C ATOM 683 O LYS A 44 -4.790 -0.331 -11.635 1.00 0.00 O ATOM 684 CB LYS A 44 -2.079 -2.074 -11.793 1.00 0.00 C ATOM 685 CG LYS A 44 -1.677 -2.662 -10.449 1.00 0.00 C ATOM 686 CD LYS A 44 -1.602 -4.184 -10.484 1.00 0.00 C ATOM 687 CE LYS A 44 -2.987 -4.811 -10.672 1.00 0.00 C ATOM 688 NZ LYS A 44 -2.927 -6.282 -10.748 1.00 0.00 N ATOM 0 H LYS A 44 -0.633 -0.347 -10.695 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.498 -0.237 -12.818 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.951 -2.615 -12.160 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.272 -2.252 -12.504 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.708 -2.259 -10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.396 -2.353 -9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.946 -4.498 -11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.159 -4.549 -9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.632 -4.518 -9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.440 -4.420 -11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.688 -6.691 -10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.044 -6.584 -11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.007 -6.611 -10.393 1.00 0.00 H new ATOM 702 N PHE A 45 -3.589 -0.205 -9.735 1.00 0.00 N ATOM 703 CA PHE A 45 -4.740 -0.059 -8.844 1.00 0.00 C ATOM 704 C PHE A 45 -5.286 1.357 -8.875 1.00 0.00 C ATOM 705 O PHE A 45 -6.391 1.618 -8.408 1.00 0.00 O ATOM 706 CB PHE A 45 -4.368 -0.427 -7.403 1.00 0.00 C ATOM 707 CG PHE A 45 -3.925 -1.845 -7.201 1.00 0.00 C ATOM 708 CD1 PHE A 45 -4.849 -2.834 -6.951 1.00 0.00 C ATOM 709 CD2 PHE A 45 -2.585 -2.182 -7.239 1.00 0.00 C ATOM 710 CE1 PHE A 45 -4.453 -4.132 -6.738 1.00 0.00 C ATOM 711 CE2 PHE A 45 -2.177 -3.485 -7.029 1.00 0.00 C ATOM 712 CZ PHE A 45 -3.114 -4.462 -6.775 1.00 0.00 C ATOM 0 H PHE A 45 -2.689 -0.169 -9.256 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.511 -0.742 -9.201 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.571 0.237 -7.070 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.229 -0.237 -6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.900 -2.586 -6.922 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.848 -1.417 -7.435 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.191 -4.895 -6.541 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.127 -3.737 -7.064 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.802 -5.482 -6.606 1.00 0.00 H new ATOM 722 N GLY A 46 -4.514 2.254 -9.406 1.00 0.00 N ATOM 723 CA GLY A 46 -4.905 3.623 -9.485 1.00 0.00 C ATOM 724 C GLY A 46 -3.701 4.475 -9.318 1.00 0.00 C ATOM 725 O GLY A 46 -2.582 3.984 -9.483 1.00 0.00 O ATOM 0 H GLY A 46 -3.593 2.055 -9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.380 3.825 -10.445 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.639 3.851 -8.712 1.00 0.00 H new ATOM 729 N LYS A 47 -3.886 5.714 -8.992 1.00 0.00 N ATOM 730 CA LYS A 47 -2.760 6.576 -8.790 1.00 0.00 C ATOM 731 C LYS A 47 -2.381 6.533 -7.338 1.00 0.00 C ATOM 732 O LYS A 47 -3.268 6.548 -6.472 1.00 0.00 O ATOM 733 CB LYS A 47 -3.080 8.017 -9.200 1.00 0.00 C ATOM 734 CG LYS A 47 -1.909 8.986 -9.027 1.00 0.00 C ATOM 735 CD LYS A 47 -2.284 10.423 -9.370 1.00 0.00 C ATOM 736 CE LYS A 47 -2.633 10.607 -10.849 1.00 0.00 C ATOM 737 NZ LYS A 47 -1.472 10.347 -11.735 1.00 0.00 N ATOM 0 H LYS A 47 -4.798 6.152 -8.860 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.934 6.231 -9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.395 8.026 -10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.924 8.373 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.555 8.942 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.082 8.668 -9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.134 10.727 -8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.455 11.082 -9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.448 9.934 -11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.992 11.623 -11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.702 10.645 -12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.648 10.883 -11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.251 9.331 -11.728 1.00 0.00 H new ATOM 751 N ILE A 48 -1.095 6.493 -7.066 1.00 0.00 N ATOM 752 CA ILE A 48 -0.602 6.487 -5.722 1.00 0.00 C ATOM 753 C ILE A 48 -0.777 7.899 -5.171 1.00 0.00 C ATOM 754 O ILE A 48 0.068 8.785 -5.382 1.00 0.00 O ATOM 755 CB ILE A 48 0.918 6.121 -5.664 1.00 0.00 C ATOM 756 CG1 ILE A 48 1.247 4.860 -6.500 1.00 0.00 C ATOM 757 CG2 ILE A 48 1.368 5.931 -4.222 1.00 0.00 C ATOM 758 CD1 ILE A 48 0.583 3.590 -6.035 1.00 0.00 C ATOM 0 H ILE A 48 -0.366 6.464 -7.779 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.150 5.743 -5.144 1.00 0.00 H new ATOM 0 HB ILE A 48 1.466 6.955 -6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.958 5.044 -7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.327 4.710 -6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.428 5.677 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.206 6.854 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.793 5.126 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.877 2.766 -6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.890 3.372 -5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.500 3.711 -6.071 1.00 0.00 H new ATOM 770 N THR A 49 -1.910 8.130 -4.584 1.00 0.00 N ATOM 771 CA THR A 49 -2.230 9.381 -4.007 1.00 0.00 C ATOM 772 C THR A 49 -1.528 9.551 -2.674 1.00 0.00 C ATOM 773 O THR A 49 -1.017 10.631 -2.358 1.00 0.00 O ATOM 774 CB THR A 49 -3.750 9.511 -3.894 1.00 0.00 C ATOM 775 OG1 THR A 49 -4.294 8.206 -3.629 1.00 0.00 O ATOM 776 CG2 THR A 49 -4.338 10.054 -5.188 1.00 0.00 C ATOM 