USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 836 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 96 THR OG1 : rot 79:sc= 0.955 USER MOD Set 1.2: A 97 ASN :FLIP amide:sc= 0.89 F(o=0.57,f=1.8) USER MOD Set 2.1: A 65 LYS NZ :NH3+ 146:sc= 0.807 (180deg=0) USER MOD Set 2.2: A 68 SER OG : rot -64:sc= 1.63 USER MOD Set 3.1: A 23 TYR OH : rot 141:sc= -0.536! USER MOD Set 3.2: A 27 SER OG : rot -91:sc= -1.56 USER MOD Set 3.3: A 109 MET CE :methyl -152:sc= -4.37 (180deg=-3.82!) USER MOD Set 3.4: A 112 HIS : no HE2:sc= -7.15! C(o=-14!,f=-20!) USER MOD Set 4.1: A 20 THR OG1 : rot -63:sc= -1.41 USER MOD Set 4.2: A 108 MET CE :methyl -111:sc= -7.1! (180deg=-10.3!) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0148 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -148:sc= -0.378 (180deg=-1.42!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 30 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.119 K(o=-0.12,f=-0.98) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 154:sc= -5.91! (180deg=-7.98!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.01 K(o=-2,f=-3.2!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= 0.163 (180deg=0.0586) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -138:sc= -1.89 (180deg=-4.22!) USER MOD Single : A 73 THR OG1 : rot 84:sc= -1.38 USER MOD Single : A 75 LYS NZ :NH3+ 132:sc= -0.237 (180deg=-0.863) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 87:sc= 1.13 USER MOD Single : A 82 THR OG1 : rot 64:sc= -3.44! USER MOD Single : A 83 SER OG : rot 163:sc= -2.63! USER MOD Single : A 84 ASN : amide:sc= 0.481 X(o=0.48,f=0) USER MOD Single : A 87 ASN : amide:sc= -2.59 K(o=-2.6,f=-3.7!) USER MOD Single : A 92 ASN : amide:sc= -0.0961 X(o=-0.096,f=-0.4) USER MOD Single : A 98 THR OG1 : rot -162:sc= -1.09 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -2.333 3.707 14.929 1.00 0.00 N ATOM 194 CA TYR A 12 -2.688 5.104 15.156 1.00 0.00 C ATOM 195 C TYR A 12 -4.156 5.358 14.831 1.00 0.00 C ATOM 196 O TYR A 12 -4.965 5.608 15.726 1.00 0.00 O ATOM 197 CB TYR A 12 -1.785 6.007 14.302 1.00 0.00 C ATOM 198 CG TYR A 12 -0.452 5.366 13.967 1.00 0.00 C ATOM 199 CD1 TYR A 12 -0.397 4.173 13.255 1.00 0.00 C ATOM 200 CD2 TYR A 12 0.744 5.927 14.394 1.00 0.00 C ATOM 201 CE1 TYR A 12 0.801 3.558 12.978 1.00 0.00 C ATOM 202 CE2 TYR A 12 1.955 5.321 14.112 1.00 0.00 C ATOM 203 CZ TYR A 12 1.978 4.136 13.406 1.00 0.00 C ATOM 204 OH TYR A 12 3.180 3.526 13.130 1.00 0.00 O ATOM 0 HA TYR A 12 -2.538 5.336 16.210 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.303 6.259 13.377 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.609 6.942 14.834 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.315 3.720 12.912 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.729 6.850 14.955 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.820 2.628 12.429 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.878 5.773 14.443 1.00 0.00 H new ATOM 0 HH TYR A 12 3.912 4.063 13.500 1.00 0.00 H new ATOM 214 N GLY A 13 -4.498 5.293 13.548 1.00 0.00 N ATOM 215 CA GLY A 13 -5.871 5.517 13.139 1.00 0.00 C ATOM 216 C GLY A 13 -5.985 6.064 11.730 1.00 0.00 C ATOM 217 O GLY A 13 -6.489 5.386 10.834 1.00 0.00 O ATOM 0 H GLY A 13 -3.850 5.090 12.787 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.422 4.579 13.205 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.343 6.213 13.833 1.00 0.00 H new ATOM 221 N ILE A 14 -5.521 7.295 11.530 1.00 0.00 N ATOM 222 CA ILE A 14 -5.583 7.928 10.218 1.00 0.00 C ATOM 223 C ILE A 14 -4.860 7.090 9.167 1.00 0.00 C ATOM 224 O ILE A 14 -5.389 6.852 8.080 1.00 0.00 O ATOM 225 CB ILE A 14 -4.987 9.354 10.249 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.341 10.114 8.965 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.478 9.310 10.458 1.00 0.00 C ATOM 228 CD1 ILE A 14 -4.577 9.654 7.740 1.00 0.00 C ATOM 0 H ILE A 14 -5.099 7.872 12.258 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.637 7.999 9.948 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.425 9.888 11.093 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.409 10.006 8.775 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.151 11.176 9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.083 10.326 10.476 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.256 8.818 11.405 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.014 8.755 9.643 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.887 10.242 6.876 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.508 9.788 7.906 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.786 8.600 7.555 1.00 0.00 H new ATOM 240 N GLU A 15 -3.656 6.637 9.497 1.00 0.00 N ATOM 241 CA GLU A 15 -2.877 5.819 8.578 1.00 0.00 C ATOM 242 C GLU A 15 -3.480 4.426 8.474 1.00 0.00 C ATOM 243 O GLU A 15 -3.456 3.804 7.412 1.00 0.00 O ATOM 244 CB GLU A 15 -1.419 5.738 9.036 1.00 0.00 C ATOM 245 CG GLU A 15 -0.443 6.399 8.077 1.00 0.00 C ATOM 246 CD GLU A 15 0.633 7.190 8.796 1.00 0.00 C ATOM 247 OE1 GLU A 15 0.316 7.835 9.817 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.795 7.163 8.337 1.00 0.00 O ATOM 0 H GLU A 15 -3.200 6.822 10.391 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.901 6.284 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.328 6.208 10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.143 4.691 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.026 5.635 7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.990 7.062 7.407 1.00 0.00 H new ATOM 255 N GLY A 16 -4.033 3.948 9.582 1.00 0.00 N ATOM 256 CA GLY A 16 -4.649 2.638 9.592 1.00 0.00 C ATOM 257 C GLY A 16 -5.959 2.631 8.831 1.00 0.00 C ATOM 258 O GLY A 16 -6.343 1.614 8.254 1.00 0.00 O ATOM 0 H GLY A 16 -4.065 4.445 10.472 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.967 1.911 9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.824 2.326 10.622 1.00 0.00 H new ATOM 262 N ARG A 17 -6.641 3.774 8.828 1.00 0.00 N ATOM 263 CA ARG A 17 -7.913 3.904 8.129 1.00 0.00 C ATOM 264 C ARG A 17 -7.715 3.830 6.619 1.00 0.00 C ATOM 265 O ARG A 17 -8.637 3.482 5.882 1.00 0.00 O ATOM 266 CB ARG A 17 -8.594 5.221 8.503 1.00 0.00 C ATOM 267 CG ARG A 17 -9.951 5.413 7.846 1.00 0.00 C ATOM 268 CD ARG A 17 -10.704 6.585 8.454 1.00 0.00 C ATOM 269 NE ARG A 17 -11.819 7.015 7.614 1.00 0.00 N ATOM 270 CZ ARG A 17 -12.630 8.025 7.918 1.00 0.00 C ATOM 271 NH1 ARG A 17 -12.454 8.713 9.040 1.00 0.00 N ATOM 272 NH2 ARG A 17 -13.620 8.350 7.099 1.00 0.00 N ATOM 0 H ARG A 17 -6.332 4.623 9.302 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.552 3.075 8.434 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.715 5.263 9.585 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.943 6.049 8.222 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.818 5.580 6.777 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.542 4.503 7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.079 6.304 9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.018 7.419 8.601 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.986 6.511 6.743 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.694 8.468 9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.079 9.486 9.267 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.760 7.826 6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.242 9.124 7.332 1.00 0.00 H new ATOM 286 N TYR A 18 -6.508 4.154 6.159 1.00 0.00 N ATOM 287 CA TYR A 18 -6.207 4.113 4.732 1.00 0.00 C ATOM 288 C TYR A 18 -6.435 2.713 4.181 1.00 0.00 C ATOM 289 O TYR A 18 -7.155 2.531 3.198 1.00 0.00 O ATOM 290 CB TYR A 18 -4.763 4.550 4.477 1.00 0.00 C ATOM 291 CG TYR A 18 -4.638 5.965 3.960 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.086 7.043 4.714 1.00 0.00 C ATOM 293 CD2 TYR A 18 -4.072 6.224 2.718 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.972 8.338 4.245 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.955 7.516 2.242 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.407 8.569 3.009 1.00 0.00 C ATOM 297 OH TYR A 18 -4.292 9.857 2.539 1.00 0.00 O ATOM 0 H TYR A 18 -5.729 4.445 6.749 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.877 4.804 4.220 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.197 4.460 5.404 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.308 3.869 3.758 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.530 6.866 5.682 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.717 5.402 2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.324 9.165 4.844 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.512 7.700 1.274 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.871 9.846 1.654 1.00 0.00 H new ATOM 307 N ALA A 19 -5.829 1.723 4.826 1.00 0.00 N ATOM 308 CA ALA A 19 -5.980 0.340 4.403 1.00 0.00 C ATOM 309 C ALA A 19 -7.414 -0.122 4.608 1.00 0.00 C ATOM 310 O ALA A 19 -8.001 -0.765 3.741 1.00 0.00 O ATOM 311 CB ALA A 19 -5.017 -0.559 5.165 1.00 0.00 C ATOM 0 H ALA A 19 -5.230 1.854 5.641 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.743 0.275 3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.144 -1.590 4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.992 -0.240 4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.224 -0.491 6.233 1.00 0.00 H new ATOM 317 N THR A 20 -7.975 0.216 5.763 1.00 0.00 N ATOM 318 CA THR A 20 -9.346 -0.161 6.077 1.00 0.00 C ATOM 319 C THR A 20 -10.334 0.560 5.171 1.00 0.00 C ATOM 320 O THR A 20 -11.467 0.114 5.004 1.00 0.00 O ATOM 321 CB THR A 20 -9.673 0.108 7.545 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.658 0.876 8.158 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.836 -1.162 8.350 1.00 0.00 C ATOM 0 H THR A 20 -7.503 0.748 6.494 1.00 0.00 H new ATOM 0 HA THR A 20 -9.438 -1.233 5.900 1.00 0.00 H new ATOM 0 HB THR A 20 -10.619 0.650 7.539 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.817 0.372 8.151 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.067 -0.910 9.385 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.648 -1.756 7.931 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.910 -1.736 8.315 1.00 0.00 H new ATOM 331 N ALA A 21 -9.904 1.668 4.574 1.00 0.00 N ATOM 332 CA ALA A 21 -10.773 2.418 3.679 1.00 0.00 C ATOM 333 C ALA A 21 -10.566 1.991 2.230 1.00 0.00 C ATOM 334 O ALA A 21 -11.224 2.502 1.323 1.00 0.00 O ATOM 335 CB ALA A 21 -10.550 3.913 3.839 1.00 0.00 C ATOM 0 H ALA A 21 -8.970 2.061 4.693 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.806 2.197 3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.210 4.454 3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.767 4.205 4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.513 4.153 3.605 1.00 0.00 H new ATOM 341 N LEU A 22 -9.677 1.028 2.025 1.00 0.00 N ATOM 342 CA LEU A 22 -9.413 0.502 0.693 1.00 0.00 C ATOM 343 C LEU A 22 -9.765 -0.963 0.683 1.00 0.00 C ATOM 344 O LEU A 22 -10.396 -1.464 -0.247 1.00 0.00 O ATOM 345 CB LEU A 22 -7.949 0.706 0.297 1.00 0.00 C ATOM 346 CG LEU A 22 -7.534 0.021 -1.009 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.359 1.046 -2.120 1.00 0.00 C ATOM 348 CD2 LEU A 22 -6.256 -0.780 -0.808 1.00 0.00 C ATOM 0 H LEU A 22 -9.126 0.595 2.766 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.021 1.038 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.758 1.775 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.315 0.336 1.102 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.326 -0.667 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.064 0.540 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.300 1.572 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.587 1.762 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.976 -1.260 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.455 -0.113 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.420 -1.542 -0.046 1.00 0.00 H new ATOM 360 N