USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 695 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 59 LYS NZ :NH3+ -114:sc= -1.74! (180deg=-3.58!) USER MOD Set 1.2: A 69 THR OG1 : rot -130:sc= -0.705 USER MOD Set 2.1: A 24 THR OG1 : rot -113:sc= 0.363 USER MOD Set 2.2: A 39 ASN : amide:sc= -1.88 X(o=-1.5,f=-1.3!) USER MOD Single : A 7 ASN : amide:sc= -0.076 X(o=-0.076,f=0) USER MOD Single : A 8 GLN : amide:sc= -4.38! C(o=-4.4!,f=-6.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.447 K(o=-0.45,f=-4.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -3.77! K(o=-3.8!,f=-5.8) USER MOD Single : A 42 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.1!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.126 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.7) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 77:sc= 1.13 USER MOD Single : A 74 CYS SG : rot -17:sc= 0.00158 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.22) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.169 F(o=-0.68,f=-0.17) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.527 (180deg=-0.527) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -103:sc= -0.119 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -5.045 3.668 -8.439 1.00 0.00 N ATOM 169 CA ASN A 7 -5.046 2.700 -7.348 1.00 0.00 C ATOM 170 C ASN A 7 -4.050 1.576 -7.619 1.00 0.00 C ATOM 171 O ASN A 7 -3.814 1.206 -8.769 1.00 0.00 O ATOM 172 CB ASN A 7 -6.447 2.119 -7.155 1.00 0.00 C ATOM 173 CG ASN A 7 -7.151 1.854 -8.473 1.00 0.00 C ATOM 174 OD1 ASN A 7 -7.073 0.755 -9.020 1.00 0.00 O ATOM 175 ND2 ASN A 7 -7.842 2.864 -8.988 1.00 0.00 N ATOM 0 HA ASN A 7 -4.746 3.217 -6.436 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.377 1.189 -6.590 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.045 2.809 -6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.336 2.745 -9.873 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.879 3.758 -8.499 1.00 0.00 H new ATOM 182 N GLN A 8 -3.470 1.036 -6.551 1.00 0.00 N ATOM 183 CA GLN A 8 -2.500 -0.045 -6.673 1.00 0.00 C ATOM 184 C GLN A 8 -3.152 -1.396 -6.394 1.00 0.00 C ATOM 185 O GLN A 8 -4.046 -1.504 -5.554 1.00 0.00 O ATOM 186 CB GLN A 8 -1.331 0.179 -5.712 1.00 0.00 C ATOM 187 CG GLN A 8 -0.191 0.982 -6.318 1.00 0.00 C ATOM 188 CD GLN A 8 1.123 0.766 -5.593 1.00 0.00 C ATOM 189 OE1 GLN A 8 1.260 -0.161 -4.795 1.00 0.00 O ATOM 190 NE2 GLN A 8 2.099 1.622 -5.871 1.00 0.00 N ATOM 0 H GLN A 8 -3.656 1.330 -5.592 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.124 -0.048 -7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.695 0.695 -4.824 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.950 -0.788 -5.385 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.073 0.706 -7.366 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.445 2.042 -6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.941 2.376 -6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.007 1.526 -5.416 1.00 0.00 H new ATOM 199 N THR A 9 -2.700 -2.424 -7.105 1.00 0.00 N ATOM 200 CA THR A 9 -3.239 -3.767 -6.935 1.00 0.00 C ATOM 201 C THR A 9 -2.156 -4.743 -6.491 1.00 0.00 C ATOM 202 O THR A 9 -1.012 -4.661 -6.938 1.00 0.00 O ATOM 203 CB THR A 9 -3.878 -4.284 -8.238 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.025 -3.994 -9.351 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.243 -3.650 -8.460 1.00 0.00 C ATOM 0 H THR A 9 -1.961 -2.352 -7.805 1.00 0.00 H new ATOM 0 HA THR A 9 -4.005 -3.705 -6.162 1.00 0.00 H new ATOM 0 HB THR A 9 -4.006 -5.363 -8.151 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.438 -4.327 -10.175 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.675 -4.030 -9.386 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.899 -3.897 -7.625 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.135 -2.568 -8.528 1.00 0.00 H new ATOM 213 N VAL A 10 -2.524 -5.668 -5.610 1.00 0.00 N ATOM 214 CA VAL A 10 -1.583 -6.662 -5.106 1.00 0.00 C ATOM 215 C VAL A 10 -1.965 -8.062 -5.570 1.00 0.00 C ATOM 216 O VAL A 10 -3.144 -8.376 -5.728 1.00 0.00 O ATOM 217 CB VAL A 10 -1.516 -6.643 -3.568 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.385 -7.530 -3.072 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.349 -5.218 -3.060 1.00 0.00 C ATOM 0 H VAL A 10 -3.467 -5.750 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.603 -6.403 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.453 -7.037 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.353 -7.504 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.553 -8.554 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.563 -7.169 -3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.303 -5.223 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.427 -4.795 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.196 -4.614 -3.385 1.00 0.00 H new ATOM 229 N ASP A 11 -0.958 -8.902 -5.786 1.00 0.00 N ATOM 230 CA ASP A 11 -1.187 -10.272 -6.231 1.00 0.00 C ATOM 231 C ASP A 11 -0.840 -11.267 -5.127 1.00 0.00 C ATOM 232 O ASP A 11 0.185 -11.133 -4.457 1.00 0.00 O ATOM 233 CB ASP A 11 -0.359 -10.570 -7.482 1.00 0.00 C ATOM 234 CG ASP A 11 -0.711 -11.908 -8.104 1.00 0.00 C ATOM 235 OD1 ASP A 11 -1.913 -12.162 -8.323 1.00 0.00 O ATOM 236 OD2 ASP A 11 0.217 -12.701 -8.368 1.00 0.00 O ATOM 0 H ASP A 11 0.024 -8.658 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.245 -10.378 -6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.516 -9.779 -8.215 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.700 -10.560 -7.224 1.00 0.00 H new ATOM 241 N ILE A 12 -1.700 -12.262 -4.943 1.00 0.00 N ATOM 242 CA ILE A 12 -1.484 -13.279 -3.921 1.00 0.00 C ATOM 243 C ILE A 12 -1.427 -14.673 -4.535 1.00 0.00 C ATOM 244 O ILE A 12 -2.256 -15.047 -5.367 1.00 0.00 O ATOM 245 CB ILE A 12 -2.592 -13.246 -2.851 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.536 -11.933 -2.067 1.00 0.00 C ATOM 247 CG2 ILE A 12 -2.459 -14.436 -1.914 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.780 -11.664 -1.249 1.00 0.00 C ATOM 0 H ILE A 12 -2.553 -12.386 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.528 -13.054 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.560 -13.308 -3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.672 -11.952 -1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.384 -11.109 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.249 -14.398 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.545 -15.360 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.488 -14.404 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.670 -10.717 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.646 -11.612 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.922 -12.468 -0.527 1.00 0.00 H new ATOM 260 N PRO A 13 -0.429 -15.464 -4.115 1.00 0.00 N ATOM 261 CA PRO A 13 -0.242 -16.832 -4.611 1.00 0.00 C ATOM 262 C PRO A 13 -1.330 -17.780 -4.120 1.00 0.00 C ATOM 263 O PRO A 13 -2.324 -17.349 -3.536 1.00 0.00 O ATOM 264 CB PRO A 13 1.118 -17.234 -4.033 1.00 0.00 C ATOM 265 CG PRO A 13 1.279 -16.388 -2.818 1.00 0.00 C ATOM 266 CD PRO A 13 0.593 -15.085 -3.126 1.00 0.00 C ATOM 0 HA PRO A 13 -0.291 -16.882 -5.699 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.144 -18.295 -3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.921 -17.056 -4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.833 -16.867 -1.947 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.333 -16.230 -2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.146 -14.645 -2.234 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.289 -14.350 -3.529 1.00 0.00 H new ATOM 274 N GLU A 14 -1.134 -19.073 -4.360 1.00 0.00 N ATOM 275 CA GLU A 14 -2.102 -20.081 -3.942 1.00 0.00 C ATOM 276 C GLU A 14 -1.612 -20.822 -2.700 1.00 0.00 C ATOM 277 O GLU A 14 -2.398 -21.439 -1.983 1.00 0.00 O ATOM 278 CB GLU A 14 -2.357 -21.076 -5.075 1.00 0.00 C ATOM 279 CG GLU A 14 -1.143 -21.919 -5.430 1.00 0.00 C ATOM 280 CD GLU A 14 -0.975 -23.114 -4.512 1.00 0.00 C ATOM 281 OE1 GLU A 14 -1.768 -24.071 -4.632 1.00 0.00 O ATOM 282 OE2 GLU A 14 -0.049 -23.092 -3.673 1.00 0.00 O ATOM 0 H GLU A 14 -0.316 -19.447 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.035 -19.573 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.176 -21.736 -4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.681 -20.530 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.235 -22.266 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.248 -21.299 -5.381 1.00 0.00 H new ATOM 289 N ASN A 15 -0.308 -20.756 -2.454 1.00 0.00 N ATOM 290 CA ASN A 15 0.287 -21.421 -1.301 1.00 0.00 C ATOM 291 C ASN A 15 0.249 -20.518 -0.072 1.00 0.00 C ATOM 292 O ASN A 15 0.828 -20.838 0.965 1.00 0.00 O ATOM 293 CB ASN A 15 1.731 -21.824 -1.607 1.00 0.00 C ATOM 294 CG ASN A 15 2.688 -20.650 -1.526 1.00 0.00 C ATOM 295 OD1 ASN A 15 2.543 -19.665 -2.250 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.674 -20.751 -0.642 1.00 0.00 N ATOM 0 H ASN A 15 0.357 -20.249 -3.038 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.296 -22.317 -1.089 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.047 -22.596 -0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.780 -22.261 -2.604 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.350 -19.993 -0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.756 -21.586 -0.062 1.00 0.00 H new ATOM 303 N VAL A 16 -0.438 -19.386 -0.198 1.00 0.00 N ATOM 304 CA VAL A 16 -0.553 -18.436 0.902 1.00 0.00 C ATOM 305 C VAL A 16 -2.006 -18.034 1.131 1.00 0.00 C ATOM 306 O VAL A 16 -2.778 -17.893 0.182 1.00 0.00 O ATOM 307 CB VAL A 16 0.283 -17.170 0.641 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.263 -16.256 1.856 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.711 -17.543 0.268 1.00 0.00 C ATOM 0 H VAL A 16 -0.923 -19.105 -1.050 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.172 -18.936 1.793 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.159 -16.630 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.859 -15.367 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.764 -15.962 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.679 -16.783 2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.288 -16.636 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.165 -18.105 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.703 -18.155 -0.634 1.00 0.00 H new ATOM 319 N ASP