0 H THR A 49 -2.649 7.433 -4.495 1.00 0.00 H new ATOM 0 HA THR A 49 -1.873 10.188 -4.647 1.00 0.00 H new ATOM 0 HB THR A 49 -3.999 10.202 -3.089 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.837 7.812 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.420 10.139 -5.088 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.914 11.036 -5.396 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.102 9.376 -6.008 1.00 0.00 H new ATOM 784 N ASN A 50 -1.457 8.486 -1.916 1.00 0.00 N ATOM 785 CA ASN A 50 -0.748 8.491 -0.667 1.00 0.00 C ATOM 786 C ASN A 50 -0.180 7.096 -0.427 1.00 0.00 C ATOM 787 O ASN A 50 -0.824 6.097 -0.757 1.00 0.00 O ATOM 788 CB ASN A 50 -1.679 8.920 0.478 1.00 0.00 C ATOM 789 CG ASN A 50 -1.001 9.045 1.821 1.00 0.00 C ATOM 790 OD1 ASN A 50 -1.607 8.776 2.837 1.00 0.00 O ATOM 791 ND2 ASN A 50 0.222 9.516 1.847 1.00 0.00 N ATOM 0 H ASN A 50 -1.890 7.592 -2.150 1.00 0.00 H new ATOM 0 HA ASN A 50 0.070 9.210 -0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.131 9.878 0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.490 8.197 0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.692 9.666 2.740 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.704 9.732 0.974 1.00 0.00 H new ATOM 798 N ASP A 51 1.023 7.026 0.077 1.00 0.00 N ATOM 799 CA ASP A 51 1.683 5.753 0.326 1.00 0.00 C ATOM 800 C ASP A 51 2.517 5.845 1.575 1.00 0.00 C ATOM 801 O ASP A 51 2.933 6.939 1.975 1.00 0.00 O ATOM 802 CB ASP A 51 2.575 5.333 -0.859 1.00 0.00 C ATOM 803 CG ASP A 51 3.761 6.254 -1.104 1.00 0.00 C ATOM 804 OD1 ASP A 51 4.817 6.063 -0.490 1.00 0.00 O ATOM 805 OD2 ASP A 51 3.672 7.162 -1.954 1.00 0.00 O ATOM 0 H ASP A 51 1.580 7.842 0.329 1.00 0.00 H new ATOM 0 HA ASP A 51 0.908 4.997 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.944 4.323 -0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.966 5.295 -1.762 1.00 0.00 H new ATOM 810 N PHE A 52 2.729 4.721 2.210 1.00 0.00 N ATOM 811 CA PHE A 52 3.519 4.639 3.424 1.00 0.00 C ATOM 812 C PHE A 52 4.510 3.503 3.297 1.00 0.00 C ATOM 813 O PHE A 52 4.127 2.321 3.349 1.00 0.00 O ATOM 814 CB PHE A 52 2.630 4.396 4.658 1.00 0.00 C ATOM 815 CG PHE A 52 1.632 5.485 4.959 1.00 0.00 C ATOM 816 CD1 PHE A 52 0.432 5.570 4.263 1.00 0.00 C ATOM 817 CD2 PHE A 52 1.895 6.414 5.944 1.00 0.00 C ATOM 818 CE1 PHE A 52 -0.478 6.564 4.549 1.00 0.00 C ATOM 819 CE2 PHE A 52 0.988 7.410 6.235 1.00 0.00 C ATOM 820 CZ PHE A 52 -0.199 7.484 5.539 1.00 0.00 C ATOM 0 H PHE A 52 2.356 3.824 1.900 1.00 0.00 H new ATOM 0 HA PHE A 52 4.039 5.588 3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.090 3.460 4.517 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.273 4.265 5.528 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.211 4.849 3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.823 6.360 6.494 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.406 6.623 4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.207 8.132 7.008 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.911 8.263 5.768 1.00 0.00 H new ATOM 830 N TYR A 53 5.749 3.839 3.045 1.00 0.00 N ATOM 831 CA TYR A 53 6.796 2.843 2.955 1.00 0.00 C ATOM 832 C TYR A 53 7.701 2.957 4.176 1.00 0.00 C ATOM 833 O TYR A 53 8.454 3.932 4.289 1.00 0.00 O ATOM 834 CB TYR A 53 7.676 3.017 1.699 1.00 0.00 C ATOM 835 CG TYR A 53 6.959 3.162 0.364 1.00 0.00 C ATOM 836 CD1 TYR A 53 5.715 2.592 0.119 1.00 0.00 C ATOM 837 CD2 TYR A 53 7.554 3.882 -0.656 1.00 0.00 C ATOM 838 CE1 TYR A 53 5.091 2.748 -1.105 1.00 0.00 C ATOM 839 CE2 TYR A 53 6.945 4.039 -1.878 1.00 0.00 C ATOM 840 CZ TYR A 53 5.719 3.477 -2.102 1.00 0.00 C ATOM 841 OH TYR A 53 5.098 3.663 -3.329 1.00 0.00 O ATOM 0 H TYR A 53 6.063 4.798 2.897 1.00 0.00 H new ATOM 0 HA TYR A 53 6.306 1.871 2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.302 3.897 1.844 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.344 2.158 1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.229 2.019 0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.521 4.332 -0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.122 2.305 -1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.433 4.604 -2.658 1.00 0.00 H new ATOM 0 HH TYR A 53 5.382 4.519 -3.713 1.00 0.00 H new ATOM 851 N PRO A 54 7.632 2.027 5.129 1.00 0.00 N ATOM 852 CA PRO A 54 8.553 2.033 6.254 1.00 0.00 C ATOM 853 C PRO A 54 9.975 1.596 5.837 1.00 0.00 C ATOM 854 O PRO A 54 10.209 1.178 4.689 1.00 0.00 O ATOM 855 CB PRO A 54 7.948 1.048 7.248 1.00 0.00 C ATOM 856 CG PRO A 54 7.075 0.155 6.435 1.00 0.00 C ATOM 857 CD PRO A 54 6.634 0.947 5.228 1.00 0.00 C ATOM 0 HA PRO A 54 8.671 3.032 6.673 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.724 0.479 7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.374 1.567 8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.616 -0.741 6.131 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.213 -0.175 7.016 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.621 0.331 4.329 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.627 1.344 5.357 1.00 0.00 H new ATOM 865 N GLU A 55 10.895 1.703 6.746 1.00 0.00 N ATOM 866 CA GLU A 55 12.279 1.365 6.525 1.00 0.00 C ATOM 867 C GLU A 55 12.926 1.012 7.839 1.00 0.00 C ATOM 868 O GLU A 55 12.355 1.271 8.903 1.00 0.00 O ATOM 869 CB GLU A 55 13.015 2.562 5.938 1.00 0.00 C ATOM 870 CG GLU A 55 13.494 2.362 4.530 1.00 0.00 C ATOM 871 CD GLU A 55 14.189 3.586 3.969 1.00 0.00 C ATOM 872 OE1 GLU A 55 15.277 3.963 4.458 1.00 0.00 O ATOM 873 OE2 GLU A 55 13.651 4.212 3.036 1.00 0.00 O ATOM 0 H GLU A 55 10.704 2.037 7.691 1.00 0.00 H new ATOM 0 HA GLU A 55 12.330 0.521 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.355 3.429 5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.871 