USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 GLN :FLIP amide:sc= -0.788 F(o=-8.6!,f=-5.5) USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= -2.29! C(o=-6.3!,f=-5.5!) USER MOD Set 1.3: A 90 HIS : no HE2:sc= -2.47! C(o=-5.5!,f=-9!) USER MOD Single : A 16 SER OG : rot -54:sc= 0.407 USER MOD Single : A 22 ASN : amide:sc= 0.824 K(o=0.82,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 1.05 (180deg=0.99) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 1.31 (180deg=1.22) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 80:sc= 1.22 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 50 ASN : amide:sc= 0.807 K(o=0.81,f=-1.8) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 28:sc= -1.12 USER MOD Single : A 61 LYS NZ :NH3+ -135:sc= 1.08 (180deg=-4.87!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -179:sc= -0.828! USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -10.8! C(o=-11!,f=-14!) USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= -0.0115 (180deg=-0.167) USER MOD Single : A 80 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 84 TYR OH : rot 24:sc= -0.123 USER MOD Single : A 85 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.045) USER MOD Single : A 88 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0238) USER MOD Single : A 91 THR OG1 : rot 180:sc=-0.00335 USER MOD Single : A 95 ASN :FLIP amide:sc= 0 F(o=-2.4,f=0) USER MOD ----------------------------------------------------------------- ATOM 209 N ASP A 15 -11.645 1.932 1.776 1.00 0.00 N ATOM 210 CA ASP A 15 -10.800 0.979 1.139 1.00 0.00 C ATOM 211 C ASP A 15 -9.986 1.700 0.091 1.00 0.00 C ATOM 212 O ASP A 15 -10.200 1.587 -1.116 1.00 0.00 O ATOM 213 CB ASP A 15 -11.569 -0.185 0.547 1.00 0.00 C ATOM 214 CG ASP A 15 -10.632 -1.193 -0.023 1.00 0.00 C ATOM 215 OD1 ASP A 15 -9.934 -1.850 0.769 1.00 0.00 O ATOM 216 OD2 ASP A 15 -10.569 -1.326 -1.276 1.00 0.00 O ATOM 0 HA ASP A 15 -10.142 0.535 1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.188 -0.648 1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.243 0.174 -0.231 1.00 0.00 H new ATOM 221 N SER A 16 -9.202 2.611 0.578 1.00 0.00 N ATOM 222 CA SER A 16 -8.342 3.390 -0.266 1.00 0.00 C ATOM 223 C SER A 16 -6.853 3.156 0.028 1.00 0.00 C ATOM 224 O SER A 16 -6.008 3.903 -0.428 1.00 0.00 O ATOM 225 CB SER A 16 -8.727 4.860 -0.191 1.00 0.00 C ATOM 226 OG SER A 16 -10.098 5.020 -0.562 1.00 0.00 O ATOM 0 H SER A 16 -9.138 2.838 1.570 1.00 0.00 H new ATOM 0 HA SER A 16 -8.487 3.054 -1.293 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.568 5.236 0.820 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.090 5.447 -0.853 1.00 0.00 H new ATOM 0 HG SER A 16 -10.248 4.618 -1.443 1.00 0.00 H new ATOM 232 N VAL A 17 -6.531 2.110 0.763 1.00 0.00 N ATOM 233 CA VAL A 17 -5.126 1.824 1.085 1.00 0.00 C ATOM 234 C VAL A 17 -4.847 0.323 0.961 1.00 0.00 C ATOM 235 O VAL A 17 -5.615 -0.492 1.455 1.00 0.00 O ATOM 236 CB VAL A 17 -4.721 2.316 2.528 1.00 0.00 C ATOM 237 CG1 VAL A 17 -3.259 2.009 2.834 1.00 0.00 C ATOM 238 CG2 VAL A 17 -4.985 3.809 2.718 1.00 0.00 C ATOM 0 H VAL A 17 -7.203 1.447 1.149 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.521 2.377 0.366 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.349 1.765 3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.015 2.362 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.094 0.933 2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.622 2.512 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.692 4.105 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.406 4.377 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.046 4.012 2.575 1.00 0.00 H new ATOM 248 N ILE A 18 -3.770 -0.026 0.273 1.00 0.00 N ATOM 249 CA ILE A 18 -3.366 -1.422 0.140 1.00 0.00 C ATOM 250 C ILE A 18 -2.467 -1.738 1.302 1.00 0.00 C ATOM 251 O ILE A 18 -1.569 -0.954 1.624 1.00 0.00 O ATOM 252 CB ILE A 18 -2.492 -1.707 -1.115 1.00 0.00 C ATOM 253 CG1 ILE A 18 -3.016 -1.032 -2.369 1.00 0.00 C ATOM 254 CG2 ILE A 18 -2.357 -3.220 -1.347 1.00 0.00 C ATOM 255 CD1 ILE A 18 -4.299 -1.597 -2.918 1.00 0.00 C ATOM 0 H ILE A 18 -3.158 0.637 -0.203 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.284 -2.007 0.080 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.510 -1.280 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.167 0.026 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.250 -1.095 -3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.742 -3.399 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.888 -3.681 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.345 -3.654 -1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.586 -1.045 -3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.155 -2.648 -3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.086 -1.508 -2.169 1.00 0.00 H new ATOM 267 N VAL A 19 -2.691 -2.842 1.889 1.00 0.00 N ATOM 268 CA VAL A 19 -1.861 -3.353 2.951 1.00 0.00 C ATOM 269 C VAL A 19 -1.122 -4.552 2.397 1.00 0.00 C ATOM 270 O VAL A 19 -1.749 -5.504 1.927 1.00 0.00 O ATOM 271 CB VAL A 19 -2.701 -3.785 4.168 1.00 0.00 C ATOM 272 CG1 VAL A 19 -1.824 -4.364 5.274 1.00 0.00 C ATOM 273 CG2 VAL A 19 -3.546 -2.630 4.687 1.00 0.00 C ATOM 0 H VAL A 19 -3.475 -3.450 1.653 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.176 -2.576 3.290 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.377 -4.574 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.449 -4.658 6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.290 -5.236 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.106 -3.612 5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.129 -2.963 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.895 -1.809 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.220 -2.290 3.901 1.00 0.00 H new ATOM 283 N VAL A 20 0.179 -4.497 2.427 1.00 0.00 N ATOM 284 CA VAL A 20 1.013 -5.527 1.826 1.00 0.00 C ATOM 285 C VAL A 20 1.938 -6.175 2.849 1.00 0.00 C ATOM 286 O VAL A 20 2.583 -5.485 3.627 1.00 0.00 O ATOM 287 CB VAL A 20 1.876 -4.927 0.689 1.00 0.00 C ATOM 288 CG1 VAL A 20 2.784 -5.963 0.085 1.00 0.00 C ATOM 289 CG2 VAL A 20 1.013 -4.287 -0.374 1.00 0.00 C ATOM 0 H VAL A 20 0.703 -3.740 2.867 1.00 0.00 H new ATOM 0 HA VAL A 20 0.341 -6.288 1.428 1.00 0.00 H new ATOM 0 HB VAL A 20 2.500 -4.150 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.376 -5.509 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.449 -6.356 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.186 -6.776 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.648 -3.875 -1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.347 -5.036 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.421 -3.487 0.071 1.00 0.00 H new ATOM 299 N ASP A 21 1.984 -7.491 2.818 1.00 0.00 N ATOM 300 CA ASP A 21 2.873 -8.296 3.655 1.00 0.00 C ATOM 301 C ASP A 21 4.075 -8.749 2.833 1.00 0.00 C ATOM 302 O ASP A 21 3.909 -9.136 1.667 1.00 0.00 O ATOM 303 CB ASP A 21 2.122 -9.520 4.187 1.00 0.00 C ATOM 304 CG ASP A 21 2.984 -10.464 5.000 1.00 0.00 C ATOM 305 OD1 ASP A 21 3.322 -10.142 6.141 1.00 0.00 O ATOM 306 OD2 ASP A 21 3.312 -11.558 4.524 1.00 0.00 O ATOM 0 H ASP A 21 1.395 -8.050 2.200 1.00 0.00 H new ATOM 0 HA ASP A 21 3.215 -7.694 4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.289 -9.183 4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.696 -10.066 3.346 1.00 0.00 H new ATOM 311 N ASN A 22 5.259 -8.671 3.457 1.00 0.00 N ATOM 312 CA ASN A 22 6.595 -9.013 2.895 1.00 0.00 C ATOM 313 C ASN A 22 6.900 -8.480 1.499 1.00 0.00 C ATOM 314 O ASN A 22 6.444 -8.993 0.471 1.00 0.00 O ATOM 315 CB ASN A 22 7.108 -10.480 3.119 1.00 0.00 C ATOM 316 CG ASN A 22 6.294 -11.622 2.509 1.00 0.00 C ATOM 317 OD1 ASN A 22 6.327 -12.744 3.007 1.00 0.00 O ATOM 318 ND2 ASN A 22 5.605 -11.381 1.451 1.00 0.00 N ATOM 0 H ASN A 22 5.325 -8.350 4.423 1.00 0.00 H new ATOM 0 HA ASN A 22 7.218 -8.415 3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.122 -10.544 2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.173 -10.652 4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.071 -12.129 1.008 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.592 -10.441 1.054 1.00 0.00 H new ATOM 325 N VAL A 23 7.700 -7.470 1.483 1.00 0.00 N ATOM 326 CA VAL A 23 8.106 -6.801 0.287 1.00 0.00 C ATOM 327 C VAL A 23 9.582 -7.100 0.012 1.00 0.00 C ATOM 328 O VAL A 23 10.222 -7.784 0.831 1.00 0.00 O ATOM 329 CB VAL A 23 7.875 -5.273 0.444 1.00 0.00 C ATOM 330 CG1 VAL A 23 6.398 -4.986 0.479 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.532 -4.756 1.722 1.00 0.00 C ATOM 0 H VAL A 23 8.106 -7.071 2.329 1.00 0.00 H new ATOM 0 HA VAL A 23 7.515 -7.157 -0.557 1.00 0.00 H new ATOM 0 HB VAL A 23 8.326 -4.763 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.238 -3.913 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.939 -5.328 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.946 -5.509 1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.358 -3.684 1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.103 -5.267 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.604 -4.948 1.683 1.00 0.00 H new ATOM 341 N PRO A 24 10.117 -6.682 -1.179 1.00 0.00 N ATOM 342 CA PRO A 24 11.543 -6.773 -1.495 1.00 0.00 C ATOM 343 C PRO A 24 12.413 -6.365 -0.322 1.00 0.00 C ATOM 344 O PRO A 24 12.166 -5.342 0.343 1.00 0.00 O ATOM 345 CB PRO A 24 11.717 -5.780 -2.641 1.00 0.00 C ATOM 