TYR A 23 -9.389 -1.636 1.754 1.00 0.00 N ATOM 361 CA TYR A 23 -9.698 -3.026 1.906 1.00 0.00 C ATOM 362 C TYR A 23 -11.161 -3.164 2.325 1.00 0.00 C ATOM 363 O TYR A 23 -11.755 -4.225 2.163 1.00 0.00 O ATOM 364 CB TYR A 23 -8.745 -3.668 2.921 1.00 0.00 C ATOM 365 CG TYR A 23 -9.422 -4.219 4.150 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.215 -5.347 4.064 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.268 -3.615 5.387 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.848 -5.865 5.173 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.894 -4.119 6.505 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.686 -5.245 6.397 1.00 0.00 C ATOM 371 OH TYR A 23 -11.312 -5.751 7.511 1.00 0.00 O ATOM 0 H TYR A 23 -8.866 -1.230 2.530 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.561 -3.552 0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.200 -4.474 2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.008 -2.926 3.229 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.341 -5.833 3.108 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.648 -2.735 5.476 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.465 -6.747 5.086 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.766 -3.636 7.462 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.713 -5.679 8.284 1.00 0.00 H new ATOM 381 N SER A 24 -11.754 -2.073 2.843 1.00 0.00 N ATOM 382 CA SER A 24 -13.158 -2.101 3.244 1.00 0.00 C ATOM 383 C SER A 24 -13.989 -2.688 2.114 1.00 0.00 C ATOM 384 O SER A 24 -14.914 -3.468 2.340 1.00 0.00 O ATOM 385 CB SER A 24 -13.647 -0.691 3.594 1.00 0.00 C ATOM 386 OG SER A 24 -15.008 -0.513 3.239 1.00 0.00 O ATOM 0 H SER A 24 -11.286 -1.179 2.989 1.00 0.00 H new ATOM 0 HA SER A 24 -13.266 -2.723 4.132 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.522 -0.516 4.663 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.035 0.047 3.076 1.00 0.00 H new ATOM 0 HG SER A 24 -15.292 0.395 3.476 1.00 0.00 H new ATOM 392 N ALA A 25 -13.615 -2.333 0.888 1.00 0.00 N ATOM 393 CA ALA A 25 -14.284 -2.849 -0.293 1.00 0.00 C ATOM 394 C ALA A 25 -13.797 -4.263 -0.556 1.00 0.00 C ATOM 395 O ALA A 25 -14.564 -5.137 -0.956 1.00 0.00 O ATOM 396 CB ALA A 25 -14.020 -1.954 -1.494 1.00 0.00 C ATOM 0 H ALA A 25 -12.850 -1.688 0.691 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.361 -2.863 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.530 -2.358 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.392 -0.950 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.948 -1.911 -1.687 1.00 0.00 H new ATOM 402 N ALA A 26 -12.510 -4.482 -0.303 1.00 0.00 N ATOM 403 CA ALA A 26 -11.910 -5.797 -0.487 1.00 0.00 C ATOM 404 C ALA A 26 -12.505 -6.806 0.494 1.00 0.00 C ATOM 405 O ALA A 26 -12.591 -7.997 0.201 1.00 0.00 O ATOM 406 CB ALA A 26 -10.402 -5.715 -0.309 1.00 0.00 C ATOM 0 H ALA A 26 -11.864 -3.766 0.030 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.128 -6.136 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.965 -6.704 -0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.986 -5.027 -1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.173 -5.356 0.694 1.00 0.00 H new ATOM 412 N SER A 27 -12.918 -6.313 1.658 1.00 0.00 N ATOM 413 CA SER A 27 -13.511 -7.156 2.687 1.00 0.00 C ATOM 414 C SER A 27 -14.830 -7.741 2.198 1.00 0.00 C ATOM 415 O SER A 27 -15.055 -8.948 2.287 1.00 0.00 O ATOM 416 CB SER A 27 -13.746 -6.346 3.962 1.00 0.00 C ATOM 417 OG SER A 27 -13.628 -7.159 5.114 1.00 0.00 O ATOM 0 H SER A 27 -12.851 -5.327 1.912 1.00 0.00 H new ATOM 0 HA SER A 27 -12.822 -7.972 2.905 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.026 -5.529 4.015 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.738 -5.895 3.932 1.00 0.00 H new ATOM 0 HG SER A 27 -14.506 -7.526 5.347 1.00 0.00 H new ATOM 423 N LYS A 28 -15.699 -6.877 1.672 1.00 0.00 N ATOM 424 CA LYS A 28 -16.992 -7.321 1.161 1.00 0.00 C ATOM 425 C LYS A 28 -16.803 -8.505 0.220 1.00 0.00 C ATOM 426 O LYS A 28 -17.663 -9.382 0.123 1.00 0.00 O ATOM 427 CB LYS A 28 -17.716 -6.170 0.447 1.00 0.00 C ATOM 428 CG LYS A 28 -17.288 -5.961 -0.998 1.00 0.00 C ATOM 429 CD LYS A 28 -17.190 -4.484 -1.344 1.00 0.00 C ATOM 430 CE LYS A 28 -18.469 -3.978 -1.992 1.00 0.00 C ATOM 431 NZ LYS A 28 -18.868 -4.810 -3.161 1.00 0.00 N ATOM 0 H LYS A 28 -15.531 -5.874 1.590 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.610 -7.639 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -18.789 -6.360 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.543 -5.248 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.323 -6.439 -1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.003 -6.445 -1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.987 -3.910 -0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.350 -4.322 -2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.273 -3.977 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.329 -2.946 -2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.345 -4.212 -3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.022 -5.239 -3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.516 -5.561 -2.848 1.00 0.00 H new ATOM 445 N GLN A 29 -15.658 -8.532 -0.454 1.00 0.00 N ATOM 446 CA GLN A 29 -15.335 -9.613 -1.369 1.00 0.00 C ATOM 447 C GLN A 29 -14.581 -10.709 -0.630 1.00 0.00 C ATOM 448 O GLN A 29 -15.137 -11.767 -0.344 1.00 0.00 O ATOM 449 CB GLN A 29 -14.496 -9.093 -2.538 1.00 0.00 C ATOM 450 CG GLN A 29 -15.312 -8.373 -3.600 1.00 0.00 C ATOM 451 CD GLN A 29 -14.618 -8.341 -4.947 1.00 0.00 C ATOM 452 OE1 GLN A 29 -14.286 -9.383 -5.513 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.393 -7.141 -5.468 1.00 0.00 N ATOM 0 H GLN A 29 -14.938 -7.813 -0.381 1.00 0.00 H new ATOM 0 HA GLN A 29 -16.263 -10.024 -1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.735 -8.414 -2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.973 -9.930 -3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.279 -8.865 -3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.508 -7.352 -3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.685 -6.303 -4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.928 -7.056 -6.372 1.00 0.00 H new ATOM 462 N ASN A 30 -13.315 -10.422 -0.319 1.00 0.00 N ATOM 463 CA ASN A 30 -12.423 -11.341 0.400 1.00 0.00 C ATOM 464 C ASN A 30 -11.014 -11.235 -0.162 1.00 0.00 C ATOM 465 O ASN A 30 -10.239 -12.190 -0.112 1.00 0.00 O ATOM 466 CB ASN A 30 -12.890 -12.801 0.314 1.00 0.00 C ATOM 467 CG ASN A 30 -12.961 -13.310 -1.114 1.00 0.00 C ATOM 468 OD1 ASN A 30 -14.041 -13.436 -1.690 1.00 0.00 O ATOM 469 ND2 ASN A 30 -11.805 -13.612 -1.693 1.00 0.00 N ATOM 0 H ASN A 30 -12.873 -9.535 -0.561 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.440 -11.048 1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.209 -13.430 0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.873 -12.892 0.777 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.791 -13.963 -2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.931 -13.493 -1.180 1.00 0.00 H new ATOM 476 N LYS A 31 -10.693 -10.070 -0.713 1.00 0.00 N ATOM 477 CA LYS A 31 -9.386 -9.842 -1.301 1.00 0.00 C ATOM 478 C LYS A 31 -8.341 -9.487 -0.246 1.00 0.00 C ATOM 479 O LYS A 31 -7.205 -9.170 -0.589 1.00 0.00 O ATOM 480 CB LYS A 31 -9.467 -8.739 -2.357 1.00 0.00 C ATOM 481 CG LYS A 31 -9.979 -9.228 -3.703 1.00 0.00 C ATOM 482 CD LYS A 31 -8.837 -9.648 -4.614 1.00 0.00 C ATOM 483 CE LYS A 31 -9.341 -10.033 -5.996 1.00 0.00 C ATOM 484 NZ LYS A 31 -9.639 -11.488 -6.093 1.00 0.00 N ATOM 0 H LYS A 31 -11.324 -9.270 -0.763 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.072 -10.772 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.121 -7.946 -1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.478 -8.300 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.654 -10.070 -3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.557 -8.438 -4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.120 -8.831 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.307 -10.491 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.241 -9.462 -6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.593 -9.765 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.980 -11.709 -7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.775 -12.033 -5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.371 -11.740 -5.398 1.00 0.00 H new ATOM 498 N LEU A 32 -8.711 -9.552 1.038 1.00 0.00 N ATOM 499 CA LEU A 32 -7.778 -9.252 2.121 1.00 0.00 C ATOM 500 C LEU A 32 -6.415 -9.873 1.843 1.00 0.00 C ATOM 501 O LEU A 32 -5.381 -9.318 2.209 1.00 0.00 O ATOM 502 CB LEU A 32 -8.340 -9.777 3.444 1.00 0.00 C ATOM 503 CG LEU A 32 -9.425 -8.906 4.083 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.798 -7.937 5.072 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.217 -8.158 3.018 1.00 0.00 C ATOM 0 H LEU A 32 -9.648 -9.809 1.348 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.652 -8.171 2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.748 -10.774 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.518 -9.884 4.152 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.119 -9.552 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.577 -7.321 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.282 -8.497 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.085 -7.297 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.982 -7.546 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.545 -7.518 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.692 -8.874 2.348 1.00 0.00 H new ATOM 517 N GLU A 33 -6.424 -11.016 1.171 1.00 0.00 N ATOM 518 CA GLU A 33 -5.187 -11.702 0.818 1.00 0.00 C ATOM 519 C GLU A 33 -4.520 -10.997 -0.359 1.00 0.00 C ATOM 520 O GLU A 33 -3.295 -10.918 -0.442 1.00 0.00 O ATOM 521 CB GLU A 33 -5.465 -13.165 0.467 1.00 0.00 C ATOM 522 CG GLU A 33 -5.406 -14.099 1.665 1.00 0.00 C ATOM 523 CD GLU A 33 -6.001 -15.462 1.369 1.00 0.00 C ATOM 524 OE1 GLU A 33 -7.223 -15.633 1.571 1.00 0.00 O ATOM 525 OE2 GLU A 33 -5.248 -16.359 0.937 1.00 0.00 O ATOM 0 H GLU A 33 -7.273 -11.488 0.859 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.516 -11.675 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.451 -13.239 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.740 -13.496 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.369 -14.219 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.940 -13.647 2.501 1.00 0.00 H new ATOM 532 N GLN A 34 -5.347 -10.476 -1.260 1.00 0.00 N ATOM 533 CA GLN A 34 -4.866 -9.759 -2.434 1.00 0.00 C ATOM 534 C GLN A 34 -4.642 -8.278 -2.126 1.00 0.00 C ATOM 535 O GLN A 34 -4.318 -7.499 -3.021 1.00 0.00 O ATOM 536 CB GLN A 34 -5.858 -9.906 -3.588 1.00 0.00 C ATOM 537 CG GLN A 34 -5.266 -9.565 -4.946 1.00 0.00 C ATOM 538 CD GLN A 34 -4.183 -10.536 -5.371 1.00 0.00 C ATOM 539 OE1 GLN A 34 -4.163 -11.690 -4.944 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.271 -10.070 -6.217 1.00 0.00 N ATOM 0 H GLN A 34 -6.363 -10.539 -1.197 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.910 -10.196 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.228 -10.931 -3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.717 -9.260 -3.403 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.059 -9.562 -5.693 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.853 -8.557 -4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.326 -9.106 -6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.516 -10.676 -6.538 1.00 0.00 H new ATOM 549 N VAL A 35 -4.812 -7.893 -0.860 1.00 0.00 N ATOM 550 CA VAL A 35 -4.613 -6.503 -0.446 1.00 0.00 C ATOM 551 C VAL A 35 -3.660 -6.424 0.743 1.00 0.00 C ATOM 552 O VAL A 35 -2.893 -5.470 0.877 1.00 0.00 O ATOM 553 CB VAL A 35 -5.937 -5.809 -0.044 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.883 -4.330 -0.390 