2.794 6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.179 1.515 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.646 2.108 3.895 1.00 0.00 H new ATOM 936 N THR A 60 15.077 -3.625 4.251 1.00 0.00 N ATOM 937 CA THR A 60 13.747 -3.644 3.749 1.00 0.00 C ATOM 938 C THR A 60 12.716 -3.998 4.796 1.00 0.00 C ATOM 939 O THR A 60 12.874 -4.921 5.614 1.00 0.00 O ATOM 940 CB THR A 60 13.565 -4.523 2.451 1.00 0.00 C ATOM 941 OG1 THR A 60 12.319 -4.207 1.778 1.00 0.00 O ATOM 942 CG2 THR A 60 13.600 -6.019 2.758 1.00 0.00 C ATOM 0 HA THR A 60 13.564 -2.611 3.452 1.00 0.00 H new ATOM 0 HB THR A 60 14.405 -4.285 1.799 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.565 -4.436 2.361 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.471 -6.583 1.834 1.00 0.00 H new ATOM 0 HG22 THR A 60 14.559 -6.276 3.209 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.796 -6.267 3.450 1.00 0.00 H new ATOM 950 N LYS A 61 11.760 -3.147 4.829 1.00 0.00 N ATOM 951 CA LYS A 61 10.488 -3.306 5.499 1.00 0.00 C ATOM 952 C LYS A 61 9.798 -4.609 5.057 1.00 0.00 C ATOM 953 O LYS A 61 10.081 -5.147 3.987 1.00 0.00 O ATOM 954 CB LYS A 61 9.618 -2.147 5.044 1.00 0.00 C ATOM 955 CG LYS A 61 9.930 -1.768 3.596 1.00 0.00 C ATOM 956 CD LYS A 61 8.856 -1.011 2.918 1.00 0.00 C ATOM 957 CE LYS A 61 9.361 -0.493 1.571 1.00 0.00 C ATOM 958 NZ LYS A 61 10.113 -1.534 0.802 1.00 0.00 N ATOM 0 H LYS A 61 11.834 -2.246 4.357 1.00 0.00 H new ATOM 0 HA LYS A 61 10.634 -3.333 6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.566 -2.419 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.782 -1.287 5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.844 -1.174 3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.130 -2.678 3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.986 -1.650 2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.536 -0.177 3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.514 -0.148 0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.007 0.369 1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.618 -1.085 0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.798 -2.002 1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.446 -2.240 0.430 1.00 0.00 H new ATOM 972 N GLY A 62 8.864 -5.058 5.838 1.00 0.00 N ATOM 973 CA GLY A 62 8.159 -6.272 5.522 1.00 0.00 C ATOM 974 C GLY A 62 6.692 -6.027 5.284 1.00 0.00 C ATOM 975 O GLY A 62 5.887 -6.941 5.364 1.00 0.00 O ATOM 0 H GLY A 62 8.568 -4.604 6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.599 -6.726 4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.280 -6.984 6.338 1.00 0.00 H new ATOM 979 N TYR A 63 6.344 -4.778 5.026 1.00 0.00 N ATOM 980 CA TYR A 63 4.967 -4.367 4.778 1.00 0.00 C ATOM 981 C TYR A 63 4.965 -2.936 4.278 1.00 0.00 C ATOM 982 O TYR A 63 5.935 -2.209 4.522 1.00 0.00 O ATOM 983 CB TYR A 63 4.110 -4.494 6.071 1.00 0.00 C ATOM 984 CG TYR A 63 4.682 -3.759 7.277 1.00 0.00 C ATOM 985 CD1 TYR A 63 5.685 -4.338 8.045 1.00 0.00 C ATOM 986 CD2 TYR A 63 4.240 -2.495 7.633 1.00 0.00 C ATOM 987 CE1 TYR A 63 6.224 -3.691 9.122 1.00 0.00 C ATOM 988 CE2 TYR A 63 4.783 -1.834 8.719 1.00 0.00 C ATOM 989 CZ TYR A 63 5.777 -2.445 9.458 1.00 0.00 C ATOM 990 OH TYR A 63 6.341 -1.795 10.530 1.00 0.00 O ATOM 0 H TYR A 63 7.014 -4.010 4.982 1.00 0.00 H new ATOM 0 HA TYR A 63 4.526 -5.019 4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.109 -4.112 5.869 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.004 -5.550 6.320 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.047 -5.322 7.785 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.461 -2.020 7.055 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.001 -4.164 9.705 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.433 -0.848 8.987 1.00 0.00 H new ATOM 0 HH TYR A 63 5.917 -0.919 10.641 1.00 0.00 H new ATOM 1000 N ILE A 64 3.929 -2.549 3.541 1.00 0.00 N ATOM 1001 CA ILE A 64 3.738 -1.155 3.089 1.00 0.00 C ATOM 1002 C ILE A 64 2.246 -0.884 3.051 1.00 0.00 C ATOM 1003 O ILE A 64 1.443 -1.832 3.146 1.00 0.00 O ATOM 1004 CB ILE A 64 4.316 -0.839 1.658 1.00 0.00 C ATOM 1005 CG1 ILE A 64 3.537 -1.557 0.585 1.00 0.00 C ATOM 1006 CG2 ILE A 64 5.769 -1.208 1.551 1.00 0.00 C ATOM 1007 CD1 ILE A 64 4.027 -1.313 -0.814 1.00 0.00 C ATOM 0 H ILE A 64 3.192 -3.185 3.235 1.00 0.00 H new ATOM 0 HA ILE A 64 4.283 -0.524 3.791 1.00 0.00 H new ATOM 0 HB ILE A 64 4.219 0.237 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.570 -2.628 0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.492 -1.253 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.131 -0.975 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.343 -0.642 2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.888 -2.275 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.408 -1.869 -1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.967 -0.248 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.062 -1.645 -0.900 1.00 0.00 H new ATOM 1019 N PHE A 65 1.875 0.370 2.901 1.00 0.00 N ATOM 1020 CA PHE A 65 0.478 0.750 2.851 1.00 0.00 C ATOM 1021 C PHE A 65 0.253 1.667 1.671 1.00 0.00 C ATOM 1022 O PHE A 65 1.036 2.597 1.432 1.00 0.00 O ATOM 1023 CB PHE A 65 0.064 1.464 4.148 1.00 0.00 C ATOM 1024 CG PHE A 65 0.423 0.715 5.406 1.00 0.00 C ATOM 1025 CD1 PHE A 65 -0.414 -0.252 5.903 1.00 0.00 C ATOM 1026 CD2 PHE A 65 1.612 0.980 6.079 1.00 0.00 C ATOM 1027 CE1 PHE A 65 -0.089 -0.950 7.051 1.00 0.00 C ATOM 1028 CE2 PHE A 65 1.942 0.289 7.225 1.00 0.00 C ATOM 1029 CZ PHE A 65 1.088 -0.678 7.711 1.00 0.00 C ATOM 0 H PHE A 65 2.527 1.149 2.811 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.129 -0.149 2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.536 