A 17 -2.372 -17.851 2.395 1.00 0.00 N ATOM 320 CA ASP A 17 -3.732 -17.462 2.748 1.00 0.00 C ATOM 321 C ASP A 17 -3.742 -16.127 3.486 1.00 0.00 C ATOM 322 O ASP A 17 -3.026 -15.946 4.471 1.00 0.00 O ATOM 323 CB ASP A 17 -4.384 -18.542 3.614 1.00 0.00 C ATOM 324 CG ASP A 17 -5.060 -19.617 2.786 1.00 0.00 C ATOM 325 OD1 ASP A 17 -4.345 -20.363 2.084 1.00 0.00 O ATOM 326 OD2 ASP A 17 -6.303 -19.714 2.841 1.00 0.00 O ATOM 0 H ASP A 17 -1.746 -17.966 3.192 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.303 -17.351 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.627 -19.000 4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.118 -18.080 4.274 1.00 0.00 H new ATOM 331 N ILE A 18 -4.556 -15.195 3.001 1.00 0.00 N ATOM 332 CA ILE A 18 -4.659 -13.877 3.615 1.00 0.00 C ATOM 333 C ILE A 18 -6.100 -13.560 4.000 1.00 0.00 C ATOM 334 O ILE A 18 -7.021 -13.739 3.203 1.00 0.00 O ATOM 335 CB ILE A 18 -4.137 -12.777 2.672 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.671 -13.031 2.317 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.302 -11.407 3.316 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.471 -14.200 1.378 1.00 0.00 C ATOM 0 H ILE A 18 -5.153 -15.328 2.185 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.043 -13.898 4.514 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.722 -12.799 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.255 -12.133 1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.109 -13.211 3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.929 -10.639 2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.357 -11.227 3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.738 -11.373 4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.408 -14.322 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.856 -15.109 1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.004 -14.013 0.446 1.00 0.00 H new ATOM 350 N THR A 19 -6.287 -13.087 5.228 1.00 0.00 N ATOM 351 CA THR A 19 -7.616 -12.744 5.719 1.00 0.00 C ATOM 352 C THR A 19 -7.781 -11.234 5.850 1.00 0.00 C ATOM 353 O THR A 19 -7.009 -10.573 6.547 1.00 0.00 O ATOM 354 CB THR A 19 -7.896 -13.400 7.084 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.672 -14.812 7.005 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.327 -13.134 7.529 1.00 0.00 C ATOM 0 H THR A 19 -5.536 -12.933 5.900 1.00 0.00 H new ATOM 0 HA THR A 19 -8.331 -13.123 4.988 1.00 0.00 H new ATOM 0 HB THR A 19 -7.216 -12.965 7.817 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.851 -15.221 7.878 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.501 -13.607 8.495 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.487 -12.059 7.617 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.019 -13.545 6.794 1.00 0.00 H new ATOM 364 N LEU A 20 -8.792 -10.694 5.179 1.00 0.00 N ATOM 365 CA LEU A 20 -9.059 -9.260 5.221 1.00 0.00 C ATOM 366 C LEU A 20 -10.232 -8.953 6.145 1.00 0.00 C ATOM 367 O LEU A 20 -11.348 -9.426 5.928 1.00 0.00 O ATOM 368 CB LEU A 20 -9.350 -8.734 3.815 1.00 0.00 C ATOM 369 CG LEU A 20 -8.195 -8.817 2.814 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.674 -8.459 1.416 1.00 0.00 C ATOM 371 CD2 LEU A 20 -7.055 -7.905 3.240 1.00 0.00 C ATOM 0 H LEU A 20 -9.440 -11.227 4.599 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.172 -8.761 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.196 -9.288 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.660 -7.692 3.896 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.826 -9.843 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.839 -8.523 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.457 -9.153 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.070 -7.443 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.242 -7.976 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.410 -6.876 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.694 -8.208 4.223 1.00 0.00 H new ATOM 383 N LYS A 21 -9.975 -8.153 7.174 1.00 0.00 N ATOM 384 CA LYS A 21 -11.009 -7.778 8.130 1.00 0.00 C ATOM 385 C LYS A 21 -11.027 -6.269 8.348 1.00 0.00 C ATOM 386 O LYS A 21 -10.189 -5.725 9.066 1.00 0.00 O ATOM 387 CB LYS A 21 -10.785 -8.494 9.464 1.00 0.00 C ATOM 388 CG LYS A 21 -11.331 -9.910 9.494 1.00 0.00 C ATOM 389 CD LYS A 21 -11.477 -10.423 10.918 1.00 0.00 C ATOM 390 CE LYS A 21 -11.683 -11.929 10.949 1.00 0.00 C ATOM 391 NZ LYS A 21 -12.004 -12.415 12.320 1.00 0.00 N ATOM 0 H LYS A 21 -9.058 -7.751 7.367 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.973 -8.080 7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.716 -8.521 9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.254 -7.916 10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.300 -9.938 8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.666 -10.569 8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.587 -10.164 11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.321 -9.929 11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.491 -12.199 10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.783 -12.427 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.137 -13.446 12.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.222 -12.179 12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.877 -11.959 12.654 1.00 0.00 H new ATOM 405 N GLY A 22 -11.991 -5.596 7.725 1.00 0.00 N ATOM 406 CA GLY A 22 -12.100 -4.156 7.865 1.00 0.00 C ATOM 407 C GLY A 22 -10.893 -3.426 7.312 1.00 0.00 C ATOM 408 O GLY A 22 -10.714 -3.340 6.096 1.00 0.00 O ATOM 0 H GLY A 22 -12.698 -6.023 7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.997 -3.811 7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.221 -3.905 8.919 1.00 0.00 H new ATOM 412 N ARG A 23 -10.062 -2.899 8.205 1.00 0.00 N ATOM 413 CA ARG A 23 -8.866 -2.171 7.799 1.00 0.00 C ATOM 414 C ARG A 23 -7.605 -2.897 8.258 1.00 0.00 C ATOM 415 O ARG A 23 -6.536 -2.295 8.378 1.00 0.00 O ATOM 416 CB ARG A 23 -8.887 -0.752 8.372 1.00 0.00 C ATOM 417 CG ARG A 23 -10.058 0.085 7.884 1.00 0.00 C ATOM 418 CD ARG A 23 -9.704 1.563 7.834 1.00 0.00 C ATOM 419 NE ARG A 23 -10.876 2.413 8.022 1.00 0.00 N ATOM 420 CZ ARG A 23 -11.766 2.660 7.068 1.00 0.00 C ATOM 421 NH1 ARG A 23 -11.619 2.122 5.865 1.00 0.00 N ATOM 422 NH2 ARG A 23 -12.807 3.445 7.316 1.00 0.00 N ATOM 0 H ARG A 23 -10.195 -2.963 9.214 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.857 -2.116 6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.921 -0.809 9.460 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.957 -0.249 8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.359 -0.252 6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.913 -0.063 8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.967 1.786 8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.240 1.792 6.875 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.019 2.841 8.937 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.821 1.517 5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.304 2.313 5.134 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.924 3.860 8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.490 3.634 6.582 1.00 0.00 H new ATOM 436 N THR A 24 -7.736 -4.195 8.513 1.00 0.00 N ATOM 437 CA THR A 24 -6.609 -5.003 8.960 1.00 0.00 C ATOM 438 C THR A 24 -6.292 -6.107 7.958 1.00 0.00 C ATOM 439 O THR A 24 -7.173 -6.867 7.557 1.00 0.00 O ATOM 440 CB THR A 24 -6.883 -5.639 10.336 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.135 -4.616 11.306 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.705 -6.489 10.785 1.00 0.00 C ATOM 0 H THR A 24 -8.612 -4.709 8.417 1.00 0.00 H new ATOM 0 HA THR A 24 -5.753 -4.333 9.042 1.00 0.00 H new ATOM 0 HB THR A 24 -7.760 -6.280 10.246 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.407 -4.600 11.962 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.923 -6.927 11.759 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.533 -7.284 10.060 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.814 -5.866 10.859 1.00 0.00 H new ATOM 450 N VAL A 25 -5.028 -6.192 7.556 1.00 0.00 N ATOM 451 CA VAL A 25 -4.595 -7.205 6.601 1.00 0.00 C ATOM 452 C VAL A 25 -3.814 -8.315 7.295 1.00 0.00 C ATOM 453 O VAL A 25 -2.763 -8.072 7.889 1.00 0.00 O ATOM 454 CB VAL A 25 -3.719 -6.592 5.492 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.209 -7.676 4.555 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.497 -5.534 4.723 1.00 0.00 C ATOM 0 H VAL A 25 -4.285 -5.571 7.877 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.496 -7.624 6.152 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.858 -6.111 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.592 -7.225 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.614 -8.394 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.055 -8.187 4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.863 -5.111 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.377 -5.988 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.808 -4.743 5.406 1.00 0.00 H new ATOM 466 N ILE A 26 -4.334 -9.535 7.215 1.00 0.00 N ATOM 467 CA ILE A 26 -3.685 -10.684 7.833 1.00 0.00 C ATOM 468 C ILE A 26 -3.100 -11.619 6.780 1.00 0.00 C ATOM 469 O ILE A 26 -3.782 -12.007 5.831 1.00 0.00 O ATOM 470 CB ILE A 26 -4.665 -11.476 8.719 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.262 -10.568 9.794 1.00 0.00 C ATOM 472 CG2 ILE A 26 -3.962 -12.667 9.353 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.535 -11.111 10.406 1.00 0.00 C ATOM 0 H ILE A 26 -5.203 -9.753 6.728 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.880 -10.293 8.455 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.477 -11.849 8.094 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.524 -10.419 10.583 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.466 -9.590 9.359 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.668 -13.217 9.976 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.581 -13.323 8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.133 -12.315 9.967 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.902 -10.415 11.160 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.289 -11.234 9.628 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.332 -12.076 10.871 1.00 0.00 H new ATOM 485 N VAL A 27 -1.832 -11.978 6.953 1.00 0.00 N ATOM 486 CA VAL A 27 -1.155 -12.870 6.020 1.00 0.00 C ATOM 487 C VAL A 27 -0.702 -14.150 6.713 1.00 0.00 C ATOM 488 O VAL A 27 -0.114 -14.109 7.793 1.00 0.00 O ATOM 489 CB VAL A 27 0.066 -12.187 5.376 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.771 -13.140 4.422 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.353 -10.914 4.656 1.00 0.00 C ATOM 0 H VAL A 27 -1.253 -11.664 7.732 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.875 -13.119 5.241 1.00 0.00 H new ATOM 0 HB VAL A 27 0.767 -11.917 6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.631 -12.639 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.107 -14.020 4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.081 -13.444 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.523 -10.445 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.074 -11.158 3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.808 -10.226 5.368 1.00 0.00 H new ATOM 501 N LYS A 28 -0.978 -15.287 6.083 1.00 0.00 N ATOM 502 CA LYS A 28 -0.599 -16.581 6.637 1.00 0.00 C ATOM 503 C LYS A 28 0.211 -17.388 5.627 1.00 0.00 C ATOM 504 O LYS A 28 -0.249 -17.652 4.516 1.00 0.00 O ATOM 505 CB LYS A 28 -1.844 -17.366 7.053 1.00 0.00 C ATOM 506 CG LYS A 28 -1.604 -18.320 8.211 1.00 0.00 C ATOM 507 CD LYS A 28 -2.889 -19.004 8.645 1.00 0.00 C ATOM 508 CE LYS A 28 -3.271 -20.129 7.696 1.00 0.00 C ATOM 509 NZ LYS A 28 -4.702 -20.513 7.839 1.00 0.00 N ATOM 0 H LYS A 28 -1.463 -15.338 5.187 1.00 0.00 H new ATOM 0 HA LYS A 28 0.021 -16.405 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.630 -16.664 7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.209 -17.933 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.871 -19.072 7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.180 -17.773 9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.768 -19.402 9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.696 -18.272 8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.079 -19.819 6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.641 -20.997 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.923 -21.283 7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.880 -20.833 8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.304 -19.692 7.629 1.00 0.00 H new ATOM 523 N GLY A 29 1.420 -17.779 6.020 1.00 0.00 N ATOM 524 CA GLY A 29 2.273 -18.552 5.139 1.00 0.00 C ATOM 525 C GLY A 29 2.808 -19.806 5.802 1.00 0.00 C ATOM 526 O GLY A 29 2.766 -19.954 7.024 1.00 0.00 O ATOM 0 H GLY A 29 1.823 -17.573 6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.712 -18.828 4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.109 -17.933 4.812 1.00 0.00 H new ATOM 530 N PRO A 30 3.321 -20.739 4.986 1.00 0.00 N ATOM 531 CA PRO A 30 3.875 -22.003 5.480 1.00 0.00 C ATOM 532 C PRO A 30 5.182 -21.807 6.240 1.00 0.00 C ATOM 533 O PRO A 30 5.804 -22.773 6.684 1.00 0.00 O ATOM 534 CB PRO A 30 4.117 -22.808 4.200 1.00 0.00 C ATOM 535 CG PRO A 30 4.291 -21.781 3.134 1.00 0.00 C ATOM 536 CD PRO A 30 3.403 -20.630 3.520 1.00 0.00 C ATOM 0 HA PRO A 30 3.206 -22.491 6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.001 -23.439 4.290 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.277 -23.467 3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.332 -21.464 3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.012 -22.180 2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.827 -19.674 3.211 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.420 -20.708 3.056 1.00 0.00 H new ATOM 544 N ARG A 31 5.593 -20.552 6.388 1.00 0.00 N ATOM 545 CA ARG A 31 6.827 -20.230 7.095 1.00 0.00 C ATOM 546 C ARG A 31 6.544 -19.351 8.309 1.00 0.00 C ATOM 547 O ARG A 31 7.429 -19.098 9.124 1.00 0.00 O ATOM 548 CB ARG A 31 7.807 -19.523 6.157 1.00 0.00 C ATOM 549 CG ARG A 31 7.842 -20.112 4.755 1.00 0.00 C ATOM 550 CD ARG A 31 8.828 -21.265 4.661 1.00 0.00 C ATOM 551 NE ARG A 31 8.303 -22.485 5.268 1.00 0.00 N ATOM 552 CZ ARG A 31 9.002 -23.610 5.379 1.00 0.00 C ATOM 553 NH1 ARG A 31 10.245 -23.669 4.926 1.00 0.00 N ATOM 554 NH2 ARG A 31 8.454 -24.679 5.945 1.00 0.00 N ATOM 0 H ARG A 31 5.090 -19.741 6.028 1.00 0.00 H new ATOM 0 HA ARG A 31 7.273 -21.163 7.440 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.538 -18.469 6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.807 -19.571 6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.846 -20.460 4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.117 -19.337 4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.066 -21.454 3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.759 -20.987 5.154 1.00 0.00 H new ATOM 0 HE ARG A 31 7.348 -22.473 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.669 -22.850 4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.779 -24.534 5.013 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.497 -24.637 6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.990 -25.542 6.030 1.00 0.00 H new ATOM 568 N GLY A 32 5.303 -18.887 8.421 1.00 0.00 N ATOM 569 CA GLY A 32 4.925 -18.041 9.538 1.00 0.00 C ATOM 570 C GLY A 32 3.664 -17.247 9.264 1.00 0.00 C ATOM 571 O GLY A 32 3.108 -17.309 8.167 1.00 0.00 O ATOM 0 H GLY A 32 4.553 -19.082 7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.776 -18.659 10.423 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.741 -17.354 9.762 1.00 0.00 H new ATOM 575 N THR A 33 3.209 -16.497 10.264 1.00 0.00 N ATOM 576 CA THR A 33 2.003 -15.690 10.126 1.00 0.00 C ATOM 577 C THR A 33 2.276 -14.231 10.474 1.00 0.00 C ATOM 578 O THR A 33 2.716 -13.918 11.581 1.00 0.00 O ATOM 579 CB THR A 33 0.869 -16.217 11.025 1.00 0.00 C ATOM 580 OG1 THR A 33 0.690 -17.622 10.817 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.434 -15.487 10.735 1.00 0.00 C ATOM 0 H THR A 33 3.658 -16.432 11.178 1.00 0.00 H new ATOM 0 HA THR A 33 1.692 -15.760 9.084 1.00 0.00 H new ATOM 0 HB THR A 33 1.146 -16.037 12.064 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.032 -17.949 11.394 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.221 -15.876 11.382 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.304 -14.421 10.923 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.713 -15.640 9.692 1.00 0.00 H new ATOM 589 N LEU A 34 2.013 -13.342 9.523 1.00 0.00 N ATOM 590 CA LEU A 34 2.230 -11.914 9.729 1.00 0.00 C ATOM 591 C LEU A 34 0.980 -11.117 9.369 1.00 0.00 C ATOM 592 O LEU A 34 0.343 -11.370 8.347 1.00 0.00 O ATOM 593 CB LEU A 34 3.415 -11.433 8.892 1.00 0.00 C ATOM 594 CG LEU A 34 4.683 -12.284 8.970 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.696 -11.831 7.929 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.284 -12.220 10.366 1.00 0.00 C ATOM 0 H LEU A 34 1.649 -13.584 8.601 1.00 0.00 H new ATOM 0 HA LEU A 34 2.450 -11.752 10.784 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.100 -11.381 7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.664 -10.418 9.201 1.00 0.00 H new ATOM 0 HG LEU A 34 4.415 -13.319 8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.592 -12.448 8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.264 -11.931 6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.959 -10.788 8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.186 -12.832 10.402 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.536 -11.187 10.607 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.561 -12.595 11.091 1.00 0.00 H new ATOM 608 N ARG A 35 0.638 -10.150 10.215 1.00 0.00 N ATOM 609 CA ARG A 35 -0.534 -9.314 9.986 1.00 0.00 C ATOM 610 C ARG A 35 -0.234 -7.854 10.315 1.00 0.00 C ATOM 611 O ARG A 35 0.615 -7.560 11.156 1.00 0.00 O ATOM 612 CB ARG A 35 -1.712 -9.806 10.830 1.00 0.00 C ATOM 613 CG ARG A 35 -1.482 -9.678 12.327 1.00 0.00 C ATOM 614 CD ARG A 35 -2.292 -10.704 13.104 1.00 0.00 C ATOM 615 NE ARG A 35 -2.345 -10.395 14.530 1.00 0.00 N ATOM 616 CZ ARG A 35 -3.056 -9.393 15.039 1.00 0.00 C ATOM 617 NH1 ARG A 35 -3.769 -8.611 14.241 1.00 0.00 N ATOM 618 NH2 ARG A 35 -3.053 -9.175 16.347 1.00 0.00 N ATOM 0 H ARG A 35 1.156 -9.927 11.065 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.798 -9.384 8.931 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.604 -9.242 10.558 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.910 -10.850 10.589 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.422 -9.808 12.546 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.754 -8.674 12.654 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.305 -10.744 12.704 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.855 -11.693 12.964 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.808 -10.979 15.170 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.773 -8.777 13.235 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.314 -7.843 14.633 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.505 -9.776 16.963 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.598 -8.406 16.737 1.00 0.00 H new ATOM 632 N ARG A 36 -0.937 -6.946 9.646 1.00 0.00 N ATOM 633 CA ARG A 36 -0.743 -5.518 9.865 1.00 0.00 C ATOM 634 C ARG A 36 -2.085 -4.805 10.011 1.00 0.00 C ATOM 635 O ARG A 36 -3.067 -5.169 9.364 1.00 0.00 O ATOM 636 CB ARG A 36 0.050 -4.905 8.710 1.00 0.00 C ATOM 637 CG ARG A 36 0.840 -3.668 9.104 1.00 0.00 C ATOM 638 CD ARG A 36 2.186 -4.036 9.708 1.00 0.00 C ATOM 639 NE ARG A 36 2.972 -4.888 8.818 1.00 0.00 N ATOM 640 CZ ARG A 36 4.189 -5.330 9.110 1.00 0.00 C ATOM 641 NH1 ARG A 36 4.759 -5.003 10.263 1.00 0.00 N ATOM 642 NH2 ARG A 36 4.841 -6.101 8.249 1.00 0.00 N ATOM 0 H ARG A 36 -1.645 -7.174 8.948 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.180 -5.390 10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.736 -5.653 8.314 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.638 -4.646 7.905 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.993 -3.038 8.228 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.266 -3.082 9.821 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.746 -3.127 9.927 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.029 -4.550 10.656 1.00 0.00 H new ATOM 0 HE ARG A 36 2.563 -5.158 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.262 -4.410 10.928 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.694 -5.344 10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.407 -6.355 7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.776 -6.440 8.475 1.00 0.00 H new ATOM 656 N ASP A 37 -2.118 -3.787 10.864 1.00 0.00 N ATOM 657 CA ASP A 37 -3.338 -3.022 11.095 