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.150 -6.473 -0.690 1.00 0.00 C ATOM 0 H VAL A 35 -5.086 -8.522 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.194 -5.989 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.051 -5.915 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.821 -3.854 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.058 -3.861 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.731 -4.213 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.057 -5.954 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.057 -6.425 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.204 -7.516 -0.377 1.00 0.00 H new ATOM 565 N GLU A 36 -3.717 -7.436 1.602 1.00 0.00 N ATOM 566 CA GLU A 36 -2.864 -7.494 2.784 1.00 0.00 C ATOM 567 C GLU A 36 -1.453 -7.882 2.387 1.00 0.00 C ATOM 568 O GLU A 36 -0.477 -7.413 2.973 1.00 0.00 O ATOM 569 CB GLU A 36 -3.415 -8.492 3.803 1.00 0.00 C ATOM 570 CG GLU A 36 -2.679 -8.473 5.133 1.00 0.00 C ATOM 571 CD GLU A 36 -1.712 -9.632 5.279 1.00 0.00 C ATOM 572 OE1 GLU A 36 -2.085 -10.766 4.915 1.00 0.00 O ATOM 573 OE2 GLU A 36 -0.581 -9.404 5.759 1.00 0.00 O ATOM 0 H GLU A 36 -4.348 -8.231 1.501 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.848 -6.506 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.469 -8.276 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.361 -9.496 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.133 -7.534 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.404 -8.505 5.946 1.00 0.00 H new ATOM 580 N LYS A 37 -1.352 -8.717 1.361 1.00 0.00 N ATOM 581 CA LYS A 37 -0.057 -9.135 0.857 1.00 0.00 C ATOM 582 C LYS A 37 0.563 -7.967 0.119 1.00 0.00 C ATOM 583 O LYS A 37 1.782 -7.795 0.099 1.00 0.00 O ATOM 584 CB LYS A 37 -0.197 -10.343 -0.070 1.00 0.00 C ATOM 585 CG LYS A 37 -0.115 -11.678 0.651 1.00 0.00 C ATOM 586 CD LYS A 37 -1.459 -12.079 1.238 1.00 0.00 C ATOM 587 CE LYS A 37 -1.295 -13.048 2.397 1.00 0.00 C ATOM 588 NZ LYS A 37 -1.206 -14.460 1.931 1.00 0.00 N ATOM 0 H LYS A 37 -2.150 -9.115 0.865 1.00 0.00 H new ATOM 0 HA LYS A 37 0.582 -9.435 1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.151 -10.280 -0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.585 -10.301 -0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.224 -12.447 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.627 -11.618 1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.988 -11.189 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.073 -12.538 0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.396 -12.794 2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.138 -12.943 3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.095 -15.090 2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.074 -14.711 1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.387 -14.566 1.299 1.00 0.00 H new ATOM 602 N GLU A 38 -0.305 -7.148 -0.468 1.00 0.00 N ATOM 603 CA GLU A 38 0.120 -5.973 -1.187 1.00 0.00 C ATOM 604 C GLU A 38 0.791 -4.989 -0.236 1.00 0.00 C ATOM 605 O GLU A 38 1.970 -4.667 -0.383 1.00 0.00 O ATOM 606 CB GLU A 38 -1.091 -5.316 -1.843 1.00 0.00 C ATOM 607 CG GLU A 38 -2.045 -6.303 -2.497 1.00 0.00 C ATOM 608 CD GLU A 38 -1.437 -6.996 -3.698 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.202 -7.175 -3.714 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.194 -7.360 -4.622 1.00 0.00 O ATOM 0 H GLU A 38 -1.315 -7.288 -0.453 1.00 0.00 H new ATOM 0 HA GLU A 38 0.838 -6.262 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.634 -4.744 -1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.745 -4.607 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.345 -7.052 -1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.949 -5.778 -2.805 1.00 0.00 H new ATOM 617 N LEU A 39 0.030 -4.521 0.747 1.00 0.00 N ATOM 618 CA LEU A 39 0.547 -3.576 1.730 1.00 0.00 C ATOM 619 C LEU A 39 1.874 -4.061 2.307 1.00 0.00 C ATOM 620 O LEU A 39 2.739 -3.258 2.661 1.00 0.00 O ATOM 621 CB LEU A 39 -0.472 -3.367 2.851 1.00 0.00 C ATOM 622 CG LEU A 39 -1.556 -2.328 2.553 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.829 -3.006 2.073 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.834 -1.477 3.782 1.00 0.00 C ATOM 0 H LEU A 39 -0.947 -4.780 0.884 1.00 0.00 H new ATOM 0 HA LEU A 39 0.721 -2.624 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.953 -4.321 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.060 -3.067 3.754 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.195 -1.675 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.588 -2.251 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.620 -3.569 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.193 -3.684 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.607 -0.745 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.172 -2.116 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.922 -0.960 4.080 1.00 0.00 H new ATOM 636 N LEU A 40 2.034 -5.379 2.390 1.00 0.00 N ATOM 637 CA LEU A 40 3.261 -5.964 2.917 1.00 0.00 C ATOM 638 C LEU A 40 4.407 -5.798 1.923 1.00 0.00 C ATOM 639 O LEU A 40 5.572 -5.712 2.313 1.00 0.00 O ATOM 640 CB LEU A 40 3.051 -7.447 3.231 1.00 0.00 C ATOM 641 CG LEU A 40 2.508 -7.741 4.631 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.051 -9.188 4.732 1.00 0.00 C ATOM 643 CD2 LEU A 40 3.561 -7.437 5.685 1.00 0.00 C ATOM 0 H LEU A 40 1.331 -6.059 2.100 1.00 0.00 H new ATOM 0 HA LEU A 40 3.521 -5.441 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.363 -7.865 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.001 -7.967 3.110 1.00 0.00 H new ATOM 0 HG LEU A 40 1.647 -7.096 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.668 -9.379 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.264 -9.373 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.893 -9.850 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.158 -7.652 6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.441 -8.056 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.840 -6.385 5.627 1.00 0.00 H new ATOM 655 N ARG A 41 4.067 -5.751 0.639 1.00 0.00 N ATOM 656 CA ARG A 41 5.066 -5.590 -0.410 1.00 0.00 C ATOM 657 C ARG A 41 5.552 -4.147 -0.475 1.00 0.00 C ATOM 658 O ARG A 41 6.704 -3.883 -0.818 1.00 0.00 O ATOM 659 CB ARG A 41 4.488 -6.010 -1.763 1.00 0.00 C ATOM 660 CG ARG A 41 4.427 -7.517 -1.957 1.00 0.00 C ATOM 661 CD ARG A 41 5.525 -8.009 -2.888 1.00 0.00 C ATOM 662 NE ARG A 41 6.614 -8.654 -2.159 1.00 0.00 N ATOM 663 CZ ARG A 41 7.617 -7.993 -1.582 1.00 0.00 C ATOM 664 NH1 ARG A 41 7.672 -6.668 -1.644 1.00 0.00 N ATOM 665 NH2 ARG A 41 8.567 -8.660 -0.941 1.00 0.00 N ATOM 0 H ARG A 41 3.107 -5.822 0.300 1.00 0.00 H new ATOM 0 HA ARG A 41 5.915 -6.231 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.484 -5.598 -1.863 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.092 -5.574 -2.558 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.520 -8.012 -0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.454 -7.793 -2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.103 -8.712 -3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.919 -7.169 -3.459 1.00 0.00 H new ATOM 0 HE ARG A 41 6.606 -9.671 -2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.944 -6.150 -2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.442 -6.168 -1.200 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.530 -9.678 -0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.335 -8.155 -0.499 1.00 0.00 H new ATOM 679 N VAL A 42 4.664 -3.215 -0.139 1.00 0.00 N ATOM 680 CA VAL A 42 5.004 -1.798 -0.155 1.00 0.00 C ATOM 681 C VAL A 42 5.985 -1.460 0.962 1.00 0.00 C ATOM 682 O VAL A 42 6.772 -0.519 0.848 1.00 0.00 O ATOM 683 CB VAL A 42 3.750 -0.912 -0.012 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.108 0.556 -0.184 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.682 -1.327 -1.013 1.00 0.00 C ATOM 0 H VAL A 42 3.706 -3.416 0.147 1.00 0.00 H new ATOM 0 HA VAL A 42 5.469 -1.595 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 42 3.347 -1.049 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.210 1.164 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.833 0.845 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.539 0.712 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.806 -0.689 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.073 -1.224 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.402 -2.365 -0.836 1.00 0.00 H new ATOM 695 N GLY A 43 5.939 -2.237 2.040 1.00 0.00 N ATOM 696 CA GLY A 43 6.834 -2.006 3.158 1.00 0.00 C ATOM 697 C GLY A 43 8.262 -2.401 2.838 1.00 0.00 C ATOM 698 O GLY A 43 9.201 -1.677 3.165 1.00 0.00 O ATOM 0 H GLY A 43 5.298 -3.022 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.803 -0.952 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.487 -2.572 4.022 1.00 0.00 H new ATOM 702 N GLN A 44 8.423 -3.550 2.191 1.00 0.00 N ATOM 703 CA GLN A 44 9.745 -4.037 1.819 1.00 0.00 C ATOM 704 C GLN A 44 10.409 -3.083 0.833 1.00 0.00 C ATOM 705 O GLN A 44 11.632 -2.939 0.821 1.00 0.00 O ATOM 706 CB GLN A 44 9.644 -5.436 1.208 1.00 0.00 C ATOM 707 CG GLN A 44 10.780 -6.361 1.615 1.00 0.00 C ATOM 708 CD GLN A 44 11.827 -6.512 0.530 1.00 0.00 C ATOM 709 OE1 GLN A 44 11.518 -6.896 -0.599 1.00 0.00 O ATOM 710 NE2 GLN A 44 13.076 -6.208 0.866 1.00 0.00 N ATOM 0 H GLN A 44 7.655 -4.161 1.914 1.00 0.00 H new ATOM 0 HA GLN A 44 10.357 -4.089 2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.696 -5.886 1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.629 -5.349 0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.252 -5.975 2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.374 -7.342 1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.287 -5.894 1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.824 -6.289 0.177 1.00 0.00 H new ATOM 719 N ILE A 45 9.594 -2.429 0.012 1.00 0.00 N ATOM 720 CA ILE A 45 10.098 -1.485 -0.975 1.00 0.00 C ATOM 721 C ILE A 45 10.858 -0.345 -0.299 1.00 0.00 C ATOM 722 O ILE A 45 11.752 0.253 -0.893 1.00 0.00 O ATOM 723 CB ILE A 45 8.951 -0.907 -1.832 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.307 -2.016 -2.665 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.457 0.211 -2.735 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.898 -1.698 -3.112 1.00 0.00 C ATOM 0 H ILE A 45 8.580 -2.537 0.012 1.00 0.00 H new ATOM 0 HA ILE A 45 10.781 -2.030 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 45 8.200 -0.487 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.924 -2.204 -3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.295 -2.937 -2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.630 0.602 -3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.875 1.011 -2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.228 -0.179 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.506 -2.529 -3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.266 -1.540 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.905 -0.795 -3.723 1.00 0.00 H new ATOM 738 N LEU A 46 10.499 -0.051 0.946 1.00 0.00 N ATOM 739 CA LEU A 46 11.157 1.016 1.692 1.00 0.00 C ATOM 740 C LEU A 46 12.484 0.538 2.269 1.00 0.00 C ATOM 741 O LEU A 46 13.422 1.320 2.425 1.00 0.00 O ATOM 742 CB LEU A 46 10.250 1.524 2.815 1.00 0.00 C ATOM 743 CG LEU A 46 8.952 2.198 2.356 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.348 3.011 3.489 1.00 0.00 C ATOM 745 CD2 LEU A 46 9.204 3.083 1.141 1.00 0.00 C ATOM 0 H LEU A 46 9.760 -0.533 1.458 1.00 0.00 H new ATOM 0 HA LEU A 46 11.356 1.835 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.995 0.684 3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.813 2.233 3.422 1.00 0.00 H new ATOM 0 HG LEU A 46 8.244 1.420 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.427 3.483 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.128 2.355 