2.446 4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.013 1.629 4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.339 -0.471 5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.284 1.736 5.699 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.758 -1.708 7.430 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.866 0.504 7.740 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.342 -1.222 8.609 1.00 0.00 H new ATOM 1039 N LEU A 66 -0.774 1.378 0.929 1.00 0.00 N ATOM 1040 CA LEU A 66 -1.172 2.165 -0.213 1.00 0.00 C ATOM 1041 C LEU A 66 -2.512 2.770 0.126 1.00 0.00 C ATOM 1042 O LEU A 66 -3.389 2.058 0.605 1.00 0.00 O ATOM 1043 CB LEU A 66 -1.360 1.282 -1.458 1.00 0.00 C ATOM 1044 CG LEU A 66 -0.155 0.589 -2.140 1.00 0.00 C ATOM 1045 CD1 LEU A 66 0.814 1.564 -2.770 1.00 0.00 C ATOM 1046 CD2 LEU A 66 0.559 -0.388 -1.228 1.00 0.00 C ATOM 0 H LEU A 66 -1.375 0.572 1.100 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.408 2.912 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.067 0.498 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.843 1.899 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.589 0.007 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.635 1.015 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.298 2.150 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.209 2.231 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.394 -0.841 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.934 0.140 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.136 -1.166 -0.913 1.00 0.00 H new ATOM 1058 N GLU A 67 -2.678 4.035 -0.107 1.00 0.00 N ATOM 1059 CA GLU A 67 -3.911 4.710 0.215 1.00 0.00 C ATOM 1060 C GLU A 67 -4.384 5.415 -1.068 1.00 0.00 C ATOM 1061 O GLU A 67 -3.683 6.285 -1.600 1.00 0.00 O ATOM 1062 CB GLU A 67 -3.602 5.681 1.380 1.00 0.00 C ATOM 1063 CG GLU A 67 -4.781 6.251 2.177 1.00 0.00 C ATOM 1064 CD GLU A 67 -5.626 7.257 1.447 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -5.188 8.413 1.278 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -6.777 6.942 1.108 1.00 0.00 O ATOM 0 H GLU A 67 -1.967 4.635 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.713 4.048 0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.945 5.164 2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.037 6.520 0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.419 5.425 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.394 6.716 3.083 1.00 0.00 H new ATOM 1073 N TYR A 68 -5.529 4.993 -1.589 1.00 0.00 N ATOM 1074 CA TYR A 68 -6.031 5.493 -2.874 1.00 0.00 C ATOM 1075 C TYR A 68 -7.428 6.094 -2.725 1.00 0.00 C ATOM 1076 O TYR A 68 -8.027 6.068 -1.659 1.00 0.00 O ATOM 1077 CB TYR A 68 -6.164 4.368 -3.914 1.00 0.00 C ATOM 1078 CG TYR A 68 -4.939 3.569 -4.299 1.00 0.00 C ATOM 1079 CD1 TYR A 68 -4.551 2.464 -3.563 1.00 0.00 C ATOM 1080 CD2 TYR A 68 -4.220 3.870 -5.435 1.00 0.00 C ATOM 1081 CE1 TYR A 68 -3.486 1.704 -3.937 1.00 0.00 C ATOM 1082 CE2 TYR A 68 -3.149 3.098 -5.823 1.00 0.00 C ATOM 1083 CZ TYR A 68 -2.792 2.015 -5.063 1.00 0.00 C ATOM 1084 OH TYR A 68 -1.741 1.237 -5.431 1.00 0.00 O ATOM 0 H TYR A 68 -6.134 4.303 -1.144 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.307 6.239 -3.200 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.910 3.665 -3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.567 4.810 -4.825 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.104 2.199 -2.674 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.502 4.726 -6.031 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -3.192 0.854 -3.339 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.595 3.343 -6.717 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.718 1.159 -6.408 1.00 0.00 H new ATOM 1094 N ALA A 69 -7.917 6.641 -3.813 1.00 0.00 N ATOM 1095 CA ALA A 69 -9.271 7.178 -3.934 1.00 0.00 C ATOM 1096 C ALA A 69 -9.998 6.414 -5.049 1.00 0.00 C ATOM 1097 O ALA A 69 -11.056 6.812 -5.544 1.00 0.00 O ATOM 1098 CB ALA A 69 -9.192 8.650 -4.279 1.00 0.00 C ATOM 0 H ALA A 69 -7.374 6.732 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.814 7.063 -2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.199 9.057 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.657 9.180 -3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.663 8.774 -5.224 1.00 0.00 H new ATOM 1104 N SER A 70 -9.402 5.326 -5.419 1.00 0.00 N ATOM 1105 CA SER A 70 -9.796 4.531 -6.549 1.00 0.00 C ATOM 1106 C SER A 70 -11.106 3.668 -6.255 1.00 0.00 C ATOM 1107 O SER A 70 -11.475 3.460 -5.100 1.00 0.00 O ATOM 1108 CB SER A 70 -8.539 3.672 -6.933 1.00 0.00 C ATOM 1109 OG SER A 70 -8.675 2.932 -8.133 1.00 0.00 O ATOM 0 H SER A 70 -8.594 4.948 -4.925 1.00 0.00 H new ATOM 0 HA SER A 70 -10.092 5.153 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.678 4.333 -7.025 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.325 2.981 -6.118 1.00 0.00 H new ATOM 0 HG SER A 70 -7.799 2.588 -8.406 1.00 0.00 H new ATOM 1115 N PRO A 71 -11.784 3.200 -7.355 1.00 0.00 N ATOM 1116 CA PRO A 71 -13.018 2.319 -7.437 1.00 0.00 C ATOM 1117 C PRO A 71 -13.275 1.158 -6.420 1.00 0.00 C ATOM 1118 O PRO A 71 -14.205 0.388 -6.668 1.00 0.00 O ATOM 1119 CB PRO A 71 -12.889 1.728 -8.818 1.00 0.00 C ATOM 1120 CG PRO A 71 -12.381 2.845 -9.625 1.00 0.00 C ATOM 1121 CD PRO A 71 -11.450 3.628 -8.743 1.00 0.00 C ATOM 0 HA PRO A 71 -13.866 2.959 -7.192 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.203 0.881 -8.829 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.848 1.367 -9.191 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.859 2.478 -10.509 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.200 3.472 -9.976 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.408 