1.00 0.00 C ATOM 658 C ASP A 37 -3.185 -1.591 10.588 1.00 0.00 C ATOM 659 O ASP A 37 -2.224 -0.902 10.925 1.00 0.00 O ATOM 660 CB ASP A 37 -3.688 -3.014 12.583 1.00 0.00 C ATOM 661 CG ASP A 37 -5.099 -2.527 12.844 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.418 -1.390 12.440 1.00 0.00 O ATOM 663 OD2 ASP A 37 -5.886 -3.283 13.454 1.00 0.00 O ATOM 0 H ASP A 37 -1.314 -3.472 11.407 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.147 -3.500 10.543 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.574 -4.021 12.985 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.982 -2.376 13.116 1.00 0.00 H new ATOM 668 N PHE A 38 -4.142 -1.152 9.776 1.00 0.00 N ATOM 669 CA PHE A 38 -4.113 0.197 9.221 1.00 0.00 C ATOM 670 C PHE A 38 -5.429 0.922 9.486 1.00 0.00 C ATOM 671 O PHE A 38 -5.944 1.631 8.622 1.00 0.00 O ATOM 672 CB PHE A 38 -3.839 0.146 7.716 1.00 0.00 C ATOM 673 CG PHE A 38 -2.715 -0.777 7.342 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.401 -0.341 7.381 1.00 0.00 C ATOM 675 CD2 PHE A 38 -2.973 -2.082 6.953 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.364 -1.187 7.036 1.00 0.00 C ATOM 677 CE2 PHE A 38 -1.940 -2.934 6.607 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.635 -2.487 6.650 1.00 0.00 C ATOM 0 H PHE A 38 -4.946 -1.710 9.488 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.310 0.748 9.711 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.746 -0.171 7.200 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.606 1.151 7.363 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.184 0.672 7.685 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.992 -2.438 6.920 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.656 -0.834 7.068 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.154 -3.948 6.303 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.173 -3.151 6.383 1.00 0.00 H new ATOM 688 N ASN A 39 -5.967 0.738 10.687 1.00 0.00 N ATOM 689 CA ASN A 39 -7.224 1.374 11.066 1.00 0.00 C ATOM 690 C ASN A 39 -7.013 2.852 11.382 1.00 0.00 C ATOM 691 O ASN A 39 -7.644 3.723 10.782 1.00 0.00 O ATOM 692 CB ASN A 39 -7.833 0.665 12.278 1.00 0.00 C ATOM 693 CG ASN A 39 -8.579 -0.599 11.892 1.00 0.00 C ATOM 694 OD1 ASN A 39 -7.981 -1.663 11.737 1.00 0.00 O ATOM 695 ND2 ASN A 39 -9.893 -0.485 11.736 1.00 0.00 N ATOM 0 H ASN A 39 -5.553 0.154 11.414 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.911 1.295 10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.042 0.416 12.985 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.515 1.345 12.789 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.448 -1.300 11.477 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.347 0.418 11.875 1.00 0.00 H new ATOM 702 N HIS A 40 -6.120 3.127 12.328 1.00 0.00 N ATOM 703 CA HIS A 40 -5.824 4.500 12.723 1.00 0.00 C ATOM 704 C HIS A 40 -5.738 5.410 11.501 1.00 0.00 C ATOM 705 O HIS A 40 -5.977 6.614 11.595 1.00 0.00 O ATOM 706 CB HIS A 40 -4.514 4.556 13.508 1.00 0.00 C ATOM 707 CG HIS A 40 -3.325 4.089 12.725 1.00 0.00 C ATOM 708 ND1 HIS A 40 -3.254 2.844 12.135 1.00 0.00 N ATOM 709 CD2 HIS A 40 -2.157 4.708 12.434 1.00 0.00 C ATOM 710 CE1 HIS A 40 -2.094 2.717 11.517 1.00 0.00 C ATOM 711 NE2 HIS A 40 -1.410 3.835 11.683 1.00 0.00 N ATOM 0 H HIS A 40 -5.589 2.418 12.835 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.636 4.852 13.360 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.342 5.580 13.838 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.611 3.944 14.405 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.867 5.703 12.736 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.761 1.848 10.969 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.478 4.020 11.313 1.00 0.00 H new ATOM 719 N ILE A 41 -5.395 4.826 10.357 1.00 0.00 N ATOM 720 CA ILE A 41 -5.277 5.585 9.119 1.00 0.00 C ATOM 721 C ILE A 41 -6.566 5.515 8.307 1.00 0.00 C ATOM 722 O ILE A 41 -7.142 4.442 8.129 1.00 0.00 O ATOM 723 CB ILE A 41 -4.111 5.074 8.253 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.896 4.760 9.130 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.751 6.099 7.189 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.886 3.856 8.460 1.00 0.00 C ATOM 0 H ILE A 41 -5.194 3.830 10.263 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.083 6.620 9.401 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.424 4.157 7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.408 5.694 9.408 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.236 4.291 10.053 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.925 5.722 6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.615 6.279 6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.454 7.032 7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.052 3.676 9.139 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.359 2.907 8.206 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.518 4.332 7.551 1.00 0.00 H new ATOM 738 N ASN A 42 -7.013 6.667 7.816 1.00 0.00 N ATOM 739 CA ASN A 42 -8.234 6.736 7.021 1.00 0.00 C ATOM 740 C ASN A 42 -7.919 6.650 5.530 1.00 0.00 C ATOM 741 O ASN A 42 -7.912 7.661 4.827 1.00 0.00 O ATOM 742 CB ASN A 42 -8.990 8.033 7.321 1.00 0.00 C ATOM 743 CG ASN A 42 -8.109 9.260 7.180 1.00 0.00 C ATOM 744 OD1 ASN A 42 -7.989 9.830 6.095 1.00 0.00 O ATOM 745 ND2 ASN A 42 -7.490 9.672 8.279 1.00 0.00 N ATOM 0 H ASN A 42 -6.548 7.564 7.955 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.862 5.887 7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.840 8.120 6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.391 7.991 8.334 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.885 10.493 8.246 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.619 9.168 9.156 1.00 0.00 H new ATOM 752 N VAL A 43 -7.659 5.436 5.055 1.00 0.00 N ATOM 753 CA VAL A 43 -7.344 5.218 3.649 1.00 0.00 C ATOM 754 C VAL A 43 -8.458 4.446 2.950 1.00 0.00 C ATOM 755 O VAL A 43 -9.501 4.171 3.541 1.00 0.00 O ATOM 756 CB VAL A 43 -6.020 4.449 3.483 1.00 0.00 C ATOM 757 CG1 VAL A 43 -4.869 5.230 4.098 1.00 0.00 C ATOM 758 CG2 VAL A 43 -6.126 3.064 4.101 1.00 0.00 C ATOM 0 H VAL A 43 -7.660 4.589 5.623 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.244 6.202 3.191 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.820 4.331 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.942 4.671 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.780 6.197 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.059 5.382 5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.181 2.536 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.350 3.156 5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.923 2.506 3.609 1.00 0.00 H new ATOM 768 N GLU A 44 -8.228 4.098 1.688 1.00 0.00 N ATOM 769 CA GLU A 44 -9.213 3.358 0.908 1.00 0.00 C ATOM 770 C GLU A 44 -8.680 1.980 0.525 1.00 0.00 C ATOM 771 O GLU A 44 -7.540 1.845 0.080 1.00 0.00 O ATOM 772 CB GLU A 44 -9.591 4.138 -0.352 1.00 0.00 C ATOM 773 CG GLU A 44 -10.692 5.162 -0.127 1.00 0.00 C ATOM 774 CD GLU A 44 -11.888 4.581 0.602 1.00 0.00 C ATOM 775 OE1 GLU A 44 -11.866 4.556 1.851 1.00 0.00 O ATOM 776 OE2 GLU A 44 -12.846 4.151 -0.074 1.00 0.00 O ATOM 0 H GLU A 44 -7.369 4.317 1.184 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.102 3.227 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.706 4.647 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.911 3.436 -1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.293 5.999 0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.015 5.560 -1.089 1.00 0.00 H new ATOM 783 N LEU A 45 -9.513 0.960 0.702 1.00 0.00 N ATOM 784 CA LEU A 45 -9.126 -0.409 0.376 1.00 0.00 C ATOM 785 C LEU A 45 -10.286 -1.165 -0.262 1.00 0.00 C ATOM 786 O LEU A 45 -11.452 -0.888 0.023 1.00 0.00 O ATOM 787 CB LEU A 45 -8.657 -1.140 1.635 1.00 0.00 C ATOM 788 CG LEU A 45 -7.645 -0.395 2.507 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.500 -1.077 3.858 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.298 -0.307 1.805 1.00 0.00 C ATOM 0 H LEU A 45 -10.460 1.055 1.069 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.305 -0.368 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.531 -1.370 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.218 -2.092 1.336 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.013 0.618 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.776 -0.533 4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.464 -1.087 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.156 -2.101 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.591 0.226 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.924 -1.312 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.413 0.228 0.862 1.00 0.00 H new ATOM 802 N SER A 46 -9.959 -2.120 -1.126 1.00 0.00 N ATOM 803 CA SER A 46 -10.974 -2.916 -1.806 1.00 0.00 C ATOM 804 C SER A 46 -10.460 -4.323 -2.094 1.00 0.00 C ATOM 805 O SER A 46 -9.252 -4.560 -2.129 1.00 0.00 O ATOM 806 CB SER A 46 -11.395 -2.237 -3.112 1.00 0.00 C ATOM 807 OG SER A 46 -11.461 -0.831 -2.956 1.00 0.00 O ATOM 0 H SER A 46 -8.999 -2.362 -1.372 1.00 0.00 H new ATOM 0 HA SER A 46 -11.840 -2.993 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.685 -2.486 -3.901 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.367 -2.617 -3.427 1.00 0.00 H new ATOM 0 HG SER A 46 -11.730 -0.420 -3.804 1.00 0.00 H new ATOM 813 N LEU A 47 -11.384 -5.254 -2.299 1.00 0.00 N ATOM 814 CA LEU A 47 -11.025 -6.639 -2.585 1.00 0.00 C ATOM 815 C LEU A 47 -11.323 -6.990 -4.039 1.00 0.00 C ATOM 816 O LEU A 47 -12.454 -6.841 -4.506 1.00 0.00 O ATOM 817 CB LEU A 47 -11.786 -7.585 -1.654 1.00 0.00 C ATOM 818 CG LEU A 47 -11.745 -9.068 -2.025 1.00 0.00 C ATOM 819 CD1 LEU A 47 -10.377 -9.659 -1.716 1.00 0.00 C ATOM 820 CD2 LEU A 47 -12.836 -9.832 -1.291 1.00 0.00 C ATOM 0 H LEU A 47 -12.388 -5.076 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.954 -6.754 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.385 -7.472 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.828 -7.268 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 47 -11.924 -9.159 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.367 -10.715 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.615 -9.131 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.168 -9.555 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -12.791 -10.885 