4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.055 3.779 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.270 3.551 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.930 3.855 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.593 2.476 0.323 1.00 0.00 H new ATOM 757 N LYS A 47 12.561 -0.752 2.576 1.00 0.00 N ATOM 758 CA LYS A 47 13.778 -1.334 3.127 1.00 0.00 C ATOM 759 C LYS A 47 14.824 -1.523 2.033 1.00 0.00 C ATOM 760 O LYS A 47 16.025 -1.540 2.304 1.00 0.00 O ATOM 761 CB LYS A 47 13.472 -2.677 3.794 1.00 0.00 C ATOM 762 CG LYS A 47 13.124 -2.557 5.269 1.00 0.00 C ATOM 763 CD LYS A 47 14.372 -2.433 6.127 1.00 0.00 C ATOM 764 CE LYS A 47 14.868 -3.793 6.590 1.00 0.00 C ATOM 765 NZ LYS A 47 16.355 -3.862 6.614 1.00 0.00 N ATOM 0 H LYS A 47 11.795 -1.414 2.453 1.00 0.00 H new ATOM 0 HA LYS A 47 14.175 -0.650 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.642 -3.153 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.336 -3.333 3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.487 -1.686 5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.552 -3.431 5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.157 -1.932 5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.158 -1.808 6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.479 -4.002 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.479 -4.566 5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.654 -4.805 6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.726 -3.688 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.726 -3.141 7.266 1.00 0.00 H new ATOM 779 N GLU A 48 14.356 -1.660 0.796 1.00 0.00 N ATOM 780 CA GLU A 48 15.246 -1.844 -0.343 1.00 0.00 C ATOM 781 C GLU A 48 16.140 -0.620 -0.538 1.00 0.00 C ATOM 782 O GLU A 48 15.659 0.454 -0.901 1.00 0.00 O ATOM 783 CB GLU A 48 14.431 -2.099 -1.612 1.00 0.00 C ATOM 784 CG GLU A 48 14.148 -3.570 -1.869 1.00 0.00 C ATOM 785 CD GLU A 48 15.045 -4.156 -2.942 1.00 0.00 C ATOM 786 OE1 GLU A 48 16.281 -4.102 -2.777 1.00 0.00 O ATOM 787 OE2 GLU A 48 14.509 -4.670 -3.947 1.00 0.00 O ATOM 0 H GLU A 48 13.364 -1.647 0.558 1.00 0.00 H new ATOM 0 HA GLU A 48 15.880 -2.708 -0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.485 -1.563 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.967 -1.686 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.282 -4.129 -0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.106 -3.690 -2.166 1.00 0.00 H new ATOM 794 N PRO A 49 17.458 -0.760 -0.301 1.00 0.00 N ATOM 795 CA PRO A 49 18.407 0.347 -0.457 1.00 0.00 C ATOM 796 C PRO A 49 18.270 1.041 -1.808 1.00 0.00 C ATOM 797 O PRO A 49 18.290 2.268 -1.892 1.00 0.00 O ATOM 798 CB PRO A 49 19.771 -0.335 -0.341 1.00 0.00 C ATOM 799 CG PRO A 49 19.516 -1.549 0.483 1.00 0.00 C ATOM 800 CD PRO A 49 18.126 -2.003 0.135 1.00 0.00 C ATOM 0 HA PRO A 49 18.244 1.131 0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 49 20.167 -0.598 -1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.502 0.319 0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.247 -2.328 0.266 1.00 0.00 H new ATOM 0 HG3 PRO A 49 19.598 -1.323 1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 49 18.135 -2.753 -0.656 1.00 0.00 H new ATOM 0 HD3 PRO A 49 17.623 -2.450 0.993 1.00 0.00 H new ATOM 808 N LYS A 50 18.128 0.246 -2.864 1.00 0.00 N ATOM 809 CA LYS A 50 17.985 0.784 -4.211 1.00 0.00 C ATOM 810 C LYS A 50 16.674 1.551 -4.351 1.00 0.00 C ATOM 811 O LYS A 50 16.580 2.507 -5.122 1.00 0.00 O ATOM 812 CB LYS A 50 18.044 -0.343 -5.243 1.00 0.00 C ATOM 813 CG LYS A 50 18.695 0.066 -6.554 1.00 0.00 C ATOM 814 CD LYS A 50 18.078 -0.668 -7.735 1.00 0.00 C ATOM 815 CE LYS A 50 19.088 -0.874 -8.852 1.00 0.00 C ATOM 816 NZ LYS A 50 19.183 0.316 -9.741 1.00 0.00 N ATOM 0 H LYS A 50 18.109 -0.773 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 50 18.810 1.473 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.595 -1.183 -4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.032 -0.694 -5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.587 1.141 -6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.764 -0.144 -6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.697 -1.634 -7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.227 -0.101 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.067 -1.085 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.804 -1.746 -9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.882 0.135 -10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.255 0.502 -10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.478 1.143 -9.184 1.00 0.00 H new ATOM 830 N MET A 51 15.662 1.124 -3.602 1.00 0.00 N ATOM 831 CA MET A 51 14.356 1.769 -3.640 1.00 0.00 C ATOM 832 C MET A 51 14.381 3.095 -2.888 1.00 0.00 C ATOM 833 O MET A 51 13.770 4.075 -3.316 1.00 0.00 O ATOM 834 CB MET A 51 13.292 0.851 -3.038 1.00 0.00 C ATOM 835 CG MET A 51 12.979 -0.366 -3.894 1.00 0.00 C ATOM 836 SD MET A 51 12.477 0.070 -5.570 1.00 0.00 S ATOM 837 CE MET A 51 10.928 0.912 -5.255 1.00 0.00 C ATOM 0 H MET A 51 15.722 0.333 -2.961 1.00 0.00 H new ATOM 0 HA MET A 51 14.108 1.967 -4.683 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.627 0.517 -2.056 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.376 1.422 -2.886 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.858 -1.009 -3.938 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.185 -0.943 -3.420 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.727 1.617 -6.061 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.121 0.181 -5.202 1.00 0.00 H new ATOM 0 HE3 MET A 51 10.992 1.450 -4.309 1.00 0.00 H new ATOM 847 N ALA A 52 15.091 3.120 -1.764 1.00 0.00 N ATOM 848 CA ALA A 52 15.197 4.327 -0.953 1.00 0.00 C ATOM 849 C ALA A 52 15.723 5.501 -1.772 1.00 0.00 C ATOM 850 O ALA A 52 15.425 6.658 -1.480 1.00 0.00 O ATOM 851 CB ALA A 52 16.094 4.077 0.251 1.00 0.00 C ATOM 0 H ALA A 52 15.601 2.318 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 52 14.198 4.585 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.164 4.987 0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.673 3.276 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.089 3.789 -0.090 1.00 0.00 H new ATOM 857 N ALA A 53 16.507 5.193 -2.801 1.00 0.00 N ATOM 858 CA ALA A 53 17.074 6.221 -3.663 1.00 0.00 C ATOM 859 C ALA A 53 15.991 6.928 -4.474 1.00 0.00 C ATOM 860 O ALA A 53 16.189 8.047 -4.945 1.00 0.00 O ATOM 861 CB ALA A 53 18.116 5.614 -4.591 1.00 0.00 C ATOM 0 H ALA A 53 16.763 4.239 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 53 17.554 6.965 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.532 6.393 -5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.914 5.166 -3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.650 4.848 -5.210 1.00 0.00 H new ATOM 867 N SER A 54 14.847 6.268 -4.637 1.00 0.00 N ATOM 868 CA SER A 54 13.737 6.838 -5.394 1.00 0.00 C ATOM 869 C SER A 54 12.625 7.311 -4.465 1.00 0.00 C ATOM 870 O SER A 54 12.034 8.370 -4.677 1.00 0.00 O ATOM 871 CB SER A 54 13.186 5.808 -6.383 1.00 0.00 C ATOM 872 OG SER A 54 14.165 5.447 -7.341 1.00 0.00 O ATOM 0 H SER A 54 14.665 5.340 -4.256 1.00 0.00 H new ATOM 0 HA SER A 54 14.113 7.700 -5.945 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.857 4.920 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.311 6.216 -6.889 1.00 0.00 H new ATOM 0 HG SER A 54 13.789 4.787 -7.960 1.00 0.00 H new ATOM 878 N LEU A 55 12.344 6.521 -3.435 1.00 0.00 N ATOM 879 CA LEU A 55 11.299 6.859 -2.474 1.00 0.00 C ATOM 880 C LEU A 55 11.548 8.230 -1.851 1.00 0.00 C ATOM 881 O LEU A 55 10.615 8.897 -1.405 1.00 0.00 O ATOM 882 CB LEU A 55 11.224 5.795 -1.378 1.00 0.00 C ATOM 883 CG LEU A 55 10.922 4.379 -1.870 1.00 0.00 C ATOM 884 CD1 LEU A 55 11.555 3.348 -0.950 1.00 0.00 C ATOM 885 CD2 LEU A 55 9.420 4.159 -1.969 1.00 0.00 C ATOM 0 H LEU A 55 12.825 5.642 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 55 10.349 6.892 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.172 5.782 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.455 6.086 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 55 11.353 4.260 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.329 2.346 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.635 3.492 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.155 3.465 0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.223 3.146 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.967 4.297 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.993 4.876 -2.670 1.00 0.00 H new ATOM 897 N LEU A 56 12.811 8.647 -1.823 1.00 0.00 N ATOM 898 CA LEU A 56 13.174 9.939 -1.253 1.00 0.00 C ATOM 899 C LEU A 56 13.915 10.800 -2.272 1.00 0.00 C ATOM 900 O LEU A 56 14.833 11.541 -1.923 1.00 0.00 O ATOM 901 CB LEU A 56 14.041 9.745 -0.007 1.00 0.00 C ATOM 902 CG LEU A 56 13.830 10.785 1.097 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.338 12.148 0.651 1.00 0.00 C ATOM 904 CD2 LEU A 56 12.360 10.862 1.481 1.00 0.00 C ATOM 0 H LEU A 56 13.598 8.110 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 56 12.254 10.453 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.843 8.755 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.089 9.762 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 56 14.399 10.477 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.180 12.874 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.402 12.084 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.796 12.464 -0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.228 11.606 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.771 11.146 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.027 9.889 1.843 1.00 0.00 H new ATOM 916 N ASN A 57 13.511 10.702 -3.534 1.00 0.00 N ATOM 917 CA ASN A 57 14.140 11.477 -4.593 1.00 0.00 C ATOM 918 C ASN A 57 13.115 12.361 -5.302 1.00 0.00 C ATOM 919 O ASN A 57 12.103 11.868 -5.801 1.00 0.00 O ATOM 920 CB ASN A 57 14.814 10.545 -5.604 1.00 0.00 C ATOM 921 CG ASN A 57 16.322 10.698 -5.617 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.922 11.132 -4.635 1.00 0.00 O ATOM 923 ND2 ASN A 57 16.944 10.342 -6.736 1.00 0.00 N ATOM 0 H ASN A 57 12.753 10.095 -3.846 1.00 0.00 H new ATOM 0 HA ASN A 57 14.896 12.119 -4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.559 9.512 -5.368 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.422 10.750 -6.600 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.958 10.424 -6.804 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.407 9.987 -7.527 1.00 0.00 H new ATOM 930 N PRO A 58 13.364 13.682 -5.366 1.00 0.00 N ATOM 931 CA PRO A 58 12.456 14.622 -6.030 1.00 0.00 C ATOM 932 C PRO A 58 12.515 14.504 -7.553 1.00 0.00 C ATOM 933 O PRO A 58 11.804 15.210 -8.269 1.00 0.00 O ATOM 934 CB PRO A 58 12.970 15.987 -5.579 1.00 0.00 C ATOM 935 CG PRO A 58 14.421 15.774 -5.318 1.00 0.00 C ATOM 936 CD PRO A 58 14.550 14.363 -4.809 1.00 0.00 C ATOM 0 HA PRO A 58 11.414 14.438 -5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.812 16.744 -6.347 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.452 16.330 -4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.006 15.915 -6.227 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.794 16.489 -4.585 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.475 13.898 -5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.557 14.329 -3.720 1.00 0.00 H new ATOM 944 N TYR A 59 13.371 13.608 -8.037 1.00 0.00 N ATOM 945 CA TYR A 59 13.534 13.390 -9.467 1.00 0.00 C ATOM 946 C TYR A 59 12.444 12.471 -10.006 1.00 0.00 C ATOM 947 O TYR A 59 12.034 12.585 -11.161 1.00 0.00 O ATOM 948 CB TYR A 59 14.912 12.785 -9.741 1.00 0.00 C ATOM 949 CG TYR A 59 16.043 13.532 -9.067 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.339 13.321 -7.725 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.809 14.451 -9.772 