3.416 -8.982 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.594 4.701 -8.871 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.486 1.029 -5.341 1.00 0.00 N ATOM 1130 CA ALA A 72 -12.382 -0.159 -4.464 1.00 0.00 C ATOM 1131 C ALA A 72 -11.388 -1.087 -5.061 1.00 0.00 C ATOM 1132 O ALA A 72 -11.638 -2.215 -5.474 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.721 -0.848 -4.157 1.00 0.00 C ATOM 0 H ALA A 72 -11.872 1.785 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.046 0.175 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.548 -1.707 -3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.386 -0.144 -3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.180 -1.182 -5.087 1.00 0.00 H new ATOM 1139 N HIS A 73 -10.228 -0.515 -5.101 1.00 0.00 N ATOM 1140 CA HIS A 73 -8.985 -1.070 -5.584 1.00 0.00 C ATOM 1141 C HIS A 73 -8.461 -2.089 -4.586 1.00 0.00 C ATOM 1142 O HIS A 73 -7.792 -3.026 -4.944 1.00 0.00 O ATOM 1143 CB HIS A 73 -7.974 0.084 -5.715 1.00 0.00 C ATOM 1144 CG HIS A 73 -7.891 0.907 -4.450 1.00 0.00 C ATOM 1145 ND1 HIS A 73 -7.046 0.630 -3.417 1.00 0.00 N ATOM 1146 CD2 HIS A 73 -8.666 1.932 -4.027 1.00 0.00 C ATOM 1147 CE1 HIS A 73 -7.336 1.451 -2.420 1.00 0.00 C ATOM 1148 NE2 HIS A 73 -8.311 2.265 -2.748 1.00 0.00 N ATOM 0 H HIS A 73 -10.106 0.441 -4.768 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.134 -1.561 -6.545 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.990 -0.321 -5.950 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.262 0.726 -6.548 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -9.441 2.411 -4.606 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.836 1.451 -1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -8.721 2.997 -2.168 1.00 0.00 H new ATOM 1156 N ALA A 74 -8.772 -1.877 -3.313 1.00 0.00 N ATOM 1157 CA ALA A 74 -8.369 -2.807 -2.273 1.00 0.00 C ATOM 1158 C ALA A 74 -9.196 -4.063 -2.404 1.00 0.00 C ATOM 1159 O ALA A 74 -8.750 -5.178 -2.122 1.00 0.00 O ATOM 1160 CB ALA A 74 -8.523 -2.160 -0.909 1.00 0.00 C ATOM 0 H ALA A 74 -9.301 -1.071 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.318 -3.073 -2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.218 -2.865 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.896 -1.270 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.565 -1.880 -0.755 1.00 0.00 H new ATOM 1166 N VAL A 75 -10.384 -3.861 -2.914 1.00 0.00 N ATOM 1167 CA VAL A 75 -11.304 -4.917 -3.198 1.00 0.00 C ATOM 1168 C VAL A 75 -10.829 -5.641 -4.470 1.00 0.00 C ATOM 1169 O VAL A 75 -11.007 -6.837 -4.622 1.00 0.00 O ATOM 1170 CB VAL A 75 -12.735 -4.341 -3.365 1.00 0.00 C ATOM 1171 CG1 VAL A 75 -13.759 -5.430 -3.657 1.00 0.00 C ATOM 1172 CG2 VAL A 75 -13.127 -3.558 -2.109 1.00 0.00 C ATOM 0 H VAL A 75 -10.741 -2.934 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.338 -5.632 -2.376 1.00 0.00 H new ATOM 0 HB VAL A 75 -12.728 -3.670 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.746 -4.981 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.490 -5.944 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -13.774 -6.145 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.133 -3.155 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -13.104 -4.222 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.424 -2.739 -1.957 1.00 0.00 H new ATOM 1182 N ASP A 76 -10.172 -4.902 -5.356 1.00 0.00 N ATOM 1183 CA ASP A 76 -9.577 -5.510 -6.541 1.00 0.00 C ATOM 1184 C ASP A 76 -8.336 -6.289 -6.134 1.00 0.00 C ATOM 1185 O ASP A 76 -8.112 -7.386 -6.596 1.00 0.00 O ATOM 1186 CB ASP A 76 -9.213 -4.475 -7.609 1.00 0.00 C ATOM 1187 CG ASP A 76 -8.705 -5.126 -8.891 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -9.549 -5.552 -9.737 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -7.476 -5.208 -9.092 1.00 0.00 O ATOM 0 H ASP A 76 -10.038 -3.894 -5.279 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.319 -6.177 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.088 -3.865 -7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.449 -3.804 -7.217 1.00 0.00 H new ATOM 1194 N ALA A 77 -7.543 -5.712 -5.242 1.00 0.00 N ATOM 1195 CA ALA A 77 -6.349 -6.368 -4.697 1.00 0.00 C ATOM 1196 C ALA A 77 -6.693 -7.718 -4.086 1.00 0.00 C ATOM 1197 O ALA A 77 -6.038 -8.724 -4.376 1.00 0.00 O ATOM 1198 CB ALA A 77 -5.671 -5.478 -3.663 1.00 0.00 C ATOM 0 H ALA A 77 -7.704 -4.775 -4.872 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.657 -6.535 -5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.788 -5.983 -3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.375 -4.539 -4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.365 -5.275 -2.847 1.00 0.00 H new ATOM 1204 N VAL A 78 -7.740 -7.745 -3.270 1.00 0.00 N ATOM 1205 CA VAL A 78 -8.185 -8.948 -2.638 1.00 0.00 C ATOM 1206 C VAL A 78 -8.755 -9.941 -3.693 1.00 0.00 C ATOM 1207 O VAL A 78 -8.712 -11.154 -3.517 1.00 0.00 O ATOM 1208 CB VAL A 78 -9.229 -8.607 -1.541 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -10.657 -8.497 -2.046 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -9.108 -9.520 -0.386 1.00 0.00 C ATOM 0 H VAL A 78 -8.296 -6.922 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.339 -9.440 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.985 -7.600 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.319 -8.257 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.718 -7.710 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.960 -9.446 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.852 -9.256 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.272 -10.546 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.110 -9.432 0.044 1.00 0.00 H new ATOM 