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.689 -9.733 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.810 -9.426 -1.563 1.00 0.00 H new ATOM 832 N LEU A 48 -10.304 -7.459 -4.749 1.00 0.00 N ATOM 833 CA LEU A 48 -10.456 -7.835 -6.151 1.00 0.00 C ATOM 834 C LEU A 48 -10.022 -9.279 -6.378 1.00 0.00 C ATOM 835 O LEU A 48 -9.222 -9.823 -5.620 1.00 0.00 O ATOM 836 CB LEU A 48 -9.638 -6.898 -7.042 1.00 0.00 C ATOM 837 CG LEU A 48 -9.856 -5.401 -6.821 1.00 0.00 C ATOM 838 CD1 LEU A 48 -9.024 -4.589 -7.801 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.331 -5.051 -6.955 1.00 0.00 C ATOM 0 H LEU A 48 -9.363 -7.588 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.510 -7.747 -6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.581 -7.117 -6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.866 -7.128 -8.083 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.534 -5.153 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.193 -3.526 -7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.968 -4.817 -7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.314 -4.841 -8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.467 -3.982 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.678 -5.315 -7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.905 -5.605 -6.213 1.00 0.00 H new ATOM 851 N GLY A 49 -10.555 -9.894 -7.431 1.00 0.00 N ATOM 852 CA GLY A 49 -10.209 -11.268 -7.740 1.00 0.00 C ATOM 853 C GLY A 49 -10.054 -11.506 -9.229 1.00 0.00 C ATOM 854 O GLY A 49 -11.036 -11.498 -9.972 1.00 0.00 O ATOM 0 H GLY A 49 -11.220 -9.464 -8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.279 -11.528 -7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.980 -11.931 -7.348 1.00 0.00 H new ATOM 858 N LYS A 50 -8.818 -11.715 -9.668 1.00 0.00 N ATOM 859 CA LYS A 50 -8.537 -11.956 -11.078 1.00 0.00 C ATOM 860 C LYS A 50 -8.334 -13.443 -11.347 1.00 0.00 C ATOM 861 O LYS A 50 -9.035 -14.039 -12.167 1.00 0.00 O ATOM 862 CB LYS A 50 -7.295 -11.175 -11.512 1.00 0.00 C ATOM 863 CG LYS A 50 -6.915 -11.395 -12.967 1.00 0.00 C ATOM 864 CD LYS A 50 -7.824 -10.619 -13.905 1.00 0.00 C ATOM 865 CE LYS A 50 -7.415 -9.157 -13.993 1.00 0.00 C ATOM 866 NZ LYS A 50 -8.553 -8.286 -14.401 1.00 0.00 N ATOM 0 H LYS A 50 -7.994 -11.722 -9.067 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.395 -11.614 -11.657 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.469 -10.112 -11.348 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.456 -11.462 -10.879 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.881 -11.088 -13.124 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.971 -12.458 -13.202 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.792 -11.067 -14.898 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.854 -10.690 -13.556 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.034 -8.828 -13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.601 -9.050 -14.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.234 -7.297 -14.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.901 -8.584 -15.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.320 -8.368 -13.704 1.00 0.00 H new ATOM 880 N LYS A 51 -7.373 -14.040 -10.649 1.00 0.00 N ATOM 881 CA LYS A 51 -7.079 -15.459 -10.810 1.00 0.00 C ATOM 882 C LYS A 51 -7.369 -16.224 -9.522 1.00 0.00 C ATOM 883 O LYS A 51 -8.068 -17.238 -9.533 1.00 0.00 O ATOM 884 CB LYS A 51 -5.616 -15.656 -11.214 1.00 0.00 C ATOM 885 CG LYS A 51 -5.393 -15.637 -12.717 1.00 0.00 C ATOM 886 CD LYS A 51 -3.922 -15.461 -13.059 1.00 0.00 C ATOM 887 CE LYS A 51 -3.143 -16.749 -12.848 1.00 0.00 C ATOM 888 NZ LYS A 51 -1.704 -16.591 -13.200 1.00 0.00 N ATOM 0 H LYS A 51 -6.785 -13.563 -9.966 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.723 -15.850 -11.598 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.012 -14.873 -10.755 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.262 -16.606 -10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.760 -16.566 -13.152 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.971 -14.827 -13.162 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.824 -15.141 -14.096 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.496 -14.671 -12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.230 -17.060 -11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.580 -17.542 -13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.207 -17.491 -13.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.619 -16.319 -14.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.280 -15.852 -12.603 1.00 0.00 H new ATOM 902 N LYS A 52 -6.829 -15.731 -8.413 1.00 0.00 N ATOM 903 CA LYS A 52 -7.031 -16.366 -7.116 1.00 0.00 C ATOM 904 C LYS A 52 -7.496 -15.348 -6.079 1.00 0.00 C ATOM 905 O LYS A 52 -8.648 -15.373 -5.643 1.00 0.00 O ATOM 906 CB LYS A 52 -5.738 -17.034 -6.645 1.00 0.00 C ATOM 907 CG LYS A 52 -5.520 -18.418 -7.232 1.00 0.00 C ATOM 908 CD LYS A 52 -5.118 -18.346 -8.695 1.00 0.00 C ATOM 909 CE LYS A 52 -4.505 -19.655 -9.170 1.00 0.00 C ATOM 910 NZ LYS A 52 -5.499 -20.764 -9.173 1.00 0.00 N ATOM 0 H LYS A 52 -6.248 -14.893 -8.386 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.805 -17.125 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.893 -16.399 -6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.752 -17.108 -5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.746 -18.936 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.434 -19.004 -7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.992 -18.111 -9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.403 -17.535 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.104 -19.524 -10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.668 -19.919 -8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.043 -21.638 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.864 -20.906 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.286 -20.523 -9.809 1.00 0.00 H new ATOM 924 N LYS A 53 -6.595 -14.453 -5.690 1.00 0.00 N ATOM 925 CA LYS A 53 -6.913 -13.424 -4.707 1.00 0.00 C ATOM 926 C LYS A 53 -6.036 -12.192 -4.905 1.00 0.00 C ATOM 927 O LYS A 53 -4.809 -12.290 -4.936 1.00 0.00 O ATOM 928 CB LYS A 53 -6.731 -13.970 -3.289 1.00 0.00 C ATOM 929 CG LYS A 53 -7.926 -14.760 -2.783 1.00 0.00 C ATOM 930 CD LYS A 53 -7.868 -14.953 -1.276 1.00 0.00 C ATOM 931 CE LYS A 53 -8.943 -15.917 -0.797 1.00 0.00 C ATOM 932 NZ LYS A 53 -10.245 -15.231 -0.576 1.00 0.00 N ATOM 0 H LYS A 53 -5.638 -14.419 -6.041 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.954 -13.133 -4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.848 -14.608 -3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.542 -13.139 -2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.846 -14.240 -3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.955 -15.732 -3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.886 -15.332 -0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.993 -13.991 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.072 -16.712 -1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.620 -16.390 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.951 -15.922 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.129 -14.489 0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.567 -14.801 -1.467 1.00 0.00 H new ATOM 946 N ARG A 54 -6.673 -11.033 -5.037 1.00 0.00 N ATOM 947 CA ARG A 54 -5.949 -9.782 -5.232 1.00 0.00 C ATOM 948 C ARG A 54 -6.425 -8.719 -4.245 1.00 0.00 C ATOM 949 O ARG A 54 -7.607 -8.661 -3.902 1.00 0.00 O ATOM 950 CB ARG A 54 -6.133 -9.279 -6.666 1.00 0.00 C ATOM 951 CG ARG A 54 -5.525 -10.197 -7.715 1.00 0.00 C ATOM 952 CD ARG A 54 -5.114 -9.425 -8.958 1.00 0.00 C ATOM 953 NE ARG A 54 -6.265 -8.876 -9.669 1.00 0.00 N ATOM 954 CZ ARG A 54 -6.190 -7.854 -10.514 1.00 0.00 C ATOM 955 NH1 ARG A 54 -5.022 -7.274 -10.754 1.00 0.00 N ATOM 956 NH2 ARG A 54 -7.283 -7.413 -11.122 1.00 0.00 N ATOM 0 H ARG A 54 -7.688 -10.934 -5.013 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.891 -9.973 -5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.198 -9.165 -6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.683 -8.290 -6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.656 -10.705 -7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.245 -10.969 -7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.443 -8.614 -8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.556 -10.083 -9.625 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.178 -9.301 -9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.179 -7.613 -10.289 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.966 -6.489 -11.403 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.182 -7.859 -10.941 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.224 -6.628 -11.771 1.00 0.00 H new ATOM 970 N LEU A 55 -5.498 -7.883 -3.793 1.00 0.00 N ATOM 971 CA LEU A 55 -5.821 -6.822 -2.844 1.00 0.00 C ATOM 972 C LEU A 55 -5.549 -5.449 -3.449 1.00 0.00 C ATOM 973 O LEU A 55 -4.432 -5.159 -3.876 1.00 0.00 O ATOM 974 CB LEU A 55 -5.011 -6.996 -1.559 1.00 0.00 C ATOM 975 CG LEU A 55 -4.930 -5.772 -0.646 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.293 -5.463 -0.046 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.901 -5.993 0.453 1.00 0.00 C ATOM 0 H LEU A 55 -4.516 -7.918 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.883 -6.890 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.441 -7.820 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.997 -7.290 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.616 -4.917 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.216 -4.589 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.005 -5.261 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.636 -6.317 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.857 -5.112 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.186 -6.860 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.922 -6.166 0.006 1.00 0.00 H new ATOM 989 N ARG A 56 -6.578 -4.608 -3.481 1.00 0.00 N ATOM 990 CA ARG A 56 -6.450 -3.265 -4.033 1.00 0.00 C ATOM 991 C ARG A 56 -6.188 -2.246 -2.928 1.00 0.00 C ATOM 992 O ARG A 56 -7.012 -2.063 -2.030 1.00 0.00 O ATOM 993 CB ARG A 56 -7.715 -2.884 -4.804 1.00 0.00 C ATOM 994 CG ARG A 56 -7.635 -1.519 -5.468 1.00 0.00 C ATOM 995 CD ARG A 56 -8.938 -1.163 -6.168 1.00 0.00 C ATOM 