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.369 14.005 -7.107 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.842 15.137 -9.160 1.00 0.00 C ATOM 954 CZ TYR A 59 18.117 14.910 -7.828 1.00 0.00 C ATOM 955 OH TYR A 59 19.143 15.593 -7.215 1.00 0.00 O ATOM 0 H TYR A 59 13.965 13.019 -7.453 1.00 0.00 H new ATOM 0 HA TYR A 59 13.451 14.350 -9.976 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.919 11.749 -9.403 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.087 12.771 -10.817 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.755 12.612 -7.157 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.595 14.633 -10.815 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.586 13.831 -6.064 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.430 15.847 -9.722 1.00 0.00 H new ATOM 0 HH TYR A 59 19.571 16.191 -7.863 1.00 0.00 H new ATOM 965 N VAL A 60 11.978 11.556 -9.160 1.00 0.00 N ATOM 966 CA VAL A 60 10.935 10.615 -9.548 1.00 0.00 C ATOM 967 C VAL A 60 9.676 11.339 -10.016 1.00 0.00 C ATOM 968 O VAL A 60 8.863 10.775 -10.748 1.00 0.00 O ATOM 969 CB VAL A 60 10.569 9.675 -8.383 1.00 0.00 C ATOM 970 CG1 VAL A 60 11.758 8.803 -8.007 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.082 10.474 -7.184 1.00 0.00 C ATOM 0 H VAL A 60 12.308 11.447 -8.201 1.00 0.00 H new ATOM 0 HA VAL A 60 11.335 10.026 -10.373 1.00 0.00 H new ATOM 0 HB VAL A 60 9.758 9.023 -8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.481 8.146 -7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.055 8.202 -8.867 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.591 9.436 -7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 60 9.828 9.793 -6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.869 11.153 -6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.199 11.049 -7.464 1.00 0.00 H new ATOM 981 N LYS A 61 9.520 12.589 -9.590 1.00 0.00 N ATOM 982 CA LYS A 61 8.358 13.385 -9.969 1.00 0.00 C ATOM 983 C LYS A 61 7.072 12.746 -9.456 1.00 0.00 C ATOM 984 O LYS A 61 7.106 11.744 -8.743 1.00 0.00 O ATOM 985 CB LYS A 61 8.293 13.542 -11.490 1.00 0.00 C ATOM 986 CG LYS A 61 9.529 14.194 -12.087 1.00 0.00 C ATOM 987 CD LYS A 61 9.318 15.682 -12.316 1.00 0.00 C ATOM 988 CE LYS A 61 10.601 16.467 -12.092 1.00 0.00 C ATOM 989 NZ LYS A 61 10.727 16.936 -10.684 1.00 0.00 N ATOM 0 H LYS A 61 10.183 13.072 -8.983 1.00 0.00 H new ATOM 0 HA LYS A 61 8.460 14.371 -9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.156 12.560 -11.943 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.417 14.137 -11.748 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.379 14.044 -11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.776 13.711 -13.032 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.961 15.848 -13.333 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.543 16.049 -11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.458 15.842 -12.344 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.623 17.325 -12.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.377 17.747 -10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.793 17.224 -10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.099 16.165 -10.093 1.00 0.00 H new ATOM 1003 N ARG A 62 5.936 13.334 -9.822 1.00 0.00 N ATOM 1004 CA ARG A 62 4.640 12.821 -9.398 1.00 0.00 C ATOM 1005 C ARG A 62 3.979 12.016 -10.512 1.00 0.00 C ATOM 1006 O ARG A 62 3.373 10.973 -10.263 1.00 0.00 O ATOM 1007 CB ARG A 62 3.726 13.973 -8.973 1.00 0.00 C ATOM 1008 CG ARG A 62 2.886 13.661 -7.744 1.00 0.00 C ATOM 1009 CD ARG A 62 1.476 14.215 -7.876 1.00 0.00 C ATOM 1010 NE ARG A 62 1.352 15.544 -7.284 1.00 0.00 N ATOM 1011 CZ ARG A 62 0.188 16.142 -7.043 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -0.953 15.534 -7.341 1.00 0.00 N ATOM 1013 NH2 ARG A 62 0.164 17.353 -6.502 1.00 0.00 N ATOM 0 H ARG A 62 5.889 14.165 -10.411 1.00 0.00 H new ATOM 0 HA ARG A 62 4.801 12.160 -8.546 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.335 14.854 -8.772 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.064 14.225 -9.801 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.842 12.582 -7.597 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.363 14.084 -6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.202 14.261 -8.930 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.773 13.536 -7.393 1.00 0.00 H new ATOM 0 HE ARG A 62 2.208 16.043 -7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.941 14.603 -7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.842 15.998 -7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.038 17.826 -6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.728 17.811 -6.317 1.00 0.00 H new ATOM 1027 N SER A 63 4.100 12.504 -11.742 1.00 0.00 N ATOM 1028 CA SER A 63 3.511 11.826 -12.893 1.00 0.00 C ATOM 1029 C SER A 63 4.441 10.738 -13.420 1.00 0.00 C ATOM 1030 O SER A 63 3.990 9.769 -14.032 1.00 0.00 O ATOM 1031 CB SER A 63 3.201 12.833 -14.003 1.00 0.00 C ATOM 1032 OG SER A 63 2.166 13.719 -13.612 1.00 0.00 O ATOM 0 H SER A 63 4.599 13.364 -11.968 1.00 0.00 H new ATOM 0 HA SER A 63 2.582 11.357 -12.569 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.099 13.402 -14.244 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.907 12.302 -14.909 1.00 0.00 H new ATOM 0 HG SER A 63 1.987 14.354 -14.337 1.00 0.00 H new ATOM 1038 N VAL A 64 5.736 10.894 -13.174 1.00 0.00 N ATOM 1039 CA VAL A 64 6.715 9.912 -13.618 1.00 0.00 C ATOM 1040 C VAL A 64 6.878 8.812 -12.577 1.00 0.00 C ATOM 1041 O VAL A 64 7.203 7.672 -12.909 1.00 0.00 O ATOM 1042 CB VAL A 64 8.086 10.561 -13.892 1.00 0.00 C ATOM 1043 CG1 VAL A 64 9.036 9.555 -14.523 1.00 0.00 C ATOM 1044 CG2 VAL A 64 7.928 11.787 -14.778 1.00 0.00 C ATOM 0 H VAL A 64 6.131 11.689 -12.671 1.00 0.00 H new ATOM 0 HA VAL A 64 6.343 9.483 -14.549 1.00 0.00 H new ATOM 0 HB VAL A 64 8.513 10.881 -12.942 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.999 10.031 -14.709 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.173 8.711 -13.847 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.618 9.201 -15.465 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.906 12.232 -14.961 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.479 11.495 -15.727 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.285 12.514 -14.282 1.00 0.00 H new ATOM 1054 N LYS A 65 6.638 9.161 -11.317 1.00 0.00 N ATOM 1055 CA LYS A 65 6.745 8.203 -10.227 1.00 0.00 C ATOM 1056 C LYS A 65 5.493 7.336 -10.154 1.00 0.00 C ATOM 1057 O LYS A 65 5.543 6.195 -9.694 1.00 0.00 O ATOM 1058 CB LYS A 65 6.957 8.930 -8.897 1.00 0.00 C ATOM 1059 CG LYS A 65 7.101 7.994 -7.708 1.00 0.00 C ATOM 1060 CD LYS A 65 8.374 7.168 -7.799 1.00 0.00 C ATOM 1061 CE LYS A 65 8.145 5.738 -7.339 1.00 0.00 C ATOM 1062 NZ LYS A 65 9.135 4.797 -7.931 1.00 0.00 N ATOM 0 H LYS A 65 6.368 10.101 -11.027 1.00 0.00 H new ATOM 0 HA LYS A 65 7.605 7.561 -10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.850 9.551 -8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.116 9.601 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.108 8.575 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.238 7.330 -7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.735 7.167 -8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.151 7.627 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.207 5.693 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.138 5.425 -7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.350 4.044 -7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.740 4.377 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.008 5.312 -8.164 1.00 0.00 H new ATOM 1076 N VAL A 66 4.370 7.882 -10.614 1.00 0.00 N ATOM 1077 CA VAL A 66 3.110 7.151 -10.602 1.00 0.00 C ATOM 1078 C VAL A 66 3.106 6.058 -11.667 1.00 0.00 C ATOM 1079 O VAL A 66 2.476 5.014 -11.496 1.00 0.00 O ATOM 1080 CB VAL A 66 1.905 8.092 -10.827 1.00 0.00 C ATOM 1081 CG1 VAL A 66 1.926 8.683 -12.229 1.00 0.00 C ATOM 1082 CG2 VAL A 66 0.599 7.354 -10.572 1.00 0.00 C ATOM 0 H VAL A 66 4.309 8.825 -10.998 1.00 0.00 H new ATOM 0 HA VAL A 66 3.014 6.695 -9.617 1.00 0.00 H new ATOM 0 HB VAL A 66 1.981 8.916 -10.117 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.067 9.341 -12.359 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.844 9.253 -12.370 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.882 7.879 -12.964 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.239 8.031 -10.735 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.520 6.508 -11.255 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.580 6.993 -9.544 1.00 0.00 H new ATOM 1092 N LYS A 67 3.817 6.303 -12.764 1.00 0.00 N ATOM 1093 CA LYS A 67 3.897 5.335 -13.852 1.00 0.00 C ATOM 1094 C LYS A 67 4.648 4.086 -13.405 1.00 0.00 C ATOM 1095 O LYS A 67 4.243 2.964 -13.709 1.00 0.00 O ATOM 1096 CB LYS A 67 4.588 5.955 -15.067 1.00 0.00 C ATOM 1097 CG LYS A 67 3.772 7.046 -15.740 1.00 0.00 C ATOM 1098 CD LYS A 67 2.547 6.478 -16.435 1.00 0.00 C ATOM 1099 CE LYS A 67 1.349 7.405 -16.300 1.00 0.00 C ATOM 1100 NZ LYS A 67 1.169 8.259 -17.506 1.00 0.00 N ATOM 0 H LYS A 67 4.345 7.161 -12.922 1.00 0.00 H new ATOM 0 HA LYS A 67 2.883 5.050 -14.131 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.547 6.369 -14.757 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.800 5.171 -15.794 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.462 7.780 -14.997 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.393 7.570 -16.466 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.768 6.318 -17.490 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.305 5.504 -16.009 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.448 6.813 -16.137 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.477 8.039 -15.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.342 8.876 -17.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.018 8.843 -17.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.021 7.655 -18.340 1.00 0.00 H new ATOM 1114 N SER A 68 5.741 4.287 -12.676 1.00 0.00 N ATOM 1115 CA SER A 68 6.543 3.176 -12.181 1.00 0.00 C ATOM 1116 C SER A 68 5.703 2.254 -11.301 1.00 0.00 C ATOM 1117 O SER A 68 6.006 1.070 -11.158 1.00 0.00 O ATOM 1118 CB SER A 68 7.745 3.698 -11.392 1.00 0.00 C ATOM 1119 OG SER A 68 7.372 4.064 -10.076 1.00 0.00 O ATOM 0 H SER A 68 6.091 5.209 -12.415 1.00 0.00 H new ATOM 0 HA SER A 68 6.902 2.607 -13.038 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.519 2.932 -11.354 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.174 4.559 -11.904 1.00 0.00 H new ATOM 0 HG SER A 68 6.740 4.812 -10.111 1.00 0.00 H new ATOM 1125 N LEU A 69 4.643 2.807 -10.716 1.00 0.00 N ATOM 1126 CA LEU A 69 3.757 2.036 -9.854 1.00 0.00 C ATOM 1127 C LEU A 69 3.021 0.961 -10.649 1.00 0.00 C ATOM 1128 O LEU A 69 2.629 -0.069 -10.104 1.00 0.00 O ATOM 1129 CB LEU A 69 2.750 2.960 -9.166 1.00 0.00 C ATOM 1130 CG LEU A 69 3.342 4.243 -8.581 1.00 0.00 C ATOM 1131 CD1 LEU A 69 2.268 5.049 -7.865 1.00 0.00 C ATOM 1132 CD2 LEU A 69 4.486 3.917 -7.633 1.00 0.00 C ATOM 0 H LEU A 69 4.379 3.786 -10.825 1.00 0.00 H new ATOM 0 HA LEU A 69 4.366 1.545 -9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.977 3.230 -9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.260 2.406 -8.365 1.00 0.00 H new ATOM 0 HG LEU A 69 3.734 4.846 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.708 5.958 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.480 5.313 -8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.845 4.454 -7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.896 4.841 -7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.117 3.294 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.266 3.382 -8.175 1.00 0.00 H new ATOM 1144 N SER A 70 2.836 1.209 -11.943 1.00 0.00 N ATOM 1145 CA SER A 70 2.150 0.258 -12.807 1.00 0.00 