346 CG PRO A 24 10.393 -5.736 -3.330 1.00 0.00 C ATOM 347 CD PRO A 24 9.351 -6.197 -2.338 1.00 0.00 C ATOM 0 HA PRO A 24 11.841 -7.792 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.999 -4.795 -2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.505 -6.101 -3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.174 -4.726 -3.675 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.397 -6.380 -4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.685 -5.381 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.728 -6.987 -2.758 1.00 0.00 H new ATOM 355 N GLN A 25 13.404 -7.169 -0.051 1.00 0.00 N ATOM 356 CA GLN A 25 14.258 -6.928 1.054 1.00 0.00 C ATOM 357 C GLN A 25 15.190 -5.773 0.727 1.00 0.00 C ATOM 358 O GLN A 25 15.504 -5.510 -0.459 1.00 0.00 O ATOM 359 CB GLN A 25 15.005 -8.197 1.492 1.00 0.00 C ATOM 360 CG GLN A 25 16.123 -8.648 0.581 1.00 0.00 C ATOM 361 CD GLN A 25 15.662 -9.124 -0.796 1.00 0.00 C ATOM 362 OE1 GLN A 25 14.508 -9.754 -0.866 1.00 0.00 O flip ATOM 363 NE2 GLN A 25 16.364 -8.968 -1.773 1.00 0.00 N flip ATOM 0 H GLN A 25 13.633 -8.002 -0.593 1.00 0.00 H new ATOM 0 HA GLN A 25 13.655 -6.641 1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.418 -8.028 2.487 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.283 -9.009 1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 25 16.824 -7.824 0.451 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.668 -9.457 1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 25 17.253 -8.476 -1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 25 16.065 -9.329 -2.679 1.00 0.00 H new ATOM 372 N VAL A 26 15.668 -5.123 1.731 1.00 0.00 N ATOM 373 CA VAL A 26 16.333 -3.868 1.515 1.00 0.00 C ATOM 374 C VAL A 26 17.739 -3.929 2.078 1.00 0.00 C ATOM 375 O VAL A 26 18.097 -4.862 2.804 1.00 0.00 O ATOM 376 CB VAL A 26 15.521 -2.636 2.129 1.00 0.00 C ATOM 377 CG1 VAL A 26 15.889 -1.310 1.495 1.00 0.00 C ATOM 378 CG2 VAL A 26 14.015 -2.855 2.078 1.00 0.00 C ATOM 0 H VAL A 26 15.616 -5.428 2.703 1.00 0.00 H new ATOM 0 HA VAL A 26 16.384 -3.698 0.440 1.00 0.00 H new ATOM 0 HB VAL A 26 15.819 -2.586 3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.304 -0.513 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 26 16.951 -1.116 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.677 -1.346 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.507 -1.991 2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.701 -2.984 1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.758 -3.747 2.649 1.00 0.00 H new ATOM 388 N GLY A 27 18.502 -2.980 1.687 1.00 0.00 N ATOM 389 CA GLY A 27 19.846 -2.795 2.057 1.00 0.00 C ATOM 390 C GLY A 27 20.152 -1.412 1.624 1.00 0.00 C ATOM 391 O GLY A 27 19.200 -0.715 1.222 1.00 0.00 O ATOM 0 H GLY A 27 18.173 -2.256 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 27 19.984 -2.916 3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 27 20.498 -3.519 1.568 1.00 0.00 H new ATOM 395 N PRO A 28 21.400 -0.957 1.628 1.00 0.00 N ATOM 396 CA PRO A 28 21.702 0.407 1.224 1.00 0.00 C ATOM 397 C PRO A 28 21.215 0.706 -0.205 1.00 0.00 C ATOM 398 O PRO A 28 21.532 -0.017 -1.165 1.00 0.00 O ATOM 399 CB PRO A 28 23.237 0.486 1.308 1.00 0.00 C ATOM 400 CG PRO A 28 23.707 -0.932 1.390 1.00 0.00 C ATOM 401 CD PRO A 28 22.596 -1.705 2.032 1.00 0.00 C ATOM 0 HA PRO A 28 21.201 1.140 1.856 1.00 0.00 H new ATOM 0 HB2 PRO A 28 23.652 0.987 0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 28 23.553 1.055 2.182 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.932 -1.325 0.399 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.622 -1.005 1.978 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.566 -2.736 1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 28 22.703 -1.741 3.116 1.00 0.00 H new ATOM 409 N ASP A 29 20.408 1.755 -0.301 1.00 0.00 N ATOM 410 CA ASP A 29 19.828 2.305 -1.550 1.00 0.00 C ATOM 411 C ASP A 29 18.975 1.283 -2.329 1.00 0.00 C ATOM 412 O ASP A 29 18.625 1.491 -3.484 1.00 0.00 O ATOM 413 CB ASP A 29 20.913 2.955 -2.433 1.00 0.00 C ATOM 414 CG ASP A 29 20.358 3.840 -3.545 1.00 0.00 C ATOM 415 OD1 ASP A 29 19.991 5.012 -3.257 1.00 0.00 O ATOM 416 OD2 ASP A 29 20.330 3.411 -4.728 1.00 0.00 O ATOM 0 H ASP A 29 20.117 2.281 0.523 1.00 0.00 H new ATOM 0 HA ASP A 29 19.134 3.090 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.572 3.552 -1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 29 21.524 2.170 -2.878 1.00 0.00 H new ATOM 421 N ARG A 30 18.558 0.220 -1.675 1.00 0.00 N ATOM 422 CA ARG A 30 17.723 -0.755 -2.358 1.00 0.00 C ATOM 423 C ARG A 30 16.307 -0.264 -2.410 1.00 0.00 C ATOM 424 O ARG A 30 15.562 -0.567 -3.334 1.00 0.00 O ATOM 425 CB ARG A 30 17.784 -2.144 -1.725 1.00 0.00 C ATOM 426 CG ARG A 30 19.102 -2.860 -1.932 1.00 0.00 C ATOM 427 CD ARG A 30 19.067 -4.282 -1.375 1.00 0.00 C ATOM 428 NE ARG A 30 17.974 -5.085 -1.955 1.00 0.00 N ATOM 429 CZ ARG A 30 18.090 -5.902 -3.022 1.00 0.00 C ATOM 430 NH1 ARG A 30 19.229 -5.964 -3.716 1.00 0.00 N ATOM 431 NH2 ARG A 30 17.058 -6.636 -3.394 1.00 0.00 N ATOM 0 H ARG A 30 18.773 0.008 -0.701 1.00 0.00 H new ATOM 0 HA ARG A 30 18.116 -0.861 -3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.597 -2.053 -0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.982 -2.755 -2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.335 -2.892 -2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 30 19.901 -2.299 -1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 30 20.020 -4.772 -1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.950 -4.243 -0.292 1.00 0.00 H new ATOM 0 HE ARG A 30 17.057 -5.017 -1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.025 -5.389 -3.441 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.303 -6.586 -4.521 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.181 -6.583 -2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.137 -7.256 -4.200 1.00 0.00 H new ATOM 445 N LEU A 31 15.961 0.555 -1.446 1.00 0.00 N ATOM 446 CA LEU A 31 14.625 1.070 -1.344 1.00 0.00 C ATOM 447 C LEU A 31 14.317 2.066 -2.480 1.00 0.00 C ATOM 448 O LEU A 31 13.177 2.163 -2.920 1.00 0.00 O ATOM 449 CB LEU A 31 14.400 1.642 0.079 1.00 0.00 C ATOM 450 CG LEU A 31 13.009 2.160 0.484 1.00 0.00 C ATOM 451 CD1 LEU A 31 12.832 3.596 0.099 1.00 0.00 C ATOM 452 CD2 LEU A 31 11.907 1.345 -0.156 1.00 0.00 C ATOM 0 H LEU A 31 16.596 0.879 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 31 13.905 0.263 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.677 0.863 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.105 2.462 0.215 1.00 0.00 H new ATOM 0 HG LEU A 31 12.943 2.064 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.840 3.933 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.587 4.202 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.940 3.699 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.938 1.738 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.994 1.403 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.993 0.305 0.160 1.00 0.00 H new ATOM 464 N GLU A 32 15.341 2.730 -3.001 1.00 0.00 N ATOM 465 CA GLU A 32 15.151 3.718 -4.065 1.00 0.00 C ATOM 466 C GLU A 32 14.545 3.067 -5.323 1.00 0.00 C ATOM 467 O GLU A 32 13.645 3.624 -5.953 1.00 0.00 O ATOM 468 CB GLU A 32 16.472 4.406 -4.416 1.00 0.00 C ATOM 469 CG GLU A 32 16.303 5.631 -5.307 1.00 0.00 C ATOM 470 CD GLU A 32 15.526 6.732 -4.615 1.00 0.00 C ATOM 471 OE1 GLU A 32 16.149 7.554 -3.916 1.00 0.00 O ATOM 472 OE2 GLU A 32 14.287 6.784 -4.723 1.00 0.00 O ATOM 0 H GLU A 32 16.310 2.606 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 32 14.455 4.470 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 32 16.973 4.703 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.123 3.690 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.284 6.007 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.788 5.344 -6.224 1.00 0.00 H new ATOM 479 N LYS A 33 15.004 1.878 -5.654 1.00 0.00 N ATOM 480 CA LYS A 33 14.487 1.182 -6.824 1.00 0.00 C ATOM 481 C LYS A 33 13.323 0.275 -6.465 1.00 0.00 C ATOM 482 O LYS A 33 12.557 -0.171 -7.341 1.00 0.00 O ATOM 483 CB LYS A 33 15.567 0.431 -7.642 1.00 0.00 C ATOM 484 CG LYS A 33 16.510 -0.517 -6.876 1.00 0.00 C ATOM 485 CD LYS A 33 17.694 0.205 -6.194 1.00 0.00 C ATOM 486 CE LYS A 33 18.535 0.991 -7.201 1.00 0.00 C ATOM 487 NZ LYS A 33 19.786 1.541 -6.626 1.00 0.00 N ATOM 0 H LYS A 33 15.726 1.374 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 33 14.117 1.964 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.061 -0.149 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.179 1.174 -8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.937 -1.052 -6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.900 -1.264 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.315 0.883 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.323 -0.527 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.785 0.341 -8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.937 1.810 -7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.355 1.973 -7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.553 2.262 -5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.329 0.775 -6.179 1.00 0.00 H new ATOM 501 N LEU A 34 13.162 0.044 -5.178 1.00 0.00 N ATOM 502 CA LEU A 34 12.075 -0.762 -4.658 1.00 0.00 C ATOM 503 C LEU A 34 10.775 0.000 -4.892 1.00 0.00 C ATOM 504 O LEU A 34 