1220 N LYS A 79 -9.243 -9.395 -4.787 1.00 0.00 N ATOM 1221 CA LYS A 79 -9.757 -10.145 -5.909 1.00 0.00 C ATOM 1222 C LYS A 79 -8.611 -10.807 -6.689 1.00 0.00 C ATOM 1223 O LYS A 79 -8.771 -11.904 -7.219 1.00 0.00 O ATOM 1224 CB LYS A 79 -10.649 -9.177 -6.756 1.00 0.00 C ATOM 1225 CG LYS A 79 -10.812 -9.409 -8.265 1.00 0.00 C ATOM 1226 CD LYS A 79 -9.559 -9.007 -9.045 1.00 0.00 C ATOM 1227 CE LYS A 79 -9.807 -8.917 -10.526 1.00 0.00 C ATOM 1228 NZ LYS A 79 -10.671 -7.768 -10.859 1.00 0.00 N ATOM 0 H LYS A 79 -9.294 -8.385 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.384 -10.977 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.646 -9.187 -6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.252 -8.171 -6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.031 -10.461 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.665 -8.837 -8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.201 -8.044 -8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.768 -9.733 -8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.856 -8.823 -11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.274 -9.838 -10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.517 -7.494 -11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.668 -8.032 -10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.438 -6.967 -10.238 1.00 0.00 H new ATOM 1242 N ASN A 80 -7.463 -10.126 -6.736 1.00 0.00 N ATOM 1243 CA ASN A 80 -6.267 -10.623 -7.436 1.00 0.00 C ATOM 1244 C ASN A 80 -5.816 -11.936 -6.851 1.00 0.00 C ATOM 1245 O ASN A 80 -6.090 -13.000 -7.430 1.00 0.00 O ATOM 1246 CB ASN A 80 -5.096 -9.597 -7.418 1.00 0.00 C ATOM 1247 CG ASN A 80 -5.197 -8.501 -8.476 1.00 0.00 C ATOM 1248 OD1 ASN A 80 -4.642 -8.625 -9.572 1.00 0.00 O ATOM 1249 ND2 ASN A 80 -5.909 -7.457 -8.187 1.00 0.00 N ATOM 0 H ASN A 80 -7.333 -9.217 -6.292 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.551 -10.772 -8.478 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.053 -9.131 -6.434 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.158 -10.134 -7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.022 -6.711 -8.873 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.356 -7.382 -7.273 1.00 0.00 H new ATOM 1256 N ALA A 81 -5.174 -11.867 -5.689 1.00 0.00 N ATOM 1257 CA ALA A 81 -4.683 -13.035 -4.970 1.00 0.00 C ATOM 1258 C ALA A 81 -3.942 -12.614 -3.718 1.00 0.00 C ATOM 1259 O ALA A 81 -2.862 -12.050 -3.792 1.00 0.00 O ATOM 1260 CB ALA A 81 -3.746 -13.883 -5.833 1.00 0.00 C ATOM 0 H ALA A 81 -4.978 -10.985 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.555 -13.634 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.402 -14.744 -5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.279 -14.227 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.888 -13.283 -6.136 1.00 0.00 H new ATOM 1266 N ASP A 82 -4.561 -12.819 -2.588 1.00 0.00 N ATOM 1267 CA ASP A 82 -3.900 -12.650 -1.305 1.00 0.00 C ATOM 1268 C ASP A 82 -2.813 -13.679 -1.168 1.00 0.00 C ATOM 1269 O ASP A 82 -3.075 -14.886 -1.056 1.00 0.00 O ATOM 1270 CB ASP A 82 -4.908 -12.704 -0.139 1.00 0.00 C ATOM 1271 CG ASP A 82 -4.281 -13.047 1.186 1.00 0.00 C ATOM 1272 OD1 ASP A 82 -3.442 -12.291 1.671 1.00 0.00 O ATOM 1273 OD2 ASP A 82 -4.647 -14.090 1.773 1.00 0.00 O ATOM 0 H ASP A 82 -5.537 -13.108 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.444 -11.661 -1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.407 -11.738 -0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.677 -13.441 -0.369 1.00 0.00 H new ATOM 1278 N GLY A 83 -1.610 -13.212 -1.242 1.00 0.00 N ATOM 1279 CA GLY A 83 -0.482 -14.077 -1.231 1.00 0.00 C ATOM 1280 C GLY A 83 -0.029 -14.341 -2.643 1.00 0.00 C ATOM 1281 O GLY A 83 0.089 -15.493 -3.061 1.00 0.00 O ATOM 0 H GLY A 83 -1.384 -12.220 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.328 -13.626 -0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.737 -15.016 -0.739 1.00 0.00 H new ATOM 1285 N TYR A 84 0.191 -13.282 -3.404 1.00 0.00 N ATOM 1286 CA TYR A 84 0.628 -13.448 -4.765 1.00 0.00 C ATOM 1287 C TYR A 84 2.126 -13.291 -4.854 1.00 0.00 C ATOM 1288 O TYR A 84 2.708 -12.364 -4.280 1.00 0.00 O ATOM 1289 CB TYR A 84 -0.138 -12.557 -5.771 1.00 0.00 C ATOM 1290 CG TYR A 84 0.086 -11.054 -5.722 1.00 0.00 C ATOM 1291 CD1 TYR A 84 -0.617 -10.245 -4.841 1.00 0.00 C ATOM 1292 CD2 TYR A 84 0.955 -10.443 -6.618 1.00 0.00 C ATOM 1293 CE1 TYR A 84 -0.459 -8.876 -4.851 1.00 0.00 C ATOM 1294 CE2 TYR A 84 1.127 -9.076 -6.626 1.00 0.00 C ATOM 1295 CZ TYR A 84 0.416 -8.296 -5.745 1.00 0.00 C ATOM 1296 OH TYR A 84 0.563 -6.926 -5.772 1.00 0.00 O ATOM 0 H TYR A 84 0.074 -12.315 -3.102 1.00 0.00 H new ATOM 0 HA TYR A 84 0.380 -14.465 -5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.114 -12.898 -6.775 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.204 -12.739 -5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.299 -10.696 -4.136 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.506 -11.051 -7.321 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.018 -8.260 -4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.817 -8.620 -7.321 1.00 0.00 H new ATOM 0 HH TYR A 84 1.218 -6.681 -6.458 1.00 0.00 H new ATOM 1306 N LYS A 85 2.739 -14.201 -5.543 1.00 0.00 N ATOM 1307 CA LYS A 85 4.168 -14.305 -5.598 1.00 0.00 C ATOM 1308 C LYS A 85 4.748 -13.747 -6.865 1.00 0.00 C ATOM 1309 O LYS A 85 4.280 -14.051 -7.975 1.00 0.00 O ATOM 1310 CB LYS A 85 4.672 -15.757 -5.342 1.00 0.00 C ATOM 1311 CG LYS A 85 3.896 -16.887 -6.046 1.00 0.00 C ATOM 1312 CD LYS A 85 2.595 -17.246 -5.306 1.00 0.00 C ATOM 1313 CE LYS A 85 1.824 -18.350 -6.006 1.00 0.00 C ATOM 1314 NZ LYS A 85 2.572 -19.621 -6.036 1.00 0.00 N ATOM 0 H LYS