C ATOM 1146 C SER A 70 3.038 -0.945 -13.102 1.00 0.00 C ATOM 1147 O SER A 70 2.550 -2.060 -13.282 1.00 0.00 O ATOM 1148 CB SER A 70 1.732 0.934 -14.115 1.00 0.00 C ATOM 1149 OG SER A 70 0.468 0.464 -14.552 1.00 0.00 O ATOM 0 H SER A 70 3.151 2.058 -12.413 1.00 0.00 H new ATOM 0 HA SER A 70 1.258 -0.091 -12.287 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.693 2.014 -13.973 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.481 0.741 -14.883 1.00 0.00 H new ATOM 0 HG SER A 70 0.223 0.913 -15.388 1.00 0.00 H new ATOM 1155 N ASP A 71 4.347 -0.713 -13.146 1.00 0.00 N ATOM 1156 CA ASP A 71 5.302 -1.783 -13.416 1.00 0.00 C ATOM 1157 C ASP A 71 5.778 -2.439 -12.122 1.00 0.00 C ATOM 1158 O ASP A 71 6.548 -3.398 -12.152 1.00 0.00 O ATOM 1159 CB ASP A 71 6.497 -1.246 -14.204 1.00 0.00 C ATOM 1160 CG ASP A 71 6.114 -0.792 -15.599 1.00 0.00 C ATOM 1161 OD1 ASP A 71 5.429 0.246 -15.718 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.496 -1.474 -16.572 1.00 0.00 O ATOM 0 H ASP A 71 4.770 0.204 -12.999 1.00 0.00 H new ATOM 0 HA ASP A 71 4.794 -2.540 -14.014 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.940 -0.410 -13.662 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.260 -2.021 -14.274 1.00 0.00 H new ATOM 1167 N MET A 72 5.296 -1.937 -10.990 1.00 0.00 N ATOM 1168 CA MET A 72 5.653 -2.499 -9.695 1.00 0.00 C ATOM 1169 C MET A 72 4.462 -3.269 -9.146 1.00 0.00 C ATOM 1170 O MET A 72 4.613 -4.237 -8.400 1.00 0.00 O ATOM 1171 CB MET A 72 6.092 -1.395 -8.722 1.00 0.00 C ATOM 1172 CG MET A 72 4.949 -0.746 -7.954 1.00 0.00 C ATOM 1173 SD MET A 72 5.505 0.593 -6.880 1.00 0.00 S ATOM 1174 CE MET A 72 4.116 0.725 -5.758 1.00 0.00 C ATOM 0 H MET A 72 4.658 -1.143 -10.944 1.00 0.00 H new ATOM 0 HA MET A 72 6.496 -3.179 -9.815 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.800 -1.816 -8.009 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.623 -0.624 -9.281 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.215 -0.359 -8.661 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.444 -1.503 -7.353 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.892 1.777 -5.578 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.245 0.239 -6.198 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.364 0.240 -4.814 1.00 0.00 H new ATOM 1184 N THR A 73 3.273 -2.836 -9.552 1.00 0.00 N ATOM 1185 CA THR A 73 2.038 -3.474 -9.146 1.00 0.00 C ATOM 1186 C THR A 73 1.899 -4.818 -9.856 1.00 0.00 C ATOM 1187 O THR A 73 1.321 -5.761 -9.316 1.00 0.00 O ATOM 1188 CB THR A 73 0.858 -2.545 -9.469 1.00 0.00 C ATOM 1189 OG1 THR A 73 0.735 -1.529 -8.494 1.00 0.00 O ATOM 1190 CG2 THR A 73 -0.482 -3.233 -9.569 1.00 0.00 C ATOM 0 H THR A 73 3.145 -2.035 -10.170 1.00 0.00 H new ATOM 0 HA THR A 73 2.045 -3.659 -8.072 1.00 0.00 H new ATOM 0 HB THR A 73 1.101 -2.142 -10.452 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.346 -0.793 -8.709 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.252 -2.497 -9.800 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.448 -3.983 -10.359 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.714 -3.716 -8.620 1.00 0.00 H new ATOM 1198 N ALA A 74 2.443 -4.899 -11.070 1.00 0.00 N ATOM 1199 CA ALA A 74 2.388 -6.130 -11.847 1.00 0.00 C ATOM 1200 C ALA A 74 3.592 -7.024 -11.554 1.00 0.00 C ATOM 1201 O ALA A 74 3.797 -8.038 -12.222 1.00 0.00 O ATOM 1202 CB ALA A 74 2.314 -5.812 -13.333 1.00 0.00 C ATOM 0 H ALA A 74 2.924 -4.128 -11.533 1.00 0.00 H new ATOM 0 HA ALA A 74 1.489 -6.673 -11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.273 -6.741 -13.902 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.419 -5.223 -13.535 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.196 -5.244 -13.628 1.00 0.00 H new ATOM 1208 N LYS A 75 4.386 -6.645 -10.553 1.00 0.00 N ATOM 1209 CA LYS A 75 5.565 -7.417 -10.181 1.00 0.00 C ATOM 1210 C LYS A 75 5.510 -7.823 -8.711 1.00 0.00 C ATOM 1211 O LYS A 75 5.785 -8.973 -8.364 1.00 0.00 O ATOM 1212 CB LYS A 75 6.836 -6.610 -10.450 1.00 0.00 C ATOM 1213 CG LYS A 75 7.267 -6.623 -11.908 1.00 0.00 C ATOM 1214 CD LYS A 75 8.326 -7.684 -12.166 1.00 0.00 C ATOM 1215 CE LYS A 75 7.702 -9.053 -12.380 1.00 0.00 C ATOM 1216 NZ LYS A 75 6.765 -9.061 -13.538 1.00 0.00 N ATOM 0 H LYS A 75 4.232 -5.810 -9.988 1.00 0.00 H new ATOM 0 HA LYS A 75 5.581 -8.321 -10.789 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.675 -5.579 -10.136 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.645 -7.007 -9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.401 -6.810 -12.543 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.658 -5.643 -12.182 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.912 -7.409 -13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.015 -7.725 -11.322 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.489 -9.789 -12.545 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.168 -9.354 -11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.971 -9.879 -14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.786 -9.125 -13.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.882 -8.185 -14.086 1.00 0.00 H new ATOM 1230 N GLU A 76 5.151 -6.875 -7.850 1.00 0.00 N ATOM 1231 CA GLU A 76 5.058 -7.141 -6.420 1.00 0.00 C ATOM 1232 C GLU A 76 3.898 -8.083 -6.121 1.00 0.00 C ATOM 1233 O GLU A 76 4.083 -9.145 -5.528 1.00 0.00 O ATOM 1234 CB GLU A 76 4.883 -5.834 -5.646 1.00 0.00 C ATOM 1235 CG GLU A 76 6.196 -5.148 -5.305 1.00 0.00 C ATOM 1236 CD GLU A 76 7.065 -4.915 -6.524 1.00 0.00 C ATOM 1237 OE1 GLU A 76 6.809 -3.937 -7.258 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.004 -5.710 -6.744 1.00 0.00 O ATOM 0 H GLU A 76 4.920 -5.918 -8.118 1.00 0.00 H new ATOM 0 HA GLU A 76 5.984 -7.619 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.269 -5.152 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.339 -6.038 -4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.988 -4.192 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.743 -5.756 -4.584 1.00 0.00 H new ATOM 1245 N LYS A 77 2.704 -7.681 -6.545 1.00 0.00 N ATOM 1246 CA LYS A 77 1.490 -8.470 -6.342 1.00 0.00 C ATOM 1247 C LYS A 77 0.253 -7.619 -6.613 1.00 0.00 C ATOM 1248 O LYS A 77 -0.793 -8.137 -7.007 1.00 0.00 O ATOM 1249 CB LYS A 77 1.431 -9.044 -4.921 1.00 0.00 C ATOM 1250 CG LYS A 77 1.880 -10.495 -4.831 1.00 0.00 C ATOM 1251 CD LYS A 77 0.694 -11.445 -4.813 1.00 0.00 C ATOM 1252 CE LYS A 77 1.083 -12.829 -5.310 1.00 0.00 C ATOM 1253 NZ LYS A 77 -0.068 -13.541 -5.930 1.00 0.00 N ATOM 0 H LYS A 77 2.549 -6.802 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 77 1.512 -9.303 -7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.057 -8.437 -4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.410 -8.965 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.524 -10.731 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.475 -10.637 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.300 -11.518 -3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.105 -11.044 -5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.889 -12.740 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.469 -13.418 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.239 -14.480 -6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.828 -13.649 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.420 -12.992 -6.740 1.00 0.00 H new ATOM 1267 N PHE A 78 0.381 -6.307 -6.402 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.717 -5.373 -6.628 1.00 0.00 C ATOM 1269 C PHE A 78 -1.397 -5.610 -7.953 1.00 0.00 C ATOM 1270 O PHE A 78 -0.990 -6.466 -8.737 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.215 -3.939 -6.618 1.00 0.00 C ATOM 1272 CG PHE A 78 0.762 -3.629 -5.542 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.744 -4.308 -4.339 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.719 -2.662 -5.755 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.673 -4.019 -3.365 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.653 -2.370 -4.789 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.632 -3.051 -3.588 1.00 0.00 C ATOM 0 H PHE A 78 1.241 -5.868 -6.073 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.429 -5.538 -5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.246 -3.724 -7.582 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.070 -3.270 -6.517 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.002 -5.069 -4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.736 -2.126 -6.693 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.652 -4.550 -2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.400 -1.611 -4.969 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.363 -2.827 -2.825 1.00 0.00 H new ATOM 1287 N SER A 79 -2.414 -4.793 -8.198 1.00 0.00 N ATOM 1288 CA SER A 79 -3.179 -4.826 -9.439 1.00 0.00 C ATOM 1289 C SER A 79 -4.659 -4.582 -9.185 1.00 0.00 C ATOM 1290 O SER A 79 -5.288 -3.793 -9.888 1.00 0.00 O ATOM 1291 CB SER A 79 -3.007 -6.149 -10.199 1.00 0.00 C ATOM 1292 OG SER A 79 -1.849 -6.123 -11.014 1.00 0.00 O ATOM 0 H SER A 79 -2.733 -4.084 -7.537 1.00 0.00 H new ATOM 0 HA SER A 79 -2.781 -4.022 -10.058 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.937 -6.973 -9.489 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.886 -6.334 -10.817 1.00 0.00 H new ATOM 0 HG SER A 79 -1.071 -6.401 -10.486 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.261 -5.298 -8.222 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.674 -5.187 -7.940 1.00 0.00 C ATOM 1300 C PRO A 80 -7.034 -4.351 -6.717 1.00 0.00 C ATOM 1301 O PRO A 80 -7.732 -3.345 -6.847 1.00 0.00 O ATOM 1302 CB PRO A 80 -7.048 -6.649 -7.721 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.809 -7.290 -7.151 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.656 -6.329 -7.378 1.00 0.00 C ATOM 0 HA PRO A 80 -7.203 -4.668 -8.740 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.891 -6.742 -7.036 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.343 -7.125 -8.656 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.936 -7.493 -6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.613 -8.246 -7.637 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.281 -5.917 -6.441 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.815 -6.815 -7.872 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.587 -4.753 -5.530 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.920 -3.997 -4.335 1.00 0.00 C ATOM 1314 C LEU A 81 -5.768 -3.099 -3.943 1.00 0.00 C ATOM 1315 O LEU A 81 -5.746 -2.523 -2.857 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.291 -4.933 -3.192 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.688 -5.557 -3.297 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.759 -4.522 -2.985 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.908 -6.149 -4.681 1.00 0.00 C ATOM 0 H LEU A 81 -6.008 -5.578 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.785 -3.371 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.554 -5.734 -3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.225 -4.382 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.760 -6.361 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.744 -4.982 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.616 -4.144 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.686 -3.697 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.905 -6.587 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.815 -5.364 -5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.162 -6.921 -4.869 1.00 0.00 H new ATOM 1331 N THR A 82 -4.816 -2.980 -4.853 1.00 0.00 N ATOM 1332 CA THR A 82 -3.659 -2.148 -4.637 1.00 0.00 C ATOM 1333 C THR A 82 -3.421 -1.232 -5.828 1.00 0.00 C ATOM 1334 O THR A 82 -2.524 -0.396 -5.798 1.00 0.00 O ATOM 1335 CB THR A 82 -2.431 -3.003 -4.377 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.778 -4.372 -4.295 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.720 -2.619 -3.097 1.00 0.00 C ATOM 0 H THR A 82 -4.829 -3.457 -5.755 1.00 0.00 H new ATOM 0 HA THR A 82 -3.846 -1.528 -3.760 1.00 0.00 H new ATOM 0 HB THR A 82 -1.760 -2.829 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.130 -4.673 -5.159 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.850 -3.260 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.399 -1.579 -3.157 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.399 -2.741 -2.253 1.00 0.00 H new ATOM 1345 N SER A 83 -4.233 -1.373 -6.876 1.00 0.00 N ATOM 1346 CA SER A 83 -4.078 -0.526 -8.047 1.00 0.00 C ATOM 1347 C SER A 83 -4.847 0.780 -7.874 1.00 0.00 C ATOM 1348 O SER A 83 -5.227 1.432 -8.846 1.00 0.00 O ATOM 1349 CB SER A 83 -4.550 -1.243 -9.309 1.00 0.00 C ATOM 1350 OG SER A 83 -3.519 -2.042 -9.859 1.00 0.00 O ATOM 0 H SER A 83 -4.990 -2.054 -6.934 1.00 0.00 H new ATOM 0 HA SER A 83 -3.017 -0.300 -8.153 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.412 -1.867 -9.075 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.878 -0.510 -10.046 1.00 0.00 H new ATOM 0 HG SER A 83 -3.906 -2.694 -10.480 1.00 0.00 H new ATOM 1356 N ASN A 84 -5.046 1.152 -6.623 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.738 2.375 -6.259 1.00 0.00 C ATOM 1358 C ASN A 84 -5.013 2.953 -5.066 1.00 0.00 C ATOM 1359 O ASN A 84 -4.670 4.134 -5.030 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.206 2.099 -5.921 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.152 2.617 -6.987 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -9.102 3.341 -6.689 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -7.896 2.249 -8.236 1.00 0.00 N ATOM 0 H ASN A 84 -4.728 0.607 -5.822 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.736 3.078 -7.092 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.352 1.026 -5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.450 2.564 -4.966 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.498 2.568 -8.995 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.097 1.648 -8.437 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.724 2.072 -4.116 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.970 2.445 -2.946 1.00 0.00 C ATOM 1372 C LEU A 85 -2.542 2.765 -3.379 1.00 0.00 C ATOM 1373 O LEU A 85 -1.801 3.436 -2.661 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.978 1.309 -1.915 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.990 1.468 -0.757 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.469 2.538 0.211 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.797 0.142 -0.034 1.00 0.00 C ATOM 0 H LEU A 85 -5.006 1.092 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.421 3.319 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.983 1.222 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.762 0.373 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.029 1.780 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.754 2.637 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.555 3.490 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.442 2.256 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.091 0.274 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.754 -0.199 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.408 -0.599 -0.732 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.163 2.284 -4.576 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.832 2.536 -5.096 1.00 0.00 C ATOM 1391 C ILE A 86 -0.647 4.023 -5.385 1.00 0.00 C ATOM 1392 O ILE A 86 0.335 4.632 -4.964 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.551 1.701 -6.374 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.459 0.596 -6.066 1.00 0.00 C ATOM 1395 CG2 ILE A 86 -0.046 2.571 -7.520 1.00 0.00 C ATOM 1396 CD1 ILE A 86 -0.010 -0.371 -5.003 1.00 0.00 C ATOM 0 H ILE A 86 -2.761 1.726 -5.186 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.116 2.230 -4.334 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.493 1.253 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.671 0.043 -6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.396 1.051 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.139 1.948 -8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.795 3.325 -7.762 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.880 3.063 -7.223 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.756 -1.128 -4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.194 0.170 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.931 -0.853 -5.331 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.605 4.599 -6.106 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.556 6.015 -6.448 1.00 0.00 C ATOM 1410 C ASN A 87 -1.737 6.874 -5.204 1.00 0.00 C ATOM 1411 O ASN A 87 -1.220 7.990 -5.125 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.639 6.351 -7.476 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.264 5.908 -8.877 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.934 6.729 -9.732 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.316 4.603 -9.120 1.00 0.00 N ATOM 0 H ASN A 87 -2.423 4.106 -6.464 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.578 6.228 -6.880 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.574 5.872 -7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.817 7.426 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.077 4.247 -10.045 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.595 3.957 -8.381 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.473 6.347 -4.231 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.723 7.062 -2.986 1.00 0.00 C ATOM 1424 C LEU A 88 -1.476 7.077 -2.110 1.00 0.00 C ATOM 1425 O LEU A 88 -1.175 8.081 -1.462 1.00 0.00 O ATOM 1426 CB LEU A 88 -3.887 6.418 -2.229 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.852 7.404 -1.569 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -5.864 7.917 -2.581 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.559 6.748 -0.392 1.00 0.00 C ATOM 0 H LEU A 88 -2.907 5.425 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.985 8.091 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.449 5.791 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.481 5.760 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.278 8.253 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.543 8.617 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.342 8.423 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.434 7.079 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.242 7.463 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.121 5.882 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.821 6.428 0.344 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.751 5.964 -2.093 1.00 0.00 N ATOM 1442 CA LEU A 89 0.464 5.862 -1.295 1.00 0.00 C ATOM 1443 C LEU A 89 1.563 6.746 -1.876 1.00 0.00 C ATOM 1444 O LEU A 89 2.422 7.246 -1.149 1.00 0.00 O ATOM 1445 CB LEU A 89 0.934 4.409 -1.221 1.00 0.00 C ATOM 1446 CG LEU A 89 0.624 3.702 0.099 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.798 2.198 -0.044 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.511 4.242 1.210 1.00 0.00 C ATOM 0 H LEU A 89 -0.983 5.123 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 89 0.241 6.207 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.471 3.850 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.011 4.381 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.415 3.900 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.573 1.714 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.120 1.825 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.826 1.976 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.278 3.729 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.557 4.074 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.334 5.311 1.330 1.00 0.00 H new ATOM 1460 N ALA A 90 1.524 6.939 -3.189 1.00 0.00 N ATOM 1461 CA ALA A 90 2.508 7.769 -3.871 1.00 0.00 C ATOM 1462 C ALA A 90 1.868 9.048 -4.400 1.00 0.00 C ATOM 1463 O ALA A 90 2.364 9.653 -5.351 1.00 0.00 O ATOM 1464 CB ALA A 90 3.160 6.992 -5.004 1.00 0.00 C ATOM 0 H ALA A 90 0.820 6.531 -3.803 1.00 0.00 H new ATOM 0 HA ALA A 90 3.277 8.048 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.893 7.625 -5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.657 6.110 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.398 6.684 -5.720 1.00 0.00 H new ATOM 1470 N GLU A 91 0.763 9.455 -3.780 1.00 0.00 N ATOM 1471 CA GLU A 91 0.056 10.662 -4.190 1.00 0.00 C ATOM 1472 C GLU A 91 0.665 11.897 -3.536 1.00 0.00 C ATOM 1473 O GLU A 91 0.895 12.911 -4.195 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.427 10.558 -3.830 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.357 10.986 -4.954 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.794 11.139 -4.495 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.145 10.568 -3.442 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.568 11.832 -5.190 1.00 0.00 O ATOM 0 H GLU A 91 0.339 8.966 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 91 0.153 10.760 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.654 9.528 -3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.623 11.174 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.009 11.932 -5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.312 10.251 -5.757 1.00 0.00 H new ATOM 1485 N ASN A 92 0.923 11.806 -2.236 1.00 0.00 N ATOM 1486 CA ASN A 92 1.504 12.920 -1.495 1.00 0.00 C ATOM 1487 C ASN A 92 2.764 12.489 -0.746 1.00 0.00 C ATOM 1488 O ASN A 92 3.202 13.165 0.186 1.00 0.00 O ATOM 1489 CB ASN A 92 0.483 13.490 -0.509 1.00 0.00 C ATOM 1490 CG ASN A 92 0.043 12.471 0.523 1.00 0.00 C ATOM 1491 OD1 ASN A 92 0.789 12.143 1.446 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -1.174 11.962 0.372 1.00 0.00 N ATOM 0 H ASN A 92 0.740 10.974 -1.674 1.00 0.00 H new ATOM 0 HA ASN A 92 1.780 13.692 -2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.915 14.353 -0.002 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.389 13.846 -1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -1.524 11.271 1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.759 12.262 -0.408 1.00 0.00 H new ATOM 1499 N GLY A 93 3.344 11.365 -1.156 1.00 0.00 N ATOM 1500 CA GLY A 93 4.545 10.874 -0.509 1.00 0.00 C ATOM 1501 C GLY A 93 4.242 10.114 0.766 1.00 0.00 C ATOM 1502 O GLY A 93 4.779 10.430 1.828 1.00 0.00 O ATOM 0 H GLY A 93 3.003 10.787 -1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.086 10.224 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.202 11.714 -0.281 1.00 0.00 H new ATOM 1506 N ARG A 94 3.379 9.109 0.662 1.00 0.00 N ATOM 1507 CA ARG A 94 3.004 8.304 1.816 1.00 0.00 C ATOM 1508 C ARG A 94 3.822 7.017 1.875 1.00 0.00 C ATOM 1509 O ARG A 94 3.362 6.001 2.397 1.00 0.00 O ATOM 1510 CB ARG A 94 1.511 7.972 1.771 1.00 0.00 C ATOM 1511 CG ARG A 94 0.962 7.458 3.092 1.00 0.00 C ATOM 1512 CD ARG A 94 0.414 8.590 3.947 1.00 0.00 C ATOM 1513 NE ARG A 94 1.480 9.423 4.499 1.00 0.00 N ATOM 1514 CZ ARG A 94 1.289 10.652 4.975 1.00 0.00 C ATOM 1515 NH1 ARG A 94 0.077 11.193 4.968 1.00 0.00 N ATOM 1516 NH2 ARG A 94 2.312 11.341 5.459 1.00 0.00 N ATOM 0 H ARG A 94 2.927 8.833 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 94 3.213 8.886 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.957 8.865 1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.337 7.223 0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.173 6.731 2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.750 6.938 3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.255 9.207 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.180 8.175 4.761 1.00 0.00 H new ATOM 0 HE ARG A 94 2.425 9.041 4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.714 10.667 