996 NE ARG A 56 -9.145 0.280 -6.237 1.00 0.00 N ATOM 997 CZ ARG A 56 -10.191 0.844 -6.832 1.00 0.00 C ATOM 998 NH1 ARG A 56 -11.118 0.090 -7.404 1.00 0.00 N ATOM 999 NH2 ARG A 56 -10.310 2.166 -6.853 1.00 0.00 N ATOM 0 H ARG A 56 -7.509 -4.833 -3.131 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.601 -3.260 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.907 -3.639 -5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.565 -2.897 -4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.404 -0.762 -4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.819 -1.512 -6.190 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.933 -1.577 -7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.772 -1.624 -5.638 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.449 0.888 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.030 -0.926 -7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.920 0.526 -7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.599 2.749 -6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.113 2.599 -7.310 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.037 -1.585 -2.998 1.00 0.00 N ATOM 1014 CA VAL A 57 -4.668 -0.584 -2.005 1.00 0.00 C ATOM 1015 C VAL A 57 -4.922 0.826 -2.524 1.00 0.00 C ATOM 1016 O VAL A 57 -4.441 1.200 -3.595 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.187 -0.712 -1.603 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -2.806 0.377 -0.611 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -2.909 -2.092 -1.025 1.00 0.00 C ATOM 0 H VAL A 57 -4.344 -1.725 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.292 -0.763 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.575 -0.587 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.756 0.270 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.965 1.355 -1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.423 0.287 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.858 -2.165 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.530 -2.249 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.140 -2.852 -1.771 1.00 0.00 H new ATOM 1029 N ASP A 58 -5.679 1.605 -1.760 1.00 0.00 N ATOM 1030 CA ASP A 58 -5.996 2.976 -2.143 1.00 0.00 C ATOM 1031 C ASP A 58 -5.806 3.926 -0.964 1.00 0.00 C ATOM 1032 O ASP A 58 -5.716 3.497 0.187 1.00 0.00 O ATOM 1033 CB ASP A 58 -7.433 3.065 -2.658 1.00 0.00 C ATOM 1034 CG ASP A 58 -7.653 2.235 -3.907 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -6.877 1.282 -4.129 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -8.599 2.537 -4.664 1.00 0.00 O ATOM 0 H ASP A 58 -6.085 1.311 -0.872 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.314 3.272 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.117 2.730 -1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.676 4.106 -2.870 1.00 0.00 H new ATOM 1041 N LYS A 59 -5.744 5.221 -1.259 1.00 0.00 N ATOM 1042 CA LYS A 59 -5.565 6.233 -0.225 1.00 0.00 C ATOM 1043 C LYS A 59 -6.442 7.452 -0.498 1.00 0.00 C ATOM 1044 O LYS A 59 -6.895 7.661 -1.623 1.00 0.00 O ATOM 1045 CB LYS A 59 -4.097 6.657 -0.147 1.00 0.00 C ATOM 1046 CG LYS A 59 -3.739 7.378 1.142 1.00 0.00 C ATOM 1047 CD LYS A 59 -2.276 7.184 1.503 1.00 0.00 C ATOM 1048 CE LYS A 59 -1.725 8.382 2.262 1.00 0.00 C ATOM 1049 NZ LYS A 59 -1.888 8.226 3.735 1.00 0.00 N ATOM 0 H LYS A 59 -5.815 5.594 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.864 5.798 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.467 5.773 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.870 7.307 -0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.950 8.442 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.367 7.008 1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.166 6.285 2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.694 7.028 0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.669 8.508 2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.236 9.287 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.554 8.942 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.257 7.277 3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.967 8.350 4.201 1.00 0.00 H new ATOM 1063 N TRP A 60 -6.676 8.251 0.536 1.00 0.00 N ATOM 1064 CA TRP A 60 -7.497 9.449 0.407 1.00 0.00 C ATOM 1065 C TRP A 60 -7.065 10.277 -0.799 1.00 0.00 C ATOM 1066 O TRP A 60 -6.073 11.004 -0.740 1.00 0.00 O ATOM 1067 CB TRP A 60 -7.409 10.292 1.680 1.00 0.00 C ATOM 1068 CG TRP A 60 -6.067 10.228 2.343 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -5.653 9.314 3.269 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -4.964 11.117 2.132 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -4.359 9.580 3.646 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -3.913 10.680 2.964 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -4.760 12.236 1.322 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -2.681 11.326 3.006 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -3.537 12.877 1.366 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -2.509 12.420 2.202 1.00 0.00 C ATOM 0 H TRP A 60 -6.309 8.091 1.474 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.531 9.137 0.258 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -7.637 11.330 1.436 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.170 9.955 2.384 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -6.254 8.501 3.649 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.818 9.044 4.325 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -5.545 12.594 0.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.888 10.976 3.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.370 13.745 0.746 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -1.563 12.941 2.212 1.00 0.00 H new ATOM 1087 N TRP A 61 -7.816 10.162 -1.888 1.00 0.00 N ATOM 1088 CA TRP A 61 -7.509 10.902 -3.107 1.00 0.00 C ATOM 1089 C TRP A 61 -7.251 12.373 -2.802 1.00 0.00 C ATOM 1090 O TRP A 61 -8.092 13.051 -2.211 1.00 0.00 O ATOM 1091 CB TRP A 61 -8.657 10.770 -4.110 1.00 0.00 C ATOM 1092 CG TRP A 61 -9.107 9.356 -4.315 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -8.312 8.259 -4.488 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -10.459 8.886 -4.370 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -9.087 7.135 -4.647 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -10.407 7.493 -4.578 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -11.706 9.505 -4.263 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -11.556 6.714 -4.681 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -12.846 8.730 -4.366 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -12.765 7.347 -4.572 1.00 0.00 C ATOM 0 H TRP A 61 -8.640 9.565 -1.952 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.604 10.477 -3.542 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.502 11.366 -3.765 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -8.343 11.186 -5.067 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -7.232 8.273 -4.498 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -8.736 6.188 -4.793 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -11.779 10.571 -4.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.496 5.648 -4.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -13.816 9.199 -4.286 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -13.674 6.769 -4.646 1.00 0.00 H new ATOM 1111 N GLY A 62 -6.083 12.862 -3.208 1.00 0.00 N ATOM 1112 CA GLY A 62 -5.737 14.251 -2.967 1.00 0.00 C ATOM 1113 C GLY A 62 -4.421 14.640 -3.610 1.00 0.00 C ATOM 1114 O GLY A 62 -4.318 14.711 -4.834 1.00 0.00 O ATOM 0 H GLY A 62 -5.371 12.322 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.530 14.892 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.679 14.427 -1.893 1.00 0.00 H new ATOM 1118 N ASN A 63 -3.412 14.892 -2.783 1.00 0.00 N ATOM 1119 CA ASN A 63 -2.095 15.278 -3.278 1.00 0.00 C ATOM 1120 C ASN A 63 -1.306 14.055 -3.735 1.00 0.00 C ATOM 1121 O ASN A 63 -1.821 12.938 -3.740 1.00 0.00 O ATOM 1122 CB ASN A 63 -1.318 16.026 -2.193 1.00 0.00 C ATOM 1123 CG ASN A 63 -2.053 17.256 -1.698 1.00 0.00 C ATOM 1124 OD1 ASN A 63 -3.141 17.157 -1.132 1.00 0.00 O ATOM 1125 ND2 ASN A 63 -1.459 18.425 -1.912 1.00 0.00 N ATOM 0 H ASN A 63 -3.481 14.836 -1.767 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.235 15.938 -4.134 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.133 15.355 -1.354 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.345 16.321 -2.585 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.906 19.288 -1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.556 18.459 -2.386 1.00 0.00 H new ATOM 1132 N ARG A 64 -0.053 14.276 -4.117 1.00 0.00 N ATOM 1133 CA ARG A 64 0.809 13.192 -4.576 1.00 0.00 C ATOM 1134 C ARG A 64 1.430 12.455 -3.394 1.00 0.00 C ATOM 1135 O ARG A 64 2.454 11.784 -3.535 1.00 0.00 O ATOM 1136 CB ARG A 64 1.909 13.738 -5.487 1.00 0.00 C ATOM 1137 CG ARG A 64 1.459 13.958 -6.922 1.00 0.00 C ATOM 1138 CD ARG A 64 2.493 14.741 -7.716 1.00 0.00 C ATOM 1139 NE ARG A 64 1.884 15.508 -8.800 1.00 0.00 N ATOM 1140 CZ ARG A 64 1.091 16.555 -8.603 1.00 0.00 C ATOM 1141 NH1 ARG A 64 0.813 16.958 -7.371 1.00 0.00 N ATOM 1142 NH2 ARG A 64 0.575 17.203 -9.640 1.00 0.00 N ATOM 0 H ARG A 64 0.389 15.195 -4.118 1.00 0.00 H new ATOM 0 HA ARG A 64 0.197 12.488 -5.140 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.271 14.682 -5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.751 13.045 -5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.284 12.995 -7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.510 14.495 -6.929 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.027 15.418 -7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.231 14.053 -8.129 1.00 0.00 H new ATOM 0 HE ARG A 64 2.078 15.224 -9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.208 16.464 -6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.204 17.762 -7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.787 16.897 -10.590 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.034 18.007 -9.487 1.00 0.00 H new ATOM 1156 N LYS A 65 0.807 12.584 -2.228 1.00 0.00 N ATOM 1157 CA LYS A 65 1.298 11.931 -1.020 1.00 0.00 C ATOM 1158 C LYS A 65 0.903 10.457 -1.000 1.00 0.00 C ATOM 1159 O LYS A 65 1.642 9.614 -0.493 1.00 0.00 O ATOM 1160 CB LYS A 65 0.750 12.634 0.224 1.00 0.00 C ATOM 1161 CG LYS A 65 1.237 12.027 