9.774 -0.572 -5.284 1.00 0.00 O ATOM 505 CB LEU A 34 12.333 -1.051 -3.155 1.00 0.00 C ATOM 506 CG LEU A 34 11.400 -2.019 -2.392 1.00 0.00 C ATOM 507 CD1 LEU A 34 12.079 -2.445 -1.108 1.00 0.00 C ATOM 508 CD2 LEU A 34 10.072 -1.366 -2.034 1.00 0.00 C ATOM 0 H LEU A 34 13.785 0.412 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 34 12.005 -1.725 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.348 -1.439 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.311 -0.096 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 34 11.202 -2.871 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.429 -3.128 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 34 13.018 -2.947 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.280 -1.567 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.447 -2.081 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.253 -0.497 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.564 -1.051 -2.946 1.00 0.00 H new ATOM 520 N LYS A 35 10.848 1.318 -4.732 1.00 0.00 N ATOM 521 CA LYS A 35 9.705 2.227 -4.943 1.00 0.00 C ATOM 522 C LYS A 35 9.154 2.097 -6.356 1.00 0.00 C ATOM 523 O LYS A 35 7.976 2.352 -6.608 1.00 0.00 O ATOM 524 CB LYS A 35 10.156 3.674 -4.809 1.00 0.00 C ATOM 525 CG LYS A 35 10.836 4.052 -3.529 1.00 0.00 C ATOM 526 CD LYS A 35 11.385 5.452 -3.655 1.00 0.00 C ATOM 527 CE LYS A 35 12.110 5.879 -2.419 1.00 0.00 C ATOM 528 NZ LYS A 35 12.706 7.209 -2.576 1.00 0.00 N ATOM 0 H LYS A 35 11.703 1.797 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 35 8.951 1.962 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.834 3.896 -5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.283 4.315 -4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.132 3.998 -2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.641 3.351 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.061 5.501 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.568 6.146 -3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.420 5.886 -1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.891 5.155 -2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.022 7.559 -1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.520 7.151 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.999 7.862 -2.970 1.00 0.00 H new ATOM 542 N ASN A 36 10.003 1.675 -7.263 1.00 0.00 N ATOM 543 CA ASN A 36 9.665 1.671 -8.652 1.00 0.00 C ATOM 544 C ASN A 36 8.863 0.468 -8.979 1.00 0.00 C ATOM 545 O ASN A 36 7.825 0.572 -9.611 1.00 0.00 O ATOM 546 CB ASN A 36 10.918 1.751 -9.527 1.00 0.00 C ATOM 547 CG ASN A 36 10.605 1.791 -11.012 1.00 0.00 C ATOM 548 OD1 ASN A 36 10.531 0.757 -11.682 1.00 0.00 O ATOM 549 ND2 ASN A 36 10.447 2.967 -11.537 1.00 0.00 N ATOM 0 H ASN A 36 10.939 1.329 -7.053 1.00 0.00 H new ATOM 0 HA ASN A 36 9.064 2.556 -8.862 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.486 2.641 -9.257 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.555 0.891 -9.319 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.255 3.059 -12.535 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.515 3.800 -10.952 1.00 0.00 H new ATOM 556 N VAL A 37 9.294 -0.664 -8.473 1.00 0.00 N ATOM 557 CA VAL A 37 8.624 -1.904 -8.769 1.00 0.00 C ATOM 558 C VAL A 37 7.232 -1.908 -8.127 1.00 0.00 C ATOM 559 O VAL A 37 6.268 -2.411 -8.702 1.00 0.00 O ATOM 560 CB VAL A 37 9.475 -3.152 -8.356 1.00 0.00 C ATOM 561 CG1 VAL A 37 9.715 -3.247 -6.859 1.00 0.00 C ATOM 562 CG2 VAL A 37 8.860 -4.418 -8.885 1.00 0.00 C ATOM 0 H VAL A 37 10.102 -0.750 -7.857 1.00 0.00 H new ATOM 0 HA VAL A 37 8.502 -1.979 -9.850 1.00 0.00 H new ATOM 0 HB VAL A 37 10.456 -3.019 -8.813 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.310 -4.134 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.248 -2.359 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.759 -3.316 -6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.469 -5.271 -8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.854 -4.530 -8.481 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.811 -4.372 -9.973 1.00 0.00 H new ATOM 572 N ILE A 38 7.131 -1.249 -6.984 1.00 0.00 N ATOM 573 CA ILE A 38 5.879 -1.119 -6.275 1.00 0.00 C ATOM 574 C ILE A 38 4.926 -0.246 -7.083 1.00 0.00 C ATOM 575 O ILE A 38 3.799 -0.644 -7.385 1.00 0.00 O ATOM 576 CB ILE A 38 6.098 -0.465 -4.888 1.00 0.00 C ATOM 577 CG1 ILE A 38 7.086 -1.255 -4.034 1.00 0.00 C ATOM 578 CG2 ILE A 38 4.797 -0.281 -4.151 1.00 0.00 C ATOM 579 CD1 ILE A 38 6.778 -2.734 -3.923 1.00 0.00 C ATOM 0 H ILE A 38 7.918 -0.791 -6.525 1.00 0.00 H new ATOM 0 HA ILE A 38 5.458 -2.115 -6.137 1.00 0.00 H new ATOM 0 HB ILE A 38 6.528 0.519 -5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.085 -1.135 -4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.106 -0.825 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.990 0.180 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.136 0.361 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.322 -1.251 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.530 -3.216 -3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.794 -2.868 -3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.788 -3.183 -4.916 1.00 0.00 H new ATOM 591 N HIS A 39 5.413 0.931 -7.456 1.00 0.00 N ATOM 592 CA HIS A 39 4.642 1.905 -8.212 1.00 0.00 C ATOM 593 C HIS A 39 4.122 1.287 -9.514 1.00 0.00 C ATOM 594 O HIS A 39 2.990 1.523 -9.905 1.00 0.00 O ATOM 595 CB HIS A 39 5.511 3.148 -8.510 1.00 0.00 C ATOM 596 CG HIS A 39 4.766 4.310 -9.108 1.00 0.00 C ATOM 597 ND1 HIS A 39 4.954 4.780 -10.391 1.00 0.00 N ATOM 598 CD2 HIS A 39 3.828 5.116 -8.551 1.00 0.00 C ATOM 599 CE1 HIS A 39 4.144 5.826 -10.573 1.00 0.00 C ATOM 600 NE2 HIS A 39 3.433 6.076 -9.479 1.00 0.00 N ATOM 0 H HIS A 39 6.362 1.237 -7.240 1.00 0.00 H new ATOM 0 HA HIS A 39 3.783 2.212 -7.616 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.982 3.475 -7.583 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.312 2.859 -9.190 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.447 5.027 -7.544 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.076 6.394 -11.489 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.743 6.815 -9.347 1.00 0.00 H new ATOM 608 N LYS A 40 4.937 0.464 -10.142 1.00 0.00 N ATOM 609 CA LYS A 40 4.561 -0.177 -11.410 1.00 0.00 C ATOM 610 C LYS A 40 3.433 -1.163 -11.232 1.00 0.00 C ATOM 611 O LYS A 40 2.451 -1.131 -11.980 1.00 0.00 O ATOM 612 CB LYS A 40 5.753 -0.868 -12.058 1.00 0.00 C ATOM 613 CG LYS A 40 6.865 0.078 -12.430 1.00 0.00 C ATOM 614 CD LYS A 40 6.448 1.102 -13.489 1.00 0.00 C ATOM 615 CE LYS A 40 6.060 0.442 -14.810 1.00 0.00 C ATOM 616 NZ LYS A 40 5.654 1.432 -15.830 1.00 0.00 N ATOM 0 H LYS A 40 5.867 0.216 -9.804 1.00 0.00 H new ATOM 0 HA LYS A 40 4.216 0.620 -12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.142 -1.623 -11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.417 -1.392 -12.953 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.202 0.604 -11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.714 -0.496 -12.801 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.606 1.686 -13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.268 1.799 -13.660 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.902 -0.139 -15.185 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.242 -0.257 -14.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.399 0.939 -16.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.834 1.970 -15.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.443 2.084 -16.014 1.00 0.00 H new ATOM 630 N ILE A 41 3.560 -2.016 -10.244 1.00 0.00 N ATOM 631 CA ILE A 41 2.555 -3.026 -9.975 1.00 0.00 C ATOM 632 C ILE A 41 1.263 -2.382 -9.513 1.00 0.00 C ATOM 633 O ILE A 41 0.172 -2.704 -9.996 1.00 0.00 O ATOM 634 CB ILE A 41 3.028 -4.028 -8.880 1.00 0.00 C ATOM 635 CG1 ILE A 41 4.295 -4.778 -9.313 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.922 -5.016 -8.522 1.00 0.00 C ATOM 637 CD1 ILE A 41 4.127 -5.580 -10.579 1.00 0.00 C ATOM 0 H ILE A 41 4.355 -2.033 -9.606 1.00 0.00 H new ATOM 0 HA ILE A 41 2.391 -3.568 -10.907 1.00 0.00 H new ATOM 0 HB ILE A 41 3.268 -3.444 -7.991 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.101 -4.058 -9.455 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.602 -5.447 -8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.282 -5.703 -7.756 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.056 -4.472 -8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.637 -5.580 -9.410 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.065 -6.081 -10.820 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.344 -6.325 -10.437 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.851 -4.915 -11.397 1.00 0.00 H new ATOM 649 N PHE A 42 1.385 -1.430 -8.643 1.00 0.00 N ATOM 650 CA PHE A 42 0.219 -0.898 -8.016 1.00 0.00 C ATOM 651 C PHE A 42 -0.499 0.177 -8.817 1.00 0.00 C ATOM 652 O PHE A 42 -1.622 0.549 -8.493 1.00 0.00 O ATOM 653 CB PHE A 42 0.479 -0.498 -6.587 1.00 0.00 C ATOM 654 CG PHE A 42 0.716 -1.650 -5.665 1.00 0.00 C ATOM 655 CD1 PHE A 42 -0.330 -2.463 -5.269 1.00 0.00 C ATOM 656 CD2 PHE A 42 1.965 -1.894 -5.167 1.00 0.00 C ATOM 657 CE1 PHE A 42 -0.119 -3.498 -4.386 1.00 0.00 C ATOM 658 CE2 PHE A 42 2.190 -2.921 -4.289 1.00 0.00 C ATOM 659 CZ PHE A 42 1.146 -3.724 -3.890 1.00 0.00 C ATOM 0 H PHE A 42 2.268 -1.010 -8.354 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.493 -1.723 -7.992 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.346 0.162 -6.558 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.372 0.077 -6.221 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.322 -2.284 -5.656 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.789 -1.266 -5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.941 -4.130 -4.084 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.185 -3.100 -3.910 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.318 -4.529 -3.190 1.00 0.00 H new ATOM 669 N SER A 43 0.100 0.654 -9.882 1.00 0.00 N ATOM 670 CA SER A 43 -0.588 1.580 -10.753 1.00 0.00 C ATOM 671 C SER A 43 -1.683 0.870 -11.574 1.00 0.00 C ATOM 672 O SER A 43 -2.423 1.500 -12.327 1.00 0.00 O ATOM 673 CB SER A 43 0.391 2.326 -11.645 1.00 0.00 C ATOM 674 OG SER A 43 1.217 3.187 -10.871 1.00 0.00 O ATOM 0 H SER A 43 1.052 0.420 -10.165 1.00 0.00 H new ATOM 0 HA SER A 43 -1.085 2.320 -10.126 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.010 1.614 -12.191 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.156 2.908 -12.387 1.00 0.00 H new ATOM 0 HG SER A 43 1.931 2.664 -10.450 1.00 0.00 H new ATOM 680 N LYS A 44 -1.786 -0.446 -11.415 1.00 0.00 N ATOM 681 CA LYS A 44 -2.845 -1.205 -12.049 1.00 0.00 C ATOM 682 C LYS A 44 -4.135 -1.071 -11.247 1.00 0.00 C ATOM 683 O LYS A 44 -5.223 -1.273 -11.762 1.00 0.00 O ATOM 684 CB LYS A 44 -2.485 -2.681 -12.120 1.00 0.00 C ATOM 685 CG LYS A 44 -1.241 -3.015 -12.928 1.00 0.00 C ATOM 686 CD LYS A 44 -0.973 -4.516 -12.903 1.00 0.00 C ATOM 687 CE LYS A 44 -2.137 -5.297 -13.497 1.00 0.00 C ATOM 688 NZ LYS A 44 -1.925 -6.751 -13.434 1.00 0.00 N ATOM 0 H LYS A 44 -1.145 -1.004 -10.851 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.979 -0.811 -13.056 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.348 -3.052 -11.105 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.330 -3.223 -12.546 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.368 -2.680 -13.957 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.382 -2.480 -12.522 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.063 -4.734 -13.462 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.802 -4.840 -11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.052 -5.042 -12.963 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.280 -4.998 -14.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.743 -7.240 -13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.066 -7.000 -13.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.815 -7.043 -12.442 1.00 0.00 H new ATOM 702 N PHE A 45 -4.005 -0.724 -9.983 1.00 0.00 N ATOM 703 CA PHE A 45 -5.159 -0.630 -9.099 1.00 0.00 C ATOM 704 C PHE A 45 -5.655 0.798 -8.976 1.00 0.00 C ATOM 705 O PHE A 45 -6.616 1.071 -8.258 1.00 0.00 O ATOM 706 CB PHE A 45 -4.839 -1.211 -7.717 1.00 0.00 C ATOM 707 CG PHE A 45 -4.450 -2.663 -7.757 1.00 0.00 C ATOM 708 CD1 PHE A 45 -5.416 -3.649 -7.862 1.00 0.00 C ATOM 709 CD2 PHE A 45 -3.119 -3.039 -7.701 1.00 0.00 C ATOM 710 CE1 PHE A 45 -5.061 -4.982 -7.910 1.00 0.00 C ATOM 711 CE2 PHE A 45 -2.756 -4.371 -7.749 1.00 0.00 C ATOM 712 CZ PHE A 45 -3.728 -5.344 -7.853 1.00 0.00 C ATOM 0 H PHE A 45 -3.113 -0.501 -9.540 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.959 -1.221 -9.545 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.028 -0.637 -7.268 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.709 -1.093 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.459 -3.372 -7.907 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.354 -2.281 -7.619 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.824 -5.742 -7.992 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.714 -4.650 -7.705 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.448 -6.387 -7.890 1.00 0.00 H new ATOM 722 N GLY A 46 -5.022 1.691 -9.678 1.00 0.00 N ATOM 723 CA GLY A 46 -5.402 3.066 -9.636 1.00 0.00 C ATOM 724 C GLY A 46 -4.191 3.935 -9.614 1.00 0.00 C ATOM 725 O GLY A 46 -3.132 3.541 -10.123 1.00 0.00 O ATOM 0 H GLY A 46 -4.233 1.486 -10.291 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.016 3.308 -10.504 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.011 3.256 -8.752 1.00 0.00 H new ATOM 729 N LYS A 47 -4.310 5.085 -9.033 1.00 0.00 N ATOM 730 CA LYS A 47 -3.207 5.990 -8.957 1.00 0.00 C ATOM 731 C LYS A 47 -2.650 5.984 -7.563 1.00 0.00 C ATOM 732 O LYS A 47 -3.393 6.198 -6.591 1.00 0.00 O ATOM 733 CB LYS A 47 -3.654 7.399 -9.344 1.00 0.00 C ATOM 734 CG LYS A 47 -2.558 8.445 -9.306 1.00 0.00 C ATOM 735 CD LYS A 47 -3.092 9.785 -9.751 1.00 0.00 C ATOM 736 CE LYS A 47 -2.019 10.846 -9.717 1.00 0.00 C ATOM 737 NZ LYS A 47 -2.529 12.140 -10.203 1.00 0.00 N ATOM 0 H LYS A 47 -5.169 5.423 -8.600 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.431 5.671 -9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.074 7.369 -10.350 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.456 7.708 -8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.157 8.524 -8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.735 8.142 -9.953 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.491 9.702 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.919 10.081 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.648 10.958 -8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.175 10.532 -10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.768 12.848 -10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.860 12.037 -11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.319 12.450 -9.602 1.00 0.00 H new ATOM 751 N ILE A 48 -1.356 5.784 -7.451 1.00 0.00 N ATOM 752 CA ILE A 48 -0.709 5.797 -6.181 1.00 0.00 C ATOM 753 C ILE A 48 -0.670 7.245 -5.752 1.00 0.00 C ATOM 754 O ILE A 48 0.078 8.061 -6.292 1.00 0.00 O ATOM 755 CB ILE A 48 0.741 5.284 -6.295 1.00 0.00 C ATOM 756 CG1 ILE A 48 0.819 3.895 -6.928 1.00 0.00 C ATOM 757 CG2 ILE A 48 1.468 5.315 -4.948 1.00 0.00 C ATOM 758 CD1 ILE A 48 0.079 2.849 -6.188 1.00 0.00 C ATOM 0 H ILE A 48 -0.735 5.609 -8.241 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.240 5.158 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 48 1.255 5.974 -6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.430 3.949 -7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.866 3.600 -7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.485 4.945 -5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.498 6.338 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.939 4.683 -4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.185 1.894 -6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.482 2.763 -5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.976 3.118 -6.136 1.00 0.00 H new ATOM 770 N THR A 49 -1.527 7.557 -4.843 1.00 0.00 N ATOM 771 CA THR A 49 -1.722 8.887 -4.389 1.00 0.00 C ATOM 772 C THR A 49 -0.621 9.243 -3.389 1.00 0.00 C ATOM 773 O THR A 49 -0.021 10.321 -3.446 1.00 0.00 O ATOM 774 CB THR A 49 -3.126 8.963 -3.763 1.00 0.00 C ATOM 775 OG1 THR A 49 -4.085 8.461 -4.737 1.00 0.00 O ATOM 776 CG2 THR A 49 -3.496 10.379 -3.383 1.00 0.00 C ATOM 0 H THR A 49 -2.128 6.873 -4.383 1.00 0.00 H new ATOM 0 HA THR A 49 -1.662 9.608 -5.204 1.00 0.00 H new ATOM 0 HB THR A 49 -3.136 8.364 -2.852 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.988 8.499 -4.357 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.494 10.389 -2.945 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.777 10.761 -2.658 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.484 11.009 -4.272 1.00 0.00 H new ATOM 784 N ASN A 50 -0.314 8.303 -2.542 1.00 0.00 N ATOM 785 CA ASN A 50 0.709 8.442 -1.546 1.00 0.00 C ATOM 786 C ASN A 50 1.169 7.045 -1.193 1.00 0.00 C ATOM 787 O ASN A 50 0.473 6.078 -1.498 1.00 0.00 O ATOM 788 CB ASN A 50 0.138 9.189 -0.329 1.00 0.00 C ATOM 789 CG ASN A 50 1.131 9.460 0.785 1.00 0.00 C ATOM 790 OD1 ASN A 50 2.349 9.574 0.571 1.00 0.00 O ATOM 791 ND2 ASN A 50 0.619 9.589 1.964 1.00 0.00 N ATOM 0 H ASN A 50 -0.780 7.396 -2.525 1.00 0.00 H new ATOM 0 HA ASN A 50 1.558 9.024 -1.905 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.274 10.140 -0.667 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.691 8.609 0.077 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.221 9.792 2.762 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.387 9.488 2.097 1.00 0.00 H new ATOM 798 N ASP A 51 2.308 6.914 -0.613 1.00 0.00 N ATOM 799 CA ASP A 51 2.837 5.615 -0.282 1.00 0.00 C ATOM 800 C ASP A 51 3.555 5.665 1.032 1.00 0.00 C ATOM 801 O ASP A 51 4.143 6.691 1.386 1.00 0.00 O ATOM 802 CB ASP A 51 3.746 5.055 -1.407 1.00 0.00 C ATOM 803 CG ASP A 51 4.893 5.972 -1.805 1.00 0.00 C ATOM 804 OD1 ASP A 51 5.949 5.970 -1.135 1.00 0.00 O ATOM 805 OD2 ASP A 51 4.750 6.722 -2.813 1.00 0.00 O ATOM 0 H ASP A 51 2.908 7.695 -0.350 1.00 0.00 H new ATOM 0 HA ASP A 51 1.998 4.926 -0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.157 4.099 -1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.134 4.857 -2.287 1.00 0.00 H new ATOM 810 N PHE A 52 3.454 4.592 1.779 1.00 0.00 N ATOM 811 CA PHE A 52 4.091 4.479 3.073 1.00 0.00 C ATOM 812 C PHE A 52 4.847 3.195 3.144 1.00 0.00 C ATOM 813 O PHE A 52 4.250 2.118 3.298 1.00 0.00 O ATOM 814 CB PHE A 52 3.073 4.504 4.221 1.00 0.00 C ATOM 815 CG PHE A 52 2.334 5.786 4.393 1.00 0.00 C ATOM 816 CD1 PHE A 52 2.859 6.790 5.182 1.00 0.00 C ATOM 817 CD2 PHE A 52 1.110 5.985 