A 85 2.253 -14.908 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 85 4.533 -13.684 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.716 -15.816 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.647 -15.943 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.660 -16.583 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.529 -17.772 -6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.832 -17.559 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.966 -16.359 -5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.871 -18.503 -5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.596 -18.041 -7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.948 -20.384 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.382 -19.532 -6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.914 -19.845 -5.080 1.00 0.00 H new ATOM 1328 N LEU A 86 5.728 -12.902 -6.694 1.00 0.00 N ATOM 1329 CA LEU A 86 6.466 -12.351 -7.812 1.00 0.00 C ATOM 1330 C LEU A 86 7.585 -13.301 -8.175 1.00 0.00 C ATOM 1331 O LEU A 86 7.609 -13.869 -9.269 1.00 0.00 O ATOM 1332 CB LEU A 86 7.080 -10.969 -7.514 1.00 0.00 C ATOM 1333 CG LEU A 86 6.139 -9.801 -7.213 1.00 0.00 C ATOM 1334 CD1 LEU A 86 6.946 -8.515 -7.104 1.00 0.00 C ATOM 1335 CD2 LEU A 86 5.058 -9.669 -8.283 1.00 0.00 C ATOM 0 H LEU A 86 6.041 -12.573 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 86 5.757 -12.225 -8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.752 -11.081 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.694 -10.688 -8.370 1.00 0.00 H new ATOM 0 HG LEU A 86 5.637 -9.994 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.276 -7.682 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.676 -8.610 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.465 -8.330 -8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.406 -8.830 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.525 -9.496 -9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.470 -10.586 -8.321 1.00 0.00 H new ATOM 1347 N ASP A 87 8.501 -13.483 -7.245 1.00 0.00 N ATOM 1348 CA ASP A 87 9.658 -14.331 -7.448 1.00 0.00 C ATOM 1349 C ASP A 87 10.240 -14.700 -6.104 1.00 0.00 C ATOM 1350 O ASP A 87 10.001 -13.998 -5.123 1.00 0.00 O ATOM 1351 CB ASP A 87 10.742 -13.614 -8.284 1.00 0.00 C ATOM 1352 CG ASP A 87 11.453 -12.497 -7.534 1.00 0.00 C ATOM 1353 OD1 ASP A 87 10.924 -11.360 -7.455 1.00 0.00 O ATOM 1354 OD2 ASP A 87 12.568 -12.728 -7.029 1.00 0.00 O ATOM 0 H ASP A 87 8.464 -13.045 -6.324 1.00 0.00 H new ATOM 0 HA ASP A 87 9.339 -15.222 -7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.480 -14.347 -8.611 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.282 -13.201 -9.182 1.00 0.00 H new ATOM 1359 N LYS A 88 10.973 -15.804 -6.084 1.00 0.00 N ATOM 1360 CA LYS A 88 11.671 -16.365 -4.915 1.00 0.00 C ATOM 1361 C LYS A 88 10.844 -16.325 -3.600 1.00 0.00 C ATOM 1362 O LYS A 88 10.051 -17.236 -3.351 1.00 0.00 O ATOM 1363 CB LYS A 88 13.085 -15.782 -4.759 1.00 0.00 C ATOM 1364 CG LYS A 88 13.976 -16.547 -3.785 1.00 0.00 C ATOM 1365 CD LYS A 88 15.358 -15.924 -3.684 1.00 0.00 C ATOM 1366 CE LYS A 88 16.248 -16.707 -2.733 1.00 0.00 C ATOM 1367 NZ LYS A 88 17.571 -16.072 -2.565 1.00 0.00 N ATOM 0 H LYS A 88 11.110 -16.369 -6.922 1.00 0.00 H new ATOM 0 HA LYS A 88 11.788 -17.429 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.567 -15.763 -5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.004 -14.748 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.510 -16.562 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.066 -17.583 -4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.818 -15.891 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.271 -14.894 -3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.759 -16.788 -1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.378 -17.721 -3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.147 -16.638 -1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.049 -16.017 -3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.450 -15.113 -2.181 1.00 0.00 H new ATOM 1381 N GLN A 89 10.981 -15.273 -2.794 1.00 0.00 N ATOM 1382 CA GLN A 89 10.232 -15.198 -1.535 1.00 0.00 C ATOM 1383 C GLN A 89 9.310 -13.983 -1.495 1.00 0.00 C ATOM 1384 O GLN A 89 8.689 -13.690 -0.480 1.00 0.00 O ATOM 1385 CB GLN A 89 11.160 -15.234 -0.286 1.00 0.00 C ATOM 1386 CG GLN A 89 11.970 -13.956 0.069 1.00 0.00 C ATOM 1387 CD GLN A 89 12.971 -13.507 -0.975 1.00 0.00 C ATOM 1388 OE1 GLN A 89 13.490 -14.292 -1.734 1.00 0.00 O ATOM 1389 NE2 GLN A 89 13.304 -12.257 -0.961 1.00 0.00 N ATOM 0 H GLN A 89 11.589 -14.476 -2.982 1.00 0.00 H new ATOM 0 HA GLN A 89 9.610 -16.092 -1.498 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.545 -15.488 0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.870 -16.050 -0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.269 -13.141 0.249 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.501 -14.132 1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.850 -11.616 -0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.020 -11.913 -1.601 1.00 0.00 H new ATOM 1398 N HIS A 90 9.183 -13.313 -2.605 1.00 0.00 N ATOM 1399 CA HIS A 90 8.369 -12.109 -2.671 1.00 0.00 C ATOM 1400 C HIS A 90 6.925 -12.484 -2.918 1.00 0.00 C ATOM 1401 O HIS A 90 6.517 -12.713 -4.056 1.00 0.00 O ATOM 1402 CB HIS A 90 8.841 -11.170 -3.772 1.00 0.00 C ATOM 1403 CG HIS A 90 10.299 -10.811 -3.713 1.00 0.00 C ATOM 1404 ND1 HIS A 90 11.131 -10.740 -4.814 1.00 0.00 N ATOM 1405 CD2 HIS A 90 11.062 -10.470 -2.656 1.00 0.00 C ATOM 1406 CE1 HIS A 90 12.336 -10.364 -4.402 1.00 0.00 C ATOM 1407 NE2 HIS A 90 12.354 -10.183 -3.092 1.00 0.00 N ATOM 0 H HIS A 90 9.630 -13.572 -3.485 1.00 