1.529 1.00 0.00 C ATOM 1162 CD LYS A 65 2.675 12.416 1.823 1.00 0.00 C ATOM 1163 CE LYS A 65 3.267 11.563 2.935 1.00 0.00 C ATOM 1164 NZ LYS A 65 4.704 11.875 3.168 1.00 0.00 N ATOM 0 H LYS A 65 -0.040 13.136 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 65 2.386 11.998 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.036 13.685 0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.339 12.599 0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.596 12.357 2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.156 10.941 1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.275 12.306 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.718 13.467 2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.706 11.726 3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.161 10.509 2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.070 11.273 3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.244 11.696 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.803 12.875 3.437 1.00 0.00 H new ATOM 1178 N GLU A 66 -0.267 10.156 -1.555 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.759 8.783 -1.601 1.00 0.00 C ATOM 1180 C GLU A 66 0.243 7.869 -2.301 1.00 0.00 C ATOM 1181 O GLU A 66 0.290 6.666 -2.040 1.00 0.00 O ATOM 1182 CB GLU A 66 -2.108 8.725 -2.320 1.00 0.00 C ATOM 1183 CG GLU A 66 -3.202 9.521 -1.627 1.00 0.00 C ATOM 1184 CD GLU A 66 -3.166 10.995 -1.981 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -3.724 11.367 -3.034 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -2.577 11.777 -1.205 1.00 0.00 O ATOM 0 H GLU A 66 -0.891 10.843 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.887 8.435 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.985 9.100 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.423 7.685 -2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.174 9.109 -1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.100 9.408 -0.548 1.00 0.00 H new ATOM 1193 N LEU A 67 1.041 8.448 -3.191 1.00 0.00 N ATOM 1194 CA LEU A 67 2.042 7.687 -3.930 1.00 0.00 C ATOM 1195 C LEU A 67 3.111 7.136 -2.991 1.00 0.00 C ATOM 1196 O LEU A 67 3.556 5.999 -3.140 1.00 0.00 O ATOM 1197 CB LEU A 67 2.691 8.565 -5.000 1.00 0.00 C ATOM 1198 CG LEU A 67 3.868 9.426 -4.540 1.00 0.00 C ATOM 1199 CD1 LEU A 67 5.162 8.629 -4.586 1.00 0.00 C ATOM 1200 CD2 LEU A 67 3.980 10.678 -5.397 1.00 0.00 C ATOM 0 H LEU A 67 1.014 9.442 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 67 1.541 6.848 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.033 7.922 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.927 9.222 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 67 3.689 9.731 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.989 9.258 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.080 7.763 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.347 8.294 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.823 11.279 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.135 10.394 -6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.062 11.260 -5.313 1.00 0.00 H new ATOM 1212 N ALA A 68 3.516 7.952 -2.022 1.00 0.00 N ATOM 1213 CA ALA A 68 4.528 7.545 -1.056 1.00 0.00 C ATOM 1214 C ALA A 68 3.968 6.526 -0.069 1.00 0.00 C ATOM 1215 O ALA A 68 4.622 5.534 0.254 1.00 0.00 O ATOM 1216 CB ALA A 68 5.069 8.758 -0.316 1.00 0.00 C ATOM 0 H ALA A 68 3.159 8.898 -1.886 1.00 0.00 H new ATOM 0 HA ALA A 68 5.345 7.072 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.824 8.439 0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.516 9.450 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.255 9.256 0.210 1.00 0.00 H new ATOM 1222 N THR A 69 2.753 6.779 0.408 1.00 0.00 N ATOM 1223 CA THR A 69 2.106 5.885 1.360 1.00 0.00 C ATOM 1224 C THR A 69 1.721 4.565 0.702 1.00 0.00 C ATOM 1225 O THR A 69 1.842 3.499 1.306 1.00 0.00 O ATOM 1226 CB THR A 69 0.845 6.529 1.967 1.00 0.00 C ATOM 1227 OG1 THR A 69 1.216 7.589 2.855 1.00 0.00 O ATOM 1228 CG2 THR A 69 0.018 5.496 2.718 1.00 0.00 C ATOM 0 H THR A 69 2.198 7.595 0.151 1.00 0.00 H new ATOM 0 HA THR A 69 2.827 5.695 2.155 1.00 0.00 H new ATOM 0 HB THR A 69 0.241 6.932 1.154 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.751 7.477 3.710 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.867 5.974 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.287 4.706 2.032 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.615 5.067 3.523 1.00 0.00 H new ATOM 1236 N VAL A 70 1.257 4.643 -0.542 1.00 0.00 N ATOM 1237 CA VAL A 70 0.856 3.453 -1.284 1.00 0.00 C ATOM 1238 C VAL A 70 2.048 2.537 -1.539 1.00 0.00 C ATOM 1239 O VAL A 70 1.963 1.323 -1.352 1.00 0.00 O ATOM 1240 CB VAL A 70 0.209 3.823 -2.632 1.00 0.00 C ATOM 1241 CG1 VAL A 70 0.176 2.617 -3.557 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -1.189 4.379 -2.415 1.00 0.00 C ATOM 0 H VAL A 70 1.150 5.517 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 70 0.123 2.929 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 70 0.813 4.597 -3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.284 2.898 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.193 2.269 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.404 1.819 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.632 4.635 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.806 3.629 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.133 5.272 -1.792 1.00 0.00 H new ATOM 1252 N ARG A 71 3.159 3.126 -1.967 1.00 0.00 N ATOM 1253 CA ARG A 71 4.370 2.363 -2.249 1.00 0.00 C ATOM 1254 C ARG A 71 4.877 1.664 -0.992 1.00 0.00 C ATOM 1255 O ARG A 71 5.238 0.488 -1.023 1.00 0.00 O ATOM 1256 CB ARG A 71 5.458 3.281 -2.810 1.00 0.00 C ATOM 1257 CG ARG A 71 5.424 3.410 -4.324 1.00 0.00 C ATOM 1258 CD ARG A 71 6.445 4.423 -4.820 1.00 0.00 C ATOM 1259 NE ARG A 71 6.462 4.514 -6.276 1.00 0.00 N ATOM 1260 CZ ARG A 71 7.161 5.423 -6.948 1.00 0.00 C ATOM 1261 NH1 ARG A 71 7.896 6.314 -6.296 1.00 0.00 N ATOM 1262 NH2 ARG A 71 7.126 5.442 -8.274 1.00 0.00 N ATOM 0 H ARG A 71 3.246 4.130 -2.126 1.00 0.00 H new ATOM 0 HA ARG A 71 4.126 1.604 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.350 4.271 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.434 2.901 -2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.623 2.439 -4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.426 3.712 -4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.218 5.402 -4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.436 4.144 -4.463 1.00 0.00 H new ATOM 0 HE ARG A 71 5.907 3.843 -6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.926 6.303 -5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.432 7.011 -6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.562 4.758 -8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.663 6.140 -8.788 1.00 0.00 H new ATOM 1276 N THR A 72 4.902 2.397 0.118 1.00 0.00 N ATOM 1277 CA THR A 72 5.366 1.850 1.385 1.00 0.00 C ATOM 1278 C THR A 72 4.475 0.703 1.849 1.00 0.00 C ATOM 1279 O THR A 72 4.965 -0.355 2.244 1.00 0.00 O ATOM 1280 CB THR A 72 5.406 2.929 2.483 1.00 0.00 C ATOM 1281 OG1 THR A 72 6.172 4.054 2.037 1.00 0.00 O ATOM 1282 CG2 THR A 72 6.009 2.377 3.766 1.00 0.00 C ATOM 0 H THR A 72 4.606 3.372 0.163 1.00 0.00 H new ATOM 0 HA THR A 72 6.376 1.477 1.216 1.00 0.00 H new ATOM 0 HB THR A 72 4.383 3.243 2.688 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.639 4.583 1.407 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.026 3.158 4.526 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.407 1.540 4.120 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.026 2.037 3.573 1.00 0.00 H new ATOM 1290 N ILE A 73 3.165 0.920 1.796 1.00 0.00 N ATOM 1291 CA ILE A 73 2.206 -0.098 2.208 1.00 0.00 C ATOM 1292 C ILE A 73 2.336 -1.355 1.355 1.00 0.00 C ATOM 1293 O ILE A 73 2.394 -2.469 1.877 1.00 0.00 O ATOM 1294 CB ILE A 73 0.760 0.423 2.118 1.00 0.00 C ATOM 1295 CG1 ILE A 73 0.498 1.461 3.211 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.226 -0.731 2.229 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -0.765 2.264 2.992 1.00 0.00 C ATOM 0 H ILE A 73 2.744 1.791 1.472 1.00 0.00 H new ATOM 0 HA ILE A 73 2.432 -0.343 3.246 1.00 0.00 H new ATOM 0 HB ILE A 73 0.622 0.902 1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.434 0.954 4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.347 2.142 3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.244 -0.347 2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.052 -1.438 1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.089 -1.236 3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.887 2.980 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.696 2.799 2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.623 1.593 2.968 1.00 0.00 H new ATOM 1309 N CYS A 74 2.385 -1.168 0.041 1.00 0.00 N ATOM 1310 CA CYS A 74 2.509 -2.287 -0.886 1.00 0.00 C ATOM 1311 C CYS A 74 3.738 -3.130 -0.559 1.00 0.00 C ATOM 1312 O CYS A 74 3.701 -4.357 -0.639 1.00 0.00 O ATOM 1313 CB CYS A 74 2.595 -1.778 -2.326 1.00 0.00 C ATOM 1314 SG CYS A 74 2.833 -3.079 -3.557 1.00 0.00 S ATOM 0 H CYS A 74 2.341 -0.252 -0.406 1.00 0.00 H new ATOM 0 HA CYS A 74 1.622 -2.912 -0.782 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.681 -1.232 -2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.419 -1.068 -2.400 1.00 0.00 H new ATOM 0 HG CYS A 74 3.237 -4.165 -2.968 1.00 0.00 H new ATOM 1320 N SER A 75 4.827 -2.461 -0.191 1.00 0.00 N ATOM 1321 CA SER A 75 6.069 -3.148 0.144 1.00 0.00 C ATOM 1322 C SER A 75 5.903 -3.985 1.409 1.00 0.00 C ATOM 1323 O SER A 75 6.420 -5.100 1.502 1.00 0.00 O ATOM 1324 CB SER A 75 7.201 -2.137 0.332 1.00 0.00 C ATOM 1325 OG SER A 75 8.335 -2.745 0.925 1.00 0.00 O ATOM 0 H SER A 75 4.874 -1.445 -0.117 1.00 0.00 H new ATOM 0 HA SER A 75 6.321 -3.815 -0.681 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.476 -1.711 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.857 -1.314 0.958 1.00 0.00 H new ATOM 0 HG SER A 75 9.045 -2.078 1.033 1.00 0.00 H new ATOM 1331 N HIS A 76 5.179 -3.440 2.382 1.00 0.00 N ATOM 1332 CA HIS A 76 4.943 -4.135 3.642 1.00 0.00 C ATOM 1333 C HIS A 76 4.208 -5.451 3.407 1.00 0.00 C ATOM 1334 O HIS A 76 4.584 -6.490 3.950 1.00 0.00 O ATOM 1335 CB HIS A 76 4.140 -3.250 4.594 1.00 0.00 C ATOM 1336 CG HIS A 76 4.971 -2.234 5.314 1.00 0.00 C ATOM 1337 ND1 HIS A 76 6.230 -2.504 5.807 1.00 0.00 