3.776 1.00 0.00 C ATOM 818 CE1 PHE A 52 2.181 7.972 5.356 1.00 0.00 C ATOM 819 CE2 PHE A 52 0.427 7.164 3.947 1.00 0.00 C ATOM 820 CZ PHE A 52 0.966 8.158 4.741 1.00 0.00 C ATOM 0 H PHE A 52 2.924 3.765 1.505 1.00 0.00 H new ATOM 0 HA PHE A 52 4.757 5.335 3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.349 3.706 4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.594 4.277 5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.813 6.645 5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.690 5.207 3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.601 8.752 5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.527 7.314 3.463 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.430 9.085 4.879 1.00 0.00 H new ATOM 830 N TYR A 53 6.123 3.262 2.958 1.00 0.00 N ATOM 831 CA TYR A 53 6.915 2.089 3.089 1.00 0.00 C ATOM 832 C TYR A 53 7.724 2.206 4.378 1.00 0.00 C ATOM 833 O TYR A 53 8.719 2.908 4.404 1.00 0.00 O ATOM 834 CB TYR A 53 7.900 1.935 1.905 1.00 0.00 C ATOM 835 CG TYR A 53 7.334 2.122 0.497 1.00 0.00 C ATOM 836 CD1 TYR A 53 6.028 1.780 0.171 1.00 0.00 C ATOM 837 CD2 TYR A 53 8.131 2.659 -0.508 1.00 0.00 C ATOM 838 CE1 TYR A 53 5.538 1.964 -1.106 1.00 0.00 C ATOM 839 CE2 TYR A 53 7.646 2.846 -1.782 1.00 0.00 C ATOM 840 CZ TYR A 53 6.357 2.497 -2.077 1.00 0.00 C ATOM 841 OH TYR A 53 5.873 2.697 -3.349 1.00 0.00 O ATOM 0 H TYR A 53 6.635 4.110 2.717 1.00 0.00 H new ATOM 0 HA TYR A 53 6.256 1.221 3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.708 2.653 2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.344 0.941 1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.384 1.362 0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.151 2.935 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.520 1.692 -1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.282 3.267 -2.547 1.00 0.00 H new ATOM 0 HH TYR A 53 6.578 3.081 -3.911 1.00 0.00 H new ATOM 851 N PRO A 54 7.344 1.510 5.457 1.00 0.00 N ATOM 852 CA PRO A 54 8.110 1.542 6.697 1.00 0.00 C ATOM 853 C PRO A 54 9.292 0.599 6.599 1.00 0.00 C ATOM 854 O PRO A 54 9.383 -0.141 5.648 1.00 0.00 O ATOM 855 CB PRO A 54 7.127 1.053 7.745 1.00 0.00 C ATOM 856 CG PRO A 54 6.174 0.171 7.003 1.00 0.00 C ATOM 857 CD PRO A 54 6.147 0.652 5.568 1.00 0.00 C ATOM 0 HA PRO A 54 8.511 2.529 6.927 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.636 0.505 8.538 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.607 1.886 8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.493 -0.870 7.054 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.179 0.221 7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.187 -0.181 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.235 1.208 5.350 1.00 0.00 H new ATOM 865 N GLU A 55 10.183 0.650 7.548 1.00 0.00 N ATOM 866 CA GLU A 55 11.397 -0.172 7.572 1.00 0.00 C ATOM 867 C GLU A 55 12.077 0.072 8.900 1.00 0.00 C ATOM 868 O GLU A 55 11.557 0.841 9.722 1.00 0.00 O ATOM 869 CB GLU A 55 12.351 0.256 6.448 1.00 0.00 C ATOM 870 CG GLU A 55 12.813 1.676 6.547 1.00 0.00 C ATOM 871 CD GLU A 55 13.677 2.063 5.398 1.00 0.00 C ATOM 872 OE1 GLU A 55 13.293 1.781 4.240 1.00 0.00 O ATOM 873 OE2 GLU A 55 14.725 2.696 5.626 1.00 0.00 O ATOM 0 H GLU A 55 10.100 1.272 8.352 1.00 0.00 H new ATOM 0 HA GLU A 55 11.142 -1.223 7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.222 -0.400 6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.853 0.113 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.947 2.337 6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.364 1.814 7.477 1.00 0.00 H new ATOM 936 N THR A 60 15.611 -4.550 5.515 1.00 0.00 N ATOM 937 CA THR A 60 14.405 -5.226 5.120 1.00 0.00 C ATOM 938 C THR A 60 13.142 -4.868 5.944 1.00 0.00 C ATOM 939 O THR A 60 13.100 -5.006 7.177 1.00 0.00 O ATOM 940 CB THR A 60 14.664 -6.727 5.178 1.00 0.00 C ATOM 941 OG1 THR A 60 15.814 -7.022 4.368 1.00 0.00 O ATOM 942 CG2 THR A 60 13.478 -7.504 4.664 1.00 0.00 C ATOM 0 HA THR A 60 14.173 -4.887 4.110 1.00 0.00 H new ATOM 0 HB THR A 60 14.836 -7.018 6.214 1.00 0.00 H new ATOM 0 HG1 THR A 60 16.403 -6.239 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.692 -8.572 4.717 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.603 -7.278 5.274 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.281 -7.225 3.629 1.00 0.00 H new ATOM 950 N LYS A 61 12.168 -4.335 5.224 1.00 0.00 N ATOM 951 CA LYS A 61 10.835 -4.073 5.697 1.00 0.00 C ATOM 952 C LYS A 61 10.079 -5.392 5.812 1.00 0.00 C ATOM 953 O LYS A 61 10.518 -6.420 5.294 1.00 0.00 O ATOM 954 CB LYS A 61 10.100 -3.270 4.645 1.00 0.00 C ATOM 955 CG LYS A 61 10.870 -2.118 4.067 1.00 0.00 C ATOM 956 CD LYS A 61 10.055 -1.445 2.997 1.00 0.00 C ATOM 957 CE LYS A 61 10.736 -0.212 2.439 1.00 0.00 C ATOM 958 NZ LYS A 61 10.900 0.890 3.425 1.00 0.00 N ATOM 0 H LYS A 61 12.300 -4.064 4.250 1.00 0.00 H new ATOM 0 HA LYS A 61 10.890 -3.552 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.815 -3.939 3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.178 -2.887 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.117 -1.403 4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.813 -2.472 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.869 -2.151 2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.084 -1.166 3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.718 -0.493 2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.159 0.156 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.629 1.793 2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.293 0.711 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.893 0.938 3.730 1.00 0.00 H new ATOM 972 N GLY A 62 8.936 -5.354 6.425 1.00 0.00 N ATOM 973 CA GLY A 62 8.131 -6.539 6.513 1.00 0.00 C ATOM 974 C GLY A 62 6.755 -6.329 5.936 1.00 0.00 C ATOM 975 O GLY A 62 5.998 -7.288 5.762 1.00 0.00 O ATOM 0 H GLY A 62 8.540 -4.525 6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.626 -7.354 5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.045 -6.842 7.556 1.00 0.00 H new ATOM 979 N TYR A 63 6.434 -5.080 5.610 1.00 0.00 N ATOM 980 CA TYR A 63 5.112 -4.714 5.124 1.00 0.00 C ATOM 981 C TYR A 63 5.149 -3.280 4.600 1.00 0.00 C ATOM 982 O TYR A 63 6.071 -2.531 4.952 1.00 0.00 O ATOM 983 CB TYR A 63 4.067 -4.846 6.267 1.00 0.00 C ATOM 984 CG TYR A 63 4.275 -3.899 7.439 1.00 0.00 C ATOM 985 CD1 TYR A 63 5.334 -4.065 8.326 1.00 0.00 C ATOM 986 CD2 TYR A 63 3.409 -2.848 7.656 1.00 0.00 C ATOM 987 CE1 TYR A 63 5.520 -3.202 9.384 1.00 0.00 C ATOM 988 CE2 TYR A 63 3.588 -1.983 8.716 1.00 0.00 C ATOM 989 CZ TYR A 63 4.643 -2.162 9.574 1.00 0.00 C ATOM 990 OH TYR A 63 4.833 -1.275 10.622 1.00 0.00 O ATOM 0 H TYR A 63 7.083 -4.296 5.676 1.00 0.00 H new ATOM 0 HA TYR A 63 4.822 -5.385 4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.074 -4.675 5.853 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.085 -5.870 6.639 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.022 -4.885 8.183 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.576 -2.699 6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.351 -3.342 10.060 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.898 -1.166 8.870 1.00 0.00 H new ATOM 0 HH TYR A 63 4.123 -0.599 10.611 1.00 0.00 H new ATOM 1000 N ILE A 64 4.183 -2.910 3.753 1.00 0.00 N ATOM 1001 CA ILE A 64 4.061 -1.532 3.221 1.00 0.00 C ATOM 1002 C ILE A 64 2.590 -1.190 3.007 1.00 0.00 C ATOM 1003 O ILE A 64 1.720 -2.071 3.113 1.00 0.00 O ATOM 1004 CB ILE A 64 4.799 -1.292 1.860 1.00 0.00 C ATOM 1005 CG1 ILE A 64 4.199 -2.156 0.742 1.00 0.00 C ATOM 1006 CG2 ILE A 64 6.308 -1.501 1.976 1.00 0.00 C ATOM 1007 CD1 ILE A 64 4.787 -1.896 -0.633 1.00 0.00 C ATOM 0 H ILE A 64 3.463 -3.547 3.413 1.00 0.00 H new ATOM 0 HA ILE A 64 4.534 -0.896 3.969 1.00 0.00 H new ATOM 0 HB ILE A 64 4.645 -0.246 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.344 -3.207 0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.124 -1.983 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.775 -1.323 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.716 -0.805 2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.510 -2.524 2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.307 -2.548 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.619 -0.855 -0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.858 -2.098 -0.615 1.00 0.00 H new ATOM 1019 N PHE A 65 2.325 0.072 2.688 1.00 0.00 N ATOM 1020 CA PHE A 65 0.981 0.558 2.428 1.00 0.00 C ATOM 1021 C PHE A 65 0.982 1.453 1.208 1.00 0.00 C ATOM 1022 O PHE A 65 1.883 2.290 1.024 1.00 0.00 O ATOM 1023 CB PHE A 65 0.442 1.367 3.612 1.00 0.00 C ATOM 1024 CG PHE A 65 0.444 0.646 4.917 1.00 0.00 C ATOM 1025 CD1 PHE A 65 -0.602 -0.184 5.267 1.00 0.00 C ATOM 1026 CD2 PHE A 65 1.493 0.809 5.801 1.00 0.00 C ATOM 1027 CE1 PHE A 65 -0.599 -0.844 6.474 1.00 0.00 C ATOM 1028 CE2 PHE A 65 1.501 0.161 7.006 1.00 0.00 C ATOM 1029 CZ PHE A 65 0.452 -0.671 7.348 1.00 0.00 C ATOM 0 H PHE A 65 3.045 0.790 2.603 1.00 0.00 H new ATOM 0 HA PHE A 65 0.345 -0.312 2.267 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.037 2.275 3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.578 1.678 3.387 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.430 -0.316 4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.317 1.456 5.538 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.419 -1.496 6.736 