0.00 H new ATOM 0 HA HIS A 90 8.466 -11.589 -1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.634 -11.632 -4.737 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.253 -10.253 -3.725 1.00 0.00 H new ATOM 0 HD1 HIS A 90 10.865 -10.942 -5.778 1.00 0.00 H new ATOM 0 HD2 HIS A 90 10.725 -10.426 -1.631 1.00 0.00 H new ATOM 0 HE1 HIS A 90 13.188 -10.225 -5.051 1.00 0.00 H new ATOM 1415 N THR A 91 6.182 -12.611 -1.860 1.00 0.00 N ATOM 1416 CA THR A 91 4.796 -13.028 -1.945 1.00 0.00 C ATOM 1417 C THR A 91 3.886 -12.129 -1.101 1.00 0.00 C ATOM 1418 O THR A 91 3.795 -12.293 0.101 1.00 0.00 O ATOM 1419 CB THR A 91 4.657 -14.494 -1.515 1.00 0.00 C ATOM 1420 OG1 THR A 91 5.691 -15.261 -2.158 1.00 0.00 O ATOM 1421 CG2 THR A 91 3.327 -15.032 -1.961 1.00 0.00 C ATOM 0 H THR A 91 6.509 -12.431 -0.911 1.00 0.00 H new ATOM 0 HA THR A 91 4.479 -12.933 -2.984 1.00 0.00 H new ATOM 0 HB THR A 91 4.738 -14.562 -0.430 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.615 -16.201 -1.891 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.234 -16.073 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.527 -14.447 -1.508 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.254 -14.967 -3.047 1.00 0.00 H new ATOM 1429 N PHE A 92 3.167 -11.248 -1.748 1.00 0.00 N ATOM 1430 CA PHE A 92 2.399 -10.225 -1.052 1.00 0.00 C ATOM 1431 C PHE A 92 1.070 -10.746 -0.564 1.00 0.00 C ATOM 1432 O PHE A 92 0.197 -11.074 -1.373 1.00 0.00 O ATOM 1433 CB PHE A 92 2.093 -9.044 -1.970 1.00 0.00 C ATOM 1434 CG PHE A 92 3.267 -8.432 -2.642 1.00 0.00 C ATOM 1435 CD1 PHE A 92 4.176 -7.680 -1.933 1.00 0.00 C ATOM 1436 CD2 PHE A 92 3.443 -8.587 -4.000 1.00 0.00 C ATOM 1437 CE1 PHE A 92 5.250 -7.101 -2.577 1.00 0.00 C ATOM 1438 CE2 PHE A 92 4.502 -8.018 -4.641 1.00 0.00 C ATOM 1439 CZ PHE A 92 5.410 -7.273 -3.938 1.00 0.00 C ATOM 0 H PHE A 92 3.092 -11.212 -2.765 1.00 0.00 H new ATOM 0 HA PHE A 92 3.017 -9.919 -0.208 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.390 -9.374 -2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.589 -8.274 -1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.048 -7.543 -0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.730 -9.169 -4.565 1.00 0.00 H new ATOM 0 HE1 PHE A 92 5.964 -6.514 -2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.625 -8.155 -5.705 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.249 -6.821 -4.446 1.00 0.00 H new ATOM 1449 N ARG A 93 0.915 -10.843 0.739 1.00 0.00 N ATOM 1450 CA ARG A 93 -0.396 -11.139 1.312 1.00 0.00 C ATOM 1451 C ARG A 93 -1.139 -9.832 1.342 1.00 0.00 C ATOM 1452 O ARG A 93 -0.517 -8.793 1.603 1.00 0.00 O ATOM 1453 CB ARG A 93 -0.344 -11.732 2.742 1.00 0.00 C ATOM 1454 CG ARG A 93 0.284 -13.116 2.882 1.00 0.00 C ATOM 1455 CD ARG A 93 1.792 -13.106 2.716 1.00 0.00 C ATOM 1456 NE ARG A 93 2.357 -14.441 2.895 1.00 0.00 N ATOM 1457 CZ ARG A 93 3.518 -14.716 3.505 1.00 0.00 C ATOM 1458 NH1 ARG A 93 4.235 -13.751 4.075 1.00 0.00 N ATOM 1459 NH2 ARG A 93 3.932 -15.967 3.581 1.00 0.00 N ATOM 0 H ARG A 93 1.665 -10.724 1.420 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.880 -11.902 0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.208 -11.041 3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.362 -11.778 3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.035 -13.524 3.862 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.153 -13.783 2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.048 -12.731 1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.235 -12.422 3.440 1.00 0.00 H new ATOM 0 HE ARG A 93 1.824 -15.228 2.525 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.903 -12.787 4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.117 -13.975 4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.369 -16.716 3.177 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.815 -16.185 4.044 1.00 0.00 H new ATOM 1473 N VAL A 94 -2.418 -9.847 1.086 1.00 0.00 N ATOM 1474 CA VAL A 94 -3.138 -8.623 0.958 1.00 0.00 C ATOM 1475 C VAL A 94 -4.259 -8.515 1.981 1.00 0.00 C ATOM 1476 O VAL A 94 -5.042 -9.463 2.180 1.00 0.00 O ATOM 1477 CB VAL A 94 -3.701 -8.399 -0.496 1.00 0.00 C ATOM 1478 CG1 VAL A 94 -2.629 -8.504 -1.559 1.00 0.00 C ATOM 1479 CG2 VAL A 94 -4.870 -9.291 -0.849 1.00 0.00 C ATOM 0 H VAL A 94 -2.976 -10.692 0.963 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.415 -7.831 1.155 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.075 -7.375 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.073 -8.341 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.862 -7.751 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.178 -9.496 -1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.199 -9.075 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.565 -10.335 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.691 -9.107 -0.156 1.00 0.00 H new ATOM 1489 N ASN A 95 -4.297 -7.418 2.686 1.00 0.00 N ATOM 1490 CA ASN A 95 -5.419 -7.127 3.528 1.00 0.00 C ATOM 1491 C ASN A 95 -5.542 -5.626 3.635 1.00 0.00 C ATOM 1492 O ASN A 95 -4.678 -4.918 3.156 1.00 0.00 O ATOM 1493 CB ASN A 95 -5.370 -7.886 4.923 1.00 0.00 C ATOM 1494 CG ASN A 95 -5.104 -7.041 6.177 1.00 0.00 C ATOM 1495 OD1 ASN A 95 -4.168 -6.153 6.128 1.00 0.00 O flip ATOM 1496 ND2 ASN A 95 -5.693 -7.297 7.225 1.00 0.00 N flip ATOM 0 H ASN A 95 -3.562 -6.711 2.693 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.332 -7.517 3.078 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.320 -8.402 5.060 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.597 -8.652 4.863 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.429 -8.003 7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.446 -6.803 8.083 1.00 0.00 H new