N ATOM 1338 CD2 HIS A 76 4.719 -0.940 5.620 1.00 0.00 C ATOM 1339 CE1 HIS A 76 6.715 -1.421 6.387 1.00 0.00 C ATOM 1340 NE2 HIS A 76 5.818 -0.457 6.287 1.00 0.00 N ATOM 0 H HIS A 76 4.746 -2.519 2.321 1.00 0.00 H new ATOM 0 HA HIS A 76 5.910 -4.356 4.094 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.362 -2.736 4.029 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.638 -3.881 5.327 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.820 -0.389 5.384 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.681 -1.338 6.862 1.00 0.00 H new ATOM 0 HE2 HIS A 76 5.924 0.492 6.647 1.00 0.00 H new ATOM 1348 N VAL A 77 3.157 -5.399 2.595 1.00 0.00 N ATOM 1349 CA VAL A 77 2.368 -6.587 2.288 1.00 0.00 C ATOM 1350 C VAL A 77 3.200 -7.618 1.533 1.00 0.00 C ATOM 1351 O VAL A 77 3.218 -8.795 1.891 1.00 0.00 O ATOM 1352 CB VAL A 77 1.125 -6.233 1.451 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.308 -7.482 1.156 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.279 -5.192 2.168 1.00 0.00 C ATOM 0 H VAL A 77 2.832 -4.547 2.138 1.00 0.00 H new ATOM 0 HA VAL A 77 2.047 -7.010 3.240 1.00 0.00 H new ATOM 0 HB VAL A 77 1.455 -5.810 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.567 -7.213 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.919 -8.193 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.014 -7.936 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.595 -4.954 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.044 -5.586 3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.869 -4.289 2.325 1.00 0.00 H new ATOM 1364 N GLN A 78 3.885 -7.167 0.487 1.00 0.00 N ATOM 1365 CA GLN A 78 4.717 -8.051 -0.319 1.00 0.00 C ATOM 1366 C GLN A 78 5.826 -8.672 0.524 1.00 0.00 C ATOM 1367 O GLN A 78 6.146 -9.851 0.375 1.00 0.00 O ATOM 1368 CB GLN A 78 5.323 -7.285 -1.495 1.00 0.00 C ATOM 1369 CG GLN A 78 4.305 -6.890 -2.553 1.00 0.00 C ATOM 1370 CD GLN A 78 3.689 -8.090 -3.247 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.598 -8.600 -2.689 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 4.189 -8.552 -4.273 1.00 0.00 N flip ATOM 0 H GLN A 78 3.880 -6.195 0.178 1.00 0.00 H new ATOM 0 HA GLN A 78 4.085 -8.852 -0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.812 -6.386 -1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.096 -7.898 -1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.516 -6.298 -2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.786 -6.253 -3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.029 -8.128 -4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.764 -9.359 -4.729 1.00 0.00 H new ATOM 1381 N ASN A 79 6.410 -7.871 1.409 1.00 0.00 N ATOM 1382 CA ASN A 79 7.484 -8.341 2.274 1.00 0.00 C ATOM 1383 C ASN A 79 6.981 -9.421 3.229 1.00 0.00 C ATOM 1384 O ASN A 79 7.683 -10.393 3.506 1.00 0.00 O ATOM 1385 CB ASN A 79 8.074 -7.176 3.072 1.00 0.00 C ATOM 1386 CG ASN A 79 9.355 -7.554 3.790 1.00 0.00 C ATOM 1387 OD1 ASN A 79 10.281 -8.096 3.186 1.00 0.00 O ATOM 1388 ND2 ASN A 79 9.412 -7.270 5.085 1.00 0.00 N ATOM 0 H ASN A 79 6.157 -6.892 1.546 1.00 0.00 H new ATOM 0 HA ASN A 79 8.262 -8.771 1.643 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.271 -6.342 2.399 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.341 -6.831 3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.248 -7.502 5.622 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.620 -6.820 5.544 1.00 0.00 H new ATOM 1395 N MET A 80 5.762 -9.243 3.725 1.00 0.00 N ATOM 1396 CA MET A 80 5.164 -10.202 4.646 1.00 0.00 C ATOM 1397 C MET A 80 4.994 -11.563 3.978 1.00 0.00 C ATOM 1398 O MET A 80 5.338 -12.595 4.554 1.00 0.00 O ATOM 1399 CB MET A 80 3.810 -9.691 5.141 1.00 0.00 C ATOM 1400 CG MET A 80 3.916 -8.508 6.089 1.00 0.00 C ATOM 1401 SD MET A 80 2.377 -7.579 6.215 1.00 0.00 S ATOM 1402 CE MET A 80 1.481 -8.567 7.413 1.00 0.00 C ATOM 0 H MET A 80 5.168 -8.443 3.505 1.00 0.00 H new ATOM 0 HA MET A 80 5.834 -10.316 5.498 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.203 -9.404 4.282 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.286 -10.504 5.644 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.202 -8.865 7.078 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.710 -7.844 5.747 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.505 -8.119 7.597 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.349 -9.577 7.026 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.044 -8.606 8.346 1.00 0.00 H new ATOM 1412 N ILE A 81 4.463 -11.557 2.761 1.00 0.00 N ATOM 1413 CA ILE A 81 4.248 -12.791 2.015 1.00 0.00 C ATOM 1414 C ILE A 81 5.562 -13.528 1.782 1.00 0.00 C ATOM 1415 O ILE A 81 5.653 -14.740 1.982 1.00 0.00 O ATOM 1416 CB ILE A 81 3.578 -12.518 0.655 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.224 -11.834 0.858 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.411 -13.815 -0.123 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.715 -11.126 -0.378 1.00 0.00 C ATOM 0 H ILE A 81 4.173 -10.711 2.270 1.00 0.00 H new ATOM 0 HA ILE A 81 3.587 -13.413 2.618 1.00 0.00 H new ATOM 0 HB ILE A 81 4.218 -11.851 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.492 -12.580 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.308 -11.113 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.936 -13.606 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.389 -14.266 -0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.788 -14.504 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.752 -10.664 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.428 -10.357 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.598 -11.846 -1.188 1.00 0.00 H new ATOM 1431 N LYS A 82 6.583 -12.788 1.359 1.00 0.00 N ATOM 1432 CA LYS A 82 7.894 -13.370 1.102 1.00 0.00 C ATOM 1433 C LYS A 82 8.525 -13.882 2.392 1.00 0.00 C ATOM 1434 O LYS A 82 9.241 -14.883 2.390 1.00 0.00 O ATOM 1435 CB LYS A 82 8.813 -12.334 0.448 1.00 0.00 C ATOM 1436 CG LYS A 82 8.582 -12.172 -1.044 1.00 0.00 C ATOM 1437 CD LYS A 82 9.704 -11.386 -1.700 1.00 0.00 C ATOM 1438 CE LYS A 82 10.826 -12.301 -2.168 1.00 0.00 C ATOM 1439 NZ LYS A 82 11.892 -11.549 -2.886 1.00 0.00 N ATOM 0 H LYS A 82 6.526 -11.784 1.187 1.00 0.00 H new ATOM 0 HA LYS A 82 7.764 -14.213 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.666 -11.371 0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.850 -12.623 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.504 -13.154 -1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.633 -11.663 -1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.310 -10.828 -2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.099 -10.656 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.259 -12.813 -1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.418 -13.069 -2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.638 -12.208 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.484 -11.080 -3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.299 -10.833 -2.251 1.00 0.00 H new ATOM 1453 N GLY A 83 8.254 -13.188 3.495 1.00 0.00 N ATOM 1454 CA GLY A 83 8.802 -13.590 4.777 1.00 0.00 C ATOM 1455 C GLY A 83 8.131 -14.831 5.332 1.00 0.00 C ATOM 1456 O GLY A 83 8.725 -15.569 6.117 1.00 0.00 O ATOM 0 H GLY A 83 7.665 -12.356 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.871 -13.776 4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.691 -12.772 5.489 1.00 0.00 H new ATOM 1460 N VAL A 84 6.885 -15.059 4.925 1.00 0.00 N ATOM 1461 CA VAL A 84 6.131 -16.219 5.387 1.00 0.00 C ATOM 1462 C VAL A 84 6.180 -17.349 4.365 1.00 0.00 C ATOM 1463 O VAL A 84 5.765 -18.473 4.647 1.00 0.00 O ATOM 1464 CB VAL A 84 4.661 -15.856 5.667 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.571 -14.773 6.732 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.969 -15.414 4.386 1.00 0.00 C ATOM 0 H VAL A 84 6.377 -14.456 4.277 1.00 0.00 H new ATOM 0 HA VAL A 84 6.598 -16.552 6.314 1.00 0.00 H new ATOM 0 HB VAL A 84 4.151 -16.743 6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.525 -14.530 6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.028 -15.131 7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.096 -13.881 6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.931 -15.161 4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.479 -14.540 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.001 -16.224 3.657 1.00 0.00 H new ATOM 1476 N THR A 85 6.688 -17.042 3.175 1.00 0.00 N ATOM 1477 CA THR A 85 6.791 -18.031 2.110 1.00 0.00 C ATOM 1478 C THR A 85 8.239 -18.451 1.886 1.00 0.00 C ATOM 1479 O THR A 85 8.508 -19.507 1.311 1.00 0.00 O ATOM 1480 CB THR A 85 6.213 -17.495 0.788 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.850 -16.259 0.441 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.711 -17.281 0.900 1.00 0.00 C ATOM 0 H THR A 85 7.034 -16.116 2.925 1.00 0.00 H new ATOM 0 HA THR A 85 6.210 -18.897 2.427 1.00 0.00 H new ATOM 0 HB THR A 85 6.402 -18.234 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.251 -15.512 0.650 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.326 -16.902 -0.047 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.225 -18.228 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.504 -16.560 1.691 1.00 0.00 H new ATOM 1490 N LEU A 86 9.168 -17.619 2.344 1.00 0.00 N ATOM 1491 CA LEU A 86 10.591 -17.904 2.194 1.00 0.00 C ATOM 1492 C LEU A 86 11.263 -18.054 3.555 1.00 0.00 C ATOM 1493 O LEU A 86 12.058 -18.968 3.768 1.00 0.00 O ATOM 1494 CB LEU A 86 11.273 -16.791 1.396 1.00 0.00 C ATOM 1495 CG LEU A 86 10.692 -16.506 0.011 1.00 0.00 C ATOM 1496 CD1 LEU A 86 11.333 -15.265 -0.592 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.883 -17.705 -0.906 1.00 0.00 C ATOM 0 H LEU A 86 8.962 -16.742 2.822 1.00 0.00 H new ATOM 0 HA LEU A 86 10.693 -18.845 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.230 -15.873 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.326 -17.047 1.281 1.00 0.00 H new ATOM 0 HG LEU A 86 9.623 -16.323 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.907 -15.078 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.144 -14.408 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.408 -15.419 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.463 -17.483 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.947 -17.920 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.376 -18.572 -0.482 1.00 0.00 H new