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.326 0.300 7.689 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.456 -1.184 8.298 1.00 0.00 H new ATOM 1039 N LEU A 66 -0.002 1.268 0.385 1.00 0.00 N ATOM 1040 CA LEU A 66 -0.200 2.077 -0.797 1.00 0.00 C ATOM 1041 C LEU A 66 -1.451 2.894 -0.585 1.00 0.00 C ATOM 1042 O LEU A 66 -2.532 2.332 -0.464 1.00 0.00 O ATOM 1043 CB LEU A 66 -0.402 1.207 -2.044 1.00 0.00 C ATOM 1044 CG LEU A 66 0.794 0.444 -2.659 1.00 0.00 C ATOM 1045 CD1 LEU A 66 1.878 1.388 -3.124 1.00 0.00 C ATOM 1046 CD2 LEU A 66 1.356 -0.634 -1.738 1.00 0.00 C ATOM 0 H LEU A 66 -0.707 0.541 0.509 1.00 0.00 H new ATOM 0 HA LEU A 66 0.680 2.702 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.167 0.469 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.812 1.849 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 66 0.400 -0.074 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.701 0.815 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.475 2.061 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.241 1.970 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.192 -1.132 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.699 -0.177 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.578 -1.365 -1.516 1.00 0.00 H new ATOM 1058 N GLU A 67 -1.322 4.182 -0.543 1.00 0.00 N ATOM 1059 CA GLU A 67 -2.454 5.041 -0.284 1.00 0.00 C ATOM 1060 C GLU A 67 -2.999 5.620 -1.585 1.00 0.00 C ATOM 1061 O GLU A 67 -2.268 6.214 -2.388 1.00 0.00 O ATOM 1062 CB GLU A 67 -2.084 6.144 0.732 1.00 0.00 C ATOM 1063 CG GLU A 67 -3.209 7.128 1.039 1.00 0.00 C ATOM 1064 CD GLU A 67 -2.865 8.109 2.142 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -2.129 9.087 1.889 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -3.358 7.941 3.279 1.00 0.00 O ATOM 0 H GLU A 67 -0.440 4.674 -0.685 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.249 4.445 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.768 5.672 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.228 6.699 0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.454 7.682 0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.102 6.571 1.323 1.00 0.00 H new ATOM 1073 N TYR A 68 -4.255 5.392 -1.808 1.00 0.00 N ATOM 1074 CA TYR A 68 -4.962 5.878 -2.963 1.00 0.00 C ATOM 1075 C TYR A 68 -6.135 6.694 -2.484 1.00 0.00 C ATOM 1076 O TYR A 68 -6.323 6.898 -1.276 1.00 0.00 O ATOM 1077 CB TYR A 68 -5.556 4.733 -3.781 1.00 0.00 C ATOM 1078 CG TYR A 68 -4.624 3.716 -4.373 1.00 0.00 C ATOM 1079 CD1 TYR A 68 -3.877 2.877 -3.575 1.00 0.00 C ATOM 1080 CD2 TYR A 68 -4.556 3.542 -5.737 1.00 0.00 C ATOM 1081 CE1 TYR A 68 -3.096 1.914 -4.118 1.00 0.00 C ATOM 1082 CE2 TYR A 68 -3.782 2.555 -6.280 1.00 0.00 C ATOM 1083 CZ TYR A 68 -3.057 1.748 -5.455 1.00 0.00 C ATOM 1084 OH TYR A 68 -2.320 0.737 -5.966 1.00 0.00 O ATOM 0 H TYR A 68 -4.840 4.846 -1.175 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.259 6.446 -3.572 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.263 4.203 -3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.129 5.172 -4.597 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.915 2.989 -2.502 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.122 4.194 -6.386 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.503 1.277 -3.478 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.745 2.416 -7.350 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.377 0.753 -6.944 1.00 0.00 H new ATOM 1094 N ALA A 69 -6.914 7.142 -3.414 1.00 0.00 N ATOM 1095 CA ALA A 69 -8.129 7.847 -3.134 1.00 0.00 C ATOM 1096 C ALA A 69 -9.302 7.071 -3.738 1.00 0.00 C ATOM 1097 O ALA A 69 -10.449 7.507 -3.688 1.00 0.00 O ATOM 1098 CB ALA A 69 -8.037 9.218 -3.767 1.00 0.00 C ATOM 0 H ALA A 69 -6.723 7.028 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.281 7.946 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.953 9.774 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.187 9.756 -3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.905 9.113 -4.844 1.00 0.00 H new ATOM 1104 N SER A 70 -8.999 5.885 -4.228 1.00 0.00 N ATOM 1105 CA SER A 70 -9.877 5.148 -5.092 1.00 0.00 C ATOM 1106 C SER A 70 -11.074 4.356 -4.405 1.00 0.00 C ATOM 1107 O SER A 70 -11.018 3.968 -3.227 1.00 0.00 O ATOM 1108 CB SER A 70 -8.994 4.252 -5.968 1.00 0.00 C ATOM 1109 OG SER A 70 -7.963 5.028 -6.566 1.00 0.00 O ATOM 0 H SER A 70 -8.121 5.406 -4.029 1.00 0.00 H new ATOM 0 HA SER A 70 -10.434 5.875 -5.683 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.559 3.455 -5.366 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.597 3.775 -6.740 1.00 0.00 H new ATOM 0 HG SER A 70 -7.400 4.451 -7.123 1.00 0.00 H new ATOM 1115 N PRO A 71 -12.152 4.147 -5.230 1.00 0.00 N ATOM 1116 CA PRO A 71 -13.465 3.426 -4.982 1.00 0.00 C ATOM 1117 C PRO A 71 -13.571 2.102 -4.158 1.00 0.00 C ATOM 1118 O PRO A 71 -14.690 1.593 -4.105 1.00 0.00 O ATOM 1119 CB PRO A 71 -14.024 3.184 -6.402 1.00 0.00 C ATOM 1120 CG PRO A 71 -12.920 3.563 -7.311 1.00 0.00 C ATOM 1121 CD PRO A 71 -12.220 4.667 -6.614 1.00 0.00 C ATOM 0 HA PRO A 71 -14.003 4.080 -4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.312 2.142 -6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.913 3.788 -6.586 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.251 2.722 -7.493 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.299 3.884 -8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.230 4.853 -7.031 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.772 5.605 -6.673 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.503 1.571 -3.491 1.00 0.00 N ATOM 1130 CA ALA A 72 -12.385 0.156 -3.096 1.00 0.00 C ATOM 1131 C ALA A 72 -11.780 -0.616 -4.232 1.00 0.00 C ATOM 1132 O ALA A 72 -12.413 -1.363 -4.989 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.656 -0.490 -2.522 1.00 0.00 C ATOM 0 H ALA A 72 -11.696 2.131 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.718 0.122 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.452 -1.530 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.966 0.049 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.453 -0.448 -3.265 1.00 0.00 H new ATOM 1139 N HIS A 73 -10.551 -0.205 -4.431 1.00 0.00 N ATOM 1140 CA HIS A 73 -9.597 -0.710 -5.400 1.00 0.00 C ATOM 1141 C HIS A 73 -8.703 -1.753 -4.683 1.00 0.00 C ATOM 1142 O HIS A 73 -8.126 -2.641 -5.300 1.00 0.00 O ATOM 1143 CB HIS A 73 -8.684 0.484 -5.849 1.00 0.00 C ATOM 1144 CG HIS A 73 -7.913 1.050 -4.694 1.00 0.00 C ATOM 1145 ND1 HIS A 73 -6.684 0.593 -4.315 1.00 0.00 N ATOM 1146 CD2 HIS A 73 -8.295 1.913 -3.743 1.00 0.00 C ATOM 1147 CE1 HIS A 73 -6.389 1.160 -3.162 1.00 0.00 C ATOM 1148 NE2 HIS A 73 -7.331 1.971 -2.779 1.00 0.00 N ATOM 0 H HIS A 73 -10.156 0.554 -3.875 1.00 0.00 H new ATOM 0 HA HIS A 73 -10.105 -1.152 -6.257 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.991 0.144 -6.619 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -9.299 1.266 -6.296 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.101 -0.067 -4.830 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -9.218 2.473 -3.740 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.481 0.975 -2.607 1.00 0.00 H new ATOM 1156 N ALA A 74 -8.607 -1.606 -3.360 1.00 0.00 N ATOM 1157 CA ALA A 74 -7.724 -2.407 -2.549 1.00 0.00 C ATOM 1158 C ALA A 74 -8.402 -3.713 -2.294 1.00 0.00 C ATOM 1159 O ALA A 74 -7.780 -4.774 -2.263 1.00 0.00 O ATOM 1160 CB ALA A 74 -7.378 -1.656 -1.244 1.00 0.00 C ATOM 0 H ALA A 74 -9.147 -0.922 -2.831 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.778 -2.595 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.711 -2.269 -0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.886 -0.714 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.293 -1.455 -0.686 1.00 0.00 H new ATOM 1166 N VAL A 75 -9.691 -3.622 -2.186 1.00 0.00 N ATOM 1167 CA VAL A 75 -10.558 -4.729 -2.035 1.00 0.00 C ATOM 1168 C VAL A 75 -10.536 -5.589 -3.329 1.00 0.00 C ATOM 1169 O VAL A 75 -10.745 -6.815 -3.297 1.00 0.00 O ATOM 1170 CB VAL A 75 -12.000 -4.218 -1.724 1.00 0.00 C ATOM 1171 CG1 VAL A 75 -12.756 -3.790 -2.970 1.00 0.00 C ATOM 1172 CG2 VAL A 75 -12.755 -5.214 -0.889 1.00 0.00 C ATOM 0 H VAL A 75 -10.182 -2.728 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.226 -5.353 -1.205 1.00 0.00 H new ATOM 0 HB VAL A 75 -11.902 -3.310 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.751 -3.445 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.216 -2.982 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.843 -4.636 -3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -13.756 -4.834 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.827 -6.159 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.229 -5.372 0.053 1.00 0.00 H new ATOM 1182 N ASP A 76 -10.233 -4.928 -4.454 1.00 0.00 N ATOM 1183 CA ASP A 76 -10.126 -5.584 -5.754 1.00 0.00 C ATOM 1184 C ASP A 76 -8.902 -6.461 -5.750 1.00 0.00 C ATOM 1185 O ASP A 76 -8.921 -7.580 -6.259 1.00 0.00 O ATOM 1186 CB ASP A 76 -10.038 -4.545 -6.893 1.00 0.00 C ATOM 1187 CG ASP A 76 -9.896 -5.160 -8.284 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -10.927 -5.425 -8.937 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -8.762 -5.360 -8.761 1.00 0.00 O ATOM 0 H ASP A 76 -10.056 -3.924 -4.483 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.017 -6.188 -5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.932 -3.921 -6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.187 -3.889 -6.708 1.00 0.00 H new ATOM 1194 N ALA A 77 -7.854 -5.963 -5.113 1.00 0.00 N ATOM 1195 CA ALA A 77 -6.613 -6.687 -4.973 1.00 0.00 C ATOM 1196 C ALA A 77 -6.821 -7.931 -4.122 1.00 0.00 C ATOM 1197 O ALA A 77 -6.369 -8.992 -4.477 1.00 0.00 O ATOM 1198 CB ALA A 77 -5.531 -5.797 -4.373 1.00 0.00 C ATOM 0 H ALA A 77 -7.846 -5.040 -4.679 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.281 -6.997 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.605 -6.364 -4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.365 -4.938 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.848 -5.451 -3.389 1.00 0.00 H new ATOM 1204 N VAL A 78 -7.572 -7.787 -3.038 1.00 0.00 N ATOM 1205 CA VAL A 78 -7.850 -8.849 -2.115 1.00 0.00 C ATOM 1206 C VAL A 78 -8.522 -10.050 -2.796 1.00 0.00 C ATOM 1207 O VAL A 78 -8.128 -11.200 -2.594 1.00 0.00 O ATOM 1208 CB VAL A 78 -8.743 -8.306 -0.976 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -9.147 -9.392 -0.049 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -8.027 -7.224 -0.204 1.00 0.00 C ATOM 0 H VAL A 78 -8.009 -6.902 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.903 -9.206 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.638 -7.885 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.774 -8.981 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.706 -10.150 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.258 -9.844 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.674 -6.856 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.113 -7.630 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.776 -6.403 -0.876 1.00 0.00 H new ATOM 1220 N LYS A 79 -9.516 -9.781 -3.596 1.00 0.00 N ATOM 1221 CA LYS A 79 -10.259 -10.835 -4.234 1.00 0.00 C ATOM 1222 C LYS A 79 -9.597 -11.319 -5.538 1.00 0.00 C ATOM 1223 O LYS A 79 -9.923 -12.391 -6.051 1.00 0.00 O ATOM 1224 CB LYS A 79 -11.676 -10.379 -4.462 1.00 0.00 C ATOM 1225 CG LYS A 79 -12.622 -11.534 -4.716 1.00 0.00 C ATOM 1226 CD LYS A 79 -14.064 -11.120 -4.612 1.00 0.00 C ATOM 1227 CE LYS A 79 -14.442 -10.660 -3.194 1.00 0.00 C ATOM 1228 NZ LYS A 79 -14.204 -11.708 -2.170 1.00 0.00 N ATOM 0 H LYS A 79 -9.832 -8.838 -3.823 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.265 -11.699 -3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.018 -9.818 -3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.703 -9.698 -5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.434 -11.944 -5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.422 -12.330 -3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.259 -10.312 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.701 -11.956 -4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.865 -9.771 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.494 -10.374 -3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.643 -11.422 -1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.621 -12.606 -2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.181 -11.832 -2.031 1.00 0.00 H new ATOM 1242 N ASN A 80 -8.670 -10.540 -6.059 1.00 0.00 N ATOM 1243 CA ASN A 80 -8.007 -10.885 -7.323 1.00 0.00 C ATOM 1244 C ASN A 80 -6.555 -11.286 -7.160 1.00 0.00 C ATOM 1245 O ASN A 80 -6.200 -12.450 -7.351 1.00 0.00 O ATOM 1246 CB ASN A 80 -8.106 -9.756 -8.354 1.00 0.00 C ATOM 1247 CG ASN A 80 -9.476 -9.617 -8.967 1.00 0.00 C ATOM 1248 OD1 ASN A 80 -9.773 -10.243 -9.982 1.00 0.00 O ATOM 1249 ND2 ASN A 80 -10.299 -8.781 -8.399 1.00 0.00 N ATOM 0 H ASN A 80 -8.353 -9.667 -5.638 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.552 -11.756 -7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.833 -8.815 -7.877 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.379 -9.934 -9.146 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.226 -8.628 -8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.016 -8.280 -7.557 1.00 0.00 H new ATOM 1256 N ALA A 81 -5.718 -10.344 -6.796 1.00 0.00 N ATOM 1257 CA ALA A 81 -4.298 -10.578 -6.749 1.00 0.00 C ATOM 1258 C ALA A 81 -3.759 -10.472 -5.341 1.00 0.00 C ATOM 1259 O ALA A 81 -3.197 -9.460 -4.945 1.00 0.00 O ATOM 1260 CB ALA A 81 -3.546 -9.654 -7.703 1.00 0.00 C ATOM 0 H ALA A 81 -6.001 -9.402 -6.526 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.131 -11.602 -7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.477 -9.859 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.890 -9.826 -8.723 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.733 -8.616 -7.427 1.00 0.00 H new ATOM 1266 N ASP A 82 -4.023 -11.480 -4.579 1.00 0.00 N ATOM 1267 CA ASP A 82 -3.507 -11.605 -3.239 1.00 0.00 C ATOM 1268 C ASP A 82 -2.524 -12.726 -3.207 1.00 0.00 C ATOM 1269 O ASP A 82 -2.779 -13.783 -3.796 1.00 0.00 O ATOM 1270 CB ASP A 82 -4.630 -11.857 -2.233 1.00 0.00 C ATOM 1271 CG ASP A 82 -4.116 -12.368 -0.890 1.00 0.00 C ATOM 1272 OD1 ASP A 82 -3.381 -11.652 -0.207 1.00 0.00 O ATOM 1273 OD2 ASP A 82 -4.439 -13.523 -0.510 1.00 0.00 O ATOM 0 H ASP A 82 -4.614 -12.260 -4.867 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.019 -10.672 -2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.186 -10.932 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.329 -12.582 -2.649 1.00 0.00 H new ATOM 1278 N GLY A 83 -1.401 -12.501 -2.575 1.00 0.00 N ATOM 1279 CA GLY A 83 -0.379 -13.518 -2.480 1.00 0.00 C ATOM 1280 C GLY A 83 0.247 -13.772 -3.820 1.00 0.00 C ATOM 1281 O GLY A 83 0.463 -14.916 -4.213 1.00 0.00 O ATOM 0 H GLY A 83 -1.168 -11.620 -2.116 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.386 -13.205 -1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.813 -14.441 -2.096 1.00 0.00 H new ATOM 1285 N TYR A 84 0.511 -12.713 -4.540 1.00 0.00 N ATOM 1286 CA TYR A 84 1.072 -12.839 -5.851 1.00 0.00 C ATOM 1287 C TYR A 84 2.579 -12.777 -5.784 1.00 0.00 C ATOM 1288 O TYR A 84 3.156 -11.899 -5.122 1.00 0.00 O ATOM 1289 CB TYR A 84 0.475 -11.817 -6.840 1.00 0.00 C ATOM 1290 CG TYR A 84 0.689 -10.362 -6.511 1.00 0.00 C ATOM 1291 CD1 TYR A 84 -0.078 -9.725 -5.548 1.00 0.00 C ATOM 1292 CD2 TYR A 84 1.641 -9.621 -7.187 1.00 0.00 C ATOM 1293 CE1 TYR A 84 0.101 -8.393 -5.265 1.00 0.00 C ATOM 1294 CE2 TYR A 84 1.827 -8.294 -6.910 1.00 0.00 C ATOM 1295 CZ TYR A 84 1.053 -7.682 -5.948 1.00 0.00 C ATOM 1296 OH TYR A 84 1.243 -6.361 -5.669 1.00 0.00 O ATOM 0 H TYR A 84 0.345 -11.754 -4.236 1.00 0.00 H new ATOM 0 HA TYR A 84 0.801 -13.818 -6.246 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.897 -12.010 -7.826 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.598 -11.997 -6.911 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.829 -10.286 -5.011 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.246 -10.097 -7.944 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.503 -7.910 -4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.577 -7.729 -7.443 1.00 0.00 H new ATOM 0 HH TYR A 84 0.931 -6.170 -4.760 1.00 0.00 H new ATOM 1306 N LYS A 85 3.202 -13.721 -6.427 1.00 0.00 N ATOM 1307 CA LYS A 85 4.633 -13.874 -6.395 1.00 0.00 C ATOM 1308 C LYS A 85 5.328 -13.285 -7.598 1.00 0.00 C ATOM 1309 O LYS A 85 4.951 -13.535 -8.740 1.00 0.00 O ATOM 1310 CB LYS A 85 5.041 -15.357 -6.136 1.00 0.00 C ATOM 1311 CG LYS A 85 4.133 -16.426 -6.779 1.00 0.00 C ATOM 1312 CD LYS A 85 4.189 -16.449 -8.301 1.00 0.00 C ATOM 1313 CE LYS A 85 3.107 -17.348 -8.882 1.00 0.00 C ATOM 1314 NZ LYS A 85 3.233 -18.750 -8.439 1.00 0.00 N ATOM 0 H LYS A 85 2.725 -14.419 -6.998 1.00 0.00 H new ATOM 0 HA LYS A 85 4.985 -13.285 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.057 -15.503 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.062 -15.525 -5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.419 -17.407 -6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.104 -16.251 -6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.069 -15.437 -8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.169 -16.800 -8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.128 -16.966 -8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.154 -17.309 -9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.548 -19.340 -8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.197 -19.090 -8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.043 -18.810 -7.418 1.00 0.00 H new ATOM 1328 N LEU A 86 6.280 -12.444 -7.334 1.00 0.00 N ATOM 1329 CA LEU A 86 7.121 -11.911 -8.375 1.00 0.00 C ATOM 1330 C LEU A 86 8.283 -12.862 -8.589 1.00 0.00 C ATOM 1331 O LEU A 86 8.434 -13.471 -9.663 1.00 0.00 O ATOM 1332 CB LEU A 86 7.681 -10.511 -8.044 1.00 0.00 C ATOM 1333 CG LEU A 86 6.695 -9.371 -7.771 1.00 0.00 C ATOM 1334 CD1 LEU A 86 7.458 -8.056 -7.654 1.00 0.00 C ATOM 1335 CD2 LEU A 86 5.628 -9.279 -8.853 1.00 0.00 C ATOM 0 H LEU A 86 6.500 -12.105 -6.397 1.00 0.00 H new ATOM 0 HA LEU A 86 6.508 -11.810 -9.270 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.323 -10.610 -7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.319 -10.205 -8.874 1.00 0.00 H new ATOM 0 HG LEU A 86 6.182 -9.578 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.757 -7.244 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.173 -8.122 -6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.991 -7.860 -8.585 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.948 -8.459 -8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.103 -9.098 -9.818 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.069 -10.214 -8.893 1.00 0.00 H new ATOM 1347 N ASP A 87 9.069 -13.028 -7.530 1.00 0.00 N ATOM 1348 CA ASP A 87 10.294 -13.808 -7.564 1.00 0.00 C ATOM 1349 C ASP A 87 10.863 -13.909 -6.168 1.00 0.00 C ATOM 1350 O ASP A 87 10.654 -13.005 -5.348 1.00 0.00 O ATOM 1351 CB ASP A 87 11.359 -13.108 -8.452 1.00 0.00 C ATOM 1352 CG ASP A 87 11.853 -11.767 -7.885 1.00 0.00 C ATOM 1353 OD1 ASP A 87 11.119 -10.744 -7.968 1.00 0.00 O ATOM 1354 OD2 ASP A 87 12.977 -11.703 -7.350 1.00 0.00 O ATOM 0 H ASP A 87 8.869 -12.620 -6.617 1.00 0.00 H new ATOM 0 HA ASP A 87 10.060 -14.794 -7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.211 -13.776 -8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.939 -12.940 -9.444 1.00 0.00 H new ATOM 1359 N LYS A 88 11.537 -15.022 -5.896 1.00 0.00 N ATOM 1360 CA LYS A 88 12.334 -15.241 -4.694 1.00 0.00 C ATOM 1361 C LYS A 88 11.562 -15.126 -3.352 1.00 0.00 C ATOM 1362 O LYS A 88 11.153 -16.125 -2.755 1.00 0.00 O ATOM 1363 CB LYS A 88 13.517 -14.267 -4.749 1.00 0.00 C ATOM 1364 CG LYS A 88 14.485 -14.281 -3.578 1.00 0.00 C ATOM 1365 CD LYS A 88 15.477 -13.137 -3.726 1.00 0.00 C ATOM 1366 CE LYS A 88 16.451 -13.064 -2.571 1.00 0.00 C ATOM 1367 NZ LYS A 88 17.345 -14.241 -2.498 1.00 0.00 N ATOM 0 H LYS A 88 11.544 -15.823 -6.527 1.00 0.00 H new ATOM 0 HA LYS A 88 12.663 -16.280 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.083 -14.474 -5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.118 -13.257 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.939 -14.184 -2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.014 -15.233 -3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.031 -13.258 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.933 -12.195 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.054 -12.161 -2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.895 -12.978 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.045 -14.099 -1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.783 -15.092 -2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.836 -14.361 -3.407 1.00 0.00 H new ATOM 1381 N GLN A 89 11.385 -13.915 -2.910 1.00 0.00 N ATOM 1382 CA GLN A 89 10.828 -13.593 -1.612 1.00 0.00 C ATOM 1383 C GLN A 89 9.599 -12.725 -1.773 1.00 0.00 C ATOM 1384 O GLN A 89 8.816 -12.517 -0.834 1.00 0.00 O ATOM 1385 CB GLN A 89 11.936 -12.849 -0.838 1.00 0.00 C ATOM 1386 CG GLN A 89 11.553 -12.182 0.473 1.00 0.00 C ATOM 1387 CD GLN A 89 12.784 -11.713 1.216 1.00 0.00 C ATOM 1388 OE1 GLN A 89 12.716 -10.582 1.861 1.00 0.00 O flip ATOM 1389 NE2 GLN A 89 13.834 -12.341 1.128 1.00 0.00 N flip ATOM 0 H GLN A 89 11.631 -13.090 -3.457 1.00 0.00 H new ATOM 0 HA GLN A 89 10.516 -14.488 -1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.737 -13.559 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.350 -12.084 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.896 -11.335 0.277 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.993 -12.882 1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.859 -13.224 0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.682 -11.981 1.566 1.00 0.00 H new ATOM 1398 N HIS A 90 9.393 -12.283 -2.966 1.00 0.00 N ATOM 1399 CA HIS A 90 8.435 -11.255 -3.218 1.00 0.00 C ATOM 1400 C HIS A 90 7.102 -11.841 -3.571 1.00 0.00 C ATOM 1401 O HIS A 90 6.812 -12.134 -4.720 1.00 0.00 O ATOM 1402 CB HIS A 90 8.924 -10.327 -4.320 1.00 0.00 C ATOM 1403 CG HIS A 90 10.378 -9.934 -4.174 1.00 0.00 C ATOM 1404 ND1 HIS A 90 11.306 -9.973 -5.197 1.00 0.00 N ATOM 1405 CD2 HIS A 90 11.061 -9.547 -3.075 1.00 0.00 C ATOM 1406 CE1 HIS A 90 12.491 -9.623 -4.694 1.00 0.00 C ATOM 1407 NE2 HIS A 90 12.400 -9.353 -3.401 1.00 0.00 N ATOM 0 H HIS A 90 9.882 -12.621 -3.795 1.00 0.00 H new ATOM 0 HA HIS A 90 8.315 -10.671 -2.305 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.782 -10.814 -5.285 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.311 -9.426 -4.325 1.00 0.00 H new ATOM 0 HD1 HIS A 90 11.118 -10.225 -6.167 1.00 0.00 H new ATOM 0 HD2 HIS A 90 10.633 -9.409 -2.093 1.00 0.00 H new ATOM 0 HE1 HIS A 90 13.405 -9.567 -5.267 1.00 0.00 H new ATOM 1415 N THR A 91 6.348 -12.074 -2.576 1.00 0.00 N ATOM 1416 CA THR A 91 5.022 -12.594 -2.701 1.00 0.00 C ATOM 1417 C THR A 91 4.128 -11.760 -1.825 1.00 0.00 C ATOM 1418 O THR A 91 4.051 -11.976 -0.632 1.00 0.00 O ATOM 1419 CB THR A 91 4.947 -14.060 -2.270 1.00 0.00 C ATOM 1420 OG1 THR A 91 6.068 -14.779 -2.828 1.00 0.00 O ATOM 1421 CG2 THR A 91 3.672 -14.663 -2.796 1.00 0.00 C ATOM 0 H THR A 91 6.632 -11.907 -1.611 1.00 0.00 H new ATOM 0 HA THR A 91 4.711 -12.550 -3.745 1.00 0.00 H new ATOM 0 HB THR A 91 4.970 -14.124 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.024 -15.718 -2.553 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.612 -15.708 -2.493 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.818 -14.118 -2.393 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.661 -14.600 -3.884 1.00 0.00 H new ATOM 1429 N PHE A 92 3.468 -10.831 -2.410 1.00 0.00 N ATOM 1430 CA PHE A 92 2.758 -9.825 -1.652 1.00 0.00 C ATOM 1431 C PHE A 92 1.407 -10.313 -1.223 1.00 0.00 C ATOM 1432 O PHE A 92 0.545 -10.564 -2.068 1.00 0.00 O ATOM 1433 CB PHE A 92 2.591 -8.557 -2.480 1.00 0.00 C ATOM 1434 CG PHE A 92 3.862 -8.045 -3.068 1.00 0.00 C ATOM 1435 CD1 PHE A 92 4.806 -7.421 -2.286 1.00 0.00 C ATOM 1436 CD2 PHE A 92 4.107 -8.194 -4.411 1.00 0.00 C ATOM 1437 CE1 PHE A 92 5.973 -6.952 -2.840 1.00 0.00 C ATOM 1438 CE2 PHE A 92 5.263 -7.732 -4.967 1.00 0.00 C ATOM 1439 CZ PHE A 92 6.199 -7.109 -4.186 1.00 0.00 C ATOM 0 H PHE A 92 3.394 -10.731 -3.422 1.00 0.00 H new ATOM 0 HA PHE A 92 3.350 -9.610 -0.762 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.883 -8.752 -3.285 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.154 -7.780 -1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.629 -7.299 -1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.374 -8.684 -5.035 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.709 -6.462 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.441 -7.858 -6.025 1.00 0.00 H new ATOM 0 HZ PHE A 92 7.114 -6.742 -4.627 1.00 0.00 H new ATOM 1449 N ARG A 93 1.219 -10.471 0.064 1.00 0.00 N ATOM 1450 CA ARG A 93 -0.093 -10.815 0.573 1.00 0.00 C ATOM 1451 C ARG A 93 -0.791 -9.518 0.820 1.00 0.00 C ATOM 1452 O ARG A 93 -0.175 -8.578 1.340 1.00 0.00 O ATOM 1453 CB ARG A 93 -0.087 -11.660 1.869 1.00 0.00 C ATOM 1454 CG ARG A 93 0.610 -13.012 1.791 1.00 0.00 C ATOM 1455 CD ARG A 93 2.124 -12.892 1.812 1.00 0.00 C ATOM 1456 NE ARG A 93 2.757 -14.203 1.740 1.00 0.00 N ATOM 1457 CZ ARG A 93 3.539 -14.736 2.681 1.00 0.00 C ATOM 1458 NH1 ARG A 93 3.853 -14.047 3.775 1.00 0.00 N ATOM 1459 NH2 ARG A 93 4.016 -15.960 2.514 1.00 0.00 N ATOM 0 H ARG A 93 1.945 -10.369 0.773 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.592 -11.446 -0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.389 -11.075 2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.120 -11.825 2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.287 -13.632 2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.303 -13.523 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.455 -12.279 0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.439 -12.383 2.723 1.00 0.00 H new ATOM 0 HE ARG A 93 2.588 -14.759 0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.495 -13.100 3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.452 -14.466 4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.785 -16.487 1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.615 -16.376 3.228 1.00 0.00 H new ATOM 1473 N VAL A 94 -2.022 -9.438 0.450 1.00 0.00 N ATOM 1474 CA VAL A 94 -2.722 -8.198 0.500 1.00 0.00 C ATOM 1475 C VAL A 94 -3.839 -8.250 1.528 1.00 0.00 C ATOM 1476 O VAL A 94 -4.358 -9.330 1.876 1.00 0.00 O ATOM 1477 CB VAL A 94 -3.326 -7.831 -0.884 1.00 0.00 C ATOM 1478 CG1 VAL A 94 -2.325 -7.957 -2.015 1.00 0.00 C ATOM 1479 CG2 VAL A 94 -4.559 -8.621 -1.153 1.00 0.00 C ATOM 0 H VAL A 94 -2.571 -10.225 0.105 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.999 -7.434 0.785 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.600 -6.777 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.804 -7.688 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.483 -7.289 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.967 -8.985 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.962 -8.346 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.318 -9.684 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.300 -8.412 -0.382 1.00 0.00 H new ATOM 1489 N ASN A 95 -4.136 -7.129 2.067 1.00 0.00 N ATOM 1490 CA ASN A 95 -5.269 -6.947 2.870 1.00 0.00 C ATOM 1491 C ASN A 95 -5.823 -5.578 2.553 1.00 0.00 C ATOM 1492 O ASN A 95 -5.078 -4.697 2.098 1.00 0.00 O ATOM 1493 CB ASN A 95 -4.907 -7.169 4.337 1.00 0.00 C ATOM 1494 CG ASN A 95 -5.763 -6.450 5.319 1.00 0.00 C ATOM 1495 OD1 ASN A 95 -5.373 -5.268 5.568 1.00 0.00 O flip ATOM 1496 ND2 ASN A 95 -6.771 -6.954 5.815 1.00 0.00 N flip ATOM 0 H ASN A 95 -3.573 -6.286 1.953 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.053 -7.676 2.665 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.958 -8.237 4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -3.872 -6.863 4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.034 -7.910 5.576 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.343 -6.415 6.465 1.00 0.00 H new