4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.063 12.135 5.334 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.246 10.930 5.467 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.166 12.282 5.824 1.00 0.00 H new ATOM 1530 N LEU A 95 5.036 7.065 1.337 1.00 0.00 N ATOM 1531 CA LEU A 95 5.917 5.902 1.330 1.00 0.00 C ATOM 1532 C LEU A 95 7.009 6.047 2.384 1.00 0.00 C ATOM 1533 O LEU A 95 8.129 5.568 2.202 1.00 0.00 O ATOM 1534 CB LEU A 95 6.543 5.717 -0.052 1.00 0.00 C ATOM 1535 CG LEU A 95 5.701 4.910 -1.042 1.00 0.00 C ATOM 1536 CD1 LEU A 95 6.012 5.326 -2.471 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.942 3.420 -0.855 1.00 0.00 C ATOM 0 H LEU A 95 5.433 7.897 0.900 1.00 0.00 H new ATOM 0 HA LEU A 95 5.321 5.021 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.737 6.700 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.508 5.225 0.066 1.00 0.00 H new ATOM 0 HG LEU A 95 4.649 5.116 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.404 4.741 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.788 6.385 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.067 5.150 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.335 2.861 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.996 3.198 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.668 3.132 0.160 1.00 0.00 H new ATOM 1549 N THR A 96 6.671 6.705 3.487 1.00 0.00 N ATOM 1550 CA THR A 96 7.617 6.910 4.578 1.00 0.00 C ATOM 1551 C THR A 96 7.143 6.191 5.833 1.00 0.00 C ATOM 1552 O THR A 96 7.937 5.591 6.558 1.00 0.00 O ATOM 1553 CB THR A 96 7.788 8.403 4.859 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.640 8.926 5.506 1.00 0.00 O ATOM 1555 CG2 THR A 96 8.026 9.224 3.611 1.00 0.00 C ATOM 0 H THR A 96 5.747 7.106 3.650 1.00 0.00 H new ATOM 0 HA THR A 96 8.581 6.497 4.282 1.00 0.00 H new ATOM 0 HB THR A 96 8.669 8.478 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.669 8.698 6.459 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.139 10.274 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.933 8.878 3.115 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.178 9.113 2.935 1.00 0.00 H new ATOM 1563 N ASN A 97 5.838 6.250 6.078 1.00 0.00 N ATOM 1564 CA ASN A 97 5.245 5.599 7.239 1.00 0.00 C ATOM 1565 C ASN A 97 4.241 4.534 6.804 1.00 0.00 C ATOM 1566 O ASN A 97 3.344 4.167 7.563 1.00 0.00 O ATOM 1567 CB ASN A 97 4.557 6.632 8.133 1.00 0.00 C ATOM 1568 CG ASN A 97 5.547 7.539 8.835 1.00 0.00 C ATOM 1569 OD1 ASN A 97 5.967 8.599 8.152 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 5.932 7.293 9.978 1.00 0.00 N flip ATOM 0 H ASN A 97 5.170 6.744 5.486 1.00 0.00 H new ATOM 0 HA ASN A 97 6.042 5.116 7.805 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.879 7.236 7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.949 6.117 8.877 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.584 6.468 10.467 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.599 7.914 10.436 1.00 0.00 H new ATOM 1577 N THR A 98 4.396 4.045 5.575 1.00 0.00 N ATOM 1578 CA THR A 98 3.500 3.026 5.039 1.00 0.00 C ATOM 1579 C THR A 98 3.370 1.817 5.975 1.00 0.00 C ATOM 1580 O THR A 98 2.261 1.327 6.192 1.00 0.00 O ATOM 1581 CB THR A 98 3.953 2.572 3.645 1.00 0.00 C ATOM 1582 OG1 THR A 98 3.287 1.381 3.268 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.441 2.315 3.529 1.00 0.00 C ATOM 0 H THR A 98 5.133 4.338 4.934 1.00 0.00 H new ATOM 0 HA THR A 98 2.515 3.486 4.957 1.00 0.00 H new ATOM 0 HB THR A 98 3.701 3.404 2.987 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.774 0.952 2.533 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.677 1.998 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.987 3.229 3.760 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.731 1.532 4.230 1.00 0.00 H new ATOM 1591 N PRO A 99 4.484 1.307 6.552 1.00 0.00 N ATOM 1592 CA PRO A 99 4.443 0.154 7.457 1.00 0.00 C ATOM 1593 C PRO A 99 3.303 0.243 8.466 1.00 0.00 C ATOM 1594 O PRO A 99 2.774 -0.776 8.910 1.00 0.00 O ATOM 1595 CB PRO A 99 5.804 0.195 8.175 1.00 0.00 C ATOM 1596 CG PRO A 99 6.483 1.442 7.704 1.00 0.00 C ATOM 1597 CD PRO A 99 5.861 1.787 6.383 1.00 0.00 C ATOM 0 HA PRO A 99 4.268 -0.774 6.913 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.674 0.207 9.257 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.398 -0.687 7.935 1.00 0.00 H new ATOM 0 HG2 PRO A 99 6.348 2.252 8.421 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.556 1.284 7.599 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.897 2.858 6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.366 1.291 5.554 1.00 0.00 H new ATOM 1605 N ALA A 100 2.923 1.467 8.819 1.00 0.00 N ATOM 1606 CA ALA A 100 1.839 1.680 9.770 1.00 0.00 C ATOM 1607 C ALA A 100 0.507 1.232 9.182 1.00 0.00 C ATOM 1608 O ALA A 100 -0.209 0.430 9.781 1.00 0.00 O ATOM 1609 CB ALA A 100 1.774 3.144 10.180 1.00 0.00 C ATOM 0 H ALA A 100 3.348 2.323 8.462 1.00 0.00 H new ATOM 0 HA ALA A 100 2.039 1.078 10.657 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.960 3.287 10.890 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.716 3.434 10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.599 3.761 9.299 1.00 0.00 H new ATOM 1615 N VAL A 101 0.184 1.750 8.002 1.00 0.00 N ATOM 1616 CA VAL A 101 -1.059 1.396 7.329 1.00 0.00 C ATOM 1617 C VAL A 101 -1.088 -0.091 6.991 1.00 0.00 C ATOM 1618 O VAL A 101 -2.156 -0.694 6.887 1.00 0.00 O ATOM 1619 CB VAL A 101 -1.250 2.209 6.034 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -2.654 2.014 5.483 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -0.965 3.683 6.279 1.00 0.00 C ATOM 0 H VAL A 101 0.765 2.416 7.493 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.872 1.630 8.016 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.539 1.845 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.770 2.596 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.816 0.958 5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.384 2.348 6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.105 4.240 5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.648 4.064 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.063 3.803 6.622 1.00 0.00 H new ATOM 1631 N ILE A 102 0.095 -0.675 6.821 1.00 0.00 N ATOM 1632 CA ILE A 102 0.211 -2.089 6.494 1.00 0.00 C ATOM 1633 C ILE A 102 -0.114 -2.961 7.704 1.00 0.00 C ATOM 1634 O ILE A 102 -0.803 -3.975 7.583 1.00 0.00 O ATOM 1635 CB ILE A 102 1.628 -2.433 5.993 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.029 -1.495 4.853 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.698 -3.885 5.546 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.525 -1.402 4.643 1.00 0.00 C ATOM 0 H ILE A 102 0.987 -0.188 6.905 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.508 -2.292 5.700 1.00 0.00 H new ATOM 0 HB ILE A 102 2.331 -2.297 6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.562 -1.838 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.637 -0.499 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.705 -4.110 5.196 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.452 -4.536 6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.987 -4.051 4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.735 -0.720 3.819 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.998 -1.030 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.921 -2.389 4.406 1.00 0.00 H new ATOM 1650 N SER A 103 0.387 -2.562 8.869 1.00 0.00 N ATOM 1651 CA SER A 103 0.150 -3.312 10.098 1.00 0.00 C ATOM 1652 C SER A 103 -1.318 -3.243 10.503 1.00 0.00 C ATOM 1653 O SER A 103 -1.928 -4.260 10.834 1.00 0.00 O ATOM 1654 CB SER A 103 1.031 -2.775 11.227 1.00 0.00 C ATOM 1655 OG SER A 103 1.192 -3.741 12.251 1.00 0.00 O ATOM 0 H SER A 103 0.958 -1.725 8.988 1.00 0.00 H new ATOM 0 HA SER A 103 0.407 -4.355 9.913 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.007 -2.495 10.830 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.585 -1.871 11.642 1.00 0.00 H new ATOM 0 HG SER A 103 1.760 -3.374 12.960 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.881 -2.040 10.473 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.280 -1.843 10.836 1.00 0.00 C ATOM 1663 C ALA A 104 -4.189 -2.752 10.015 1.00 0.00 C ATOM 1664 O ALA A 104 -5.253 -3.165 10.477 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.674 -0.386 10.646 1.00 0.00 C ATOM 0 H ALA A 104 -1.391 -1.188 10.201 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.400 -2.104 11.887 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.720 -0.253 10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.050 0.245 11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.534 -0.104 9.602 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.760 -3.063 8.797 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.531 -3.926 7.910 1.00 0.00 C ATOM 1673 C PHE A 105 -4.721 -5.306 8.526 1.00 0.00 C ATOM 1674 O PHE A 105 -5.842 -5.809 8.608 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.833 -4.057 6.556 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.720 -4.605 5.475 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -5.210 -5.900 5.545 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -5.064 -3.822 4.386 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -6.025 -6.401 4.551 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.879 -4.319 3.390 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.360 -5.610 3.473 1.00 0.00 C ATOM 0 H PHE A 105 -2.881 -2.730 8.401 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.511 -3.471 7.765 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.464 -3.078 6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.964 -4.706 6.665 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.951 -6.524 6.388 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.690 -2.811 4.316 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.400 -7.412 4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.140 -3.698 2.546 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.998 -6.000 2.694 1.00 0.00 H new ATOM 1691 N SER A 106 -3.620 -5.918 8.950 1.00 0.00 N ATOM 1692 CA SER A 106 -3.671 -7.244 9.552 1.00 0.00 C ATOM 1693 C SER A 106 -4.576 -7.252 10.778 1.00 0.00 C ATOM 1694 O SER A 106 -5.256 -8.241 11.052 1.00 0.00 O ATOM 1695 CB SER A 106 -2.265 -7.710 9.935 1.00 0.00 C ATOM 1696 OG SER A 106 -1.664 -8.438 8.880 1.00 0.00 O ATOM 0 H SER A 106 -2.684 -5.517 8.888 1.00 0.00 H new ATOM 0 HA SER A 106 -4.084 -7.933 8.815 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.647 -6.847 10.183 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.316 -8.333 10.828 1.00 0.00 H new ATOM 0 HG SER A 106 -0.766 -8.723 9.149 1.00 0.00 H new ATOM 1702 N THR A 107 -4.584 -6.145 11.511 1.00 0.00 N ATOM 1703 CA THR A 107 -5.412 -6.032 12.704 1.00 0.00 C ATOM 1704 C THR A 107 -6.861 -5.765 12.324 1.00 0.00 C ATOM 1705 O THR A 107 -7.780 -6.338 12.910 1.00 0.00 O ATOM 1706 CB THR A 107 -4.891 -4.920 13.617 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.539 -5.154 13.969 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.682 -4.779 14.899 1.00 0.00 C ATOM 0 H THR A 107 -4.028 -5.316 11.301 1.00 0.00 H new ATOM 0 HA THR A 107 -5.362 -6.977 13.245 1.00 0.00 H new ATOM 0 HB THR A 107 -4.996 -4.000 13.042 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.223 -4.432 14.551 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.260 -3.973 15.500 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.721 -4.549 14.662 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.636 -5.713 15.460 1.00 0.00 H new ATOM 1716 N MET A 108 -7.064 -4.905 11.333 1.00 0.00 N ATOM 1717 CA MET A 108 -8.407 -4.590 10.875 1.00 0.00 C ATOM 1718 C MET A 108 -8.989 -5.776 10.118 1.00 0.00 C ATOM 1719 O MET A 108 -10.205 -5.953 10.057 1.00 0.00 O ATOM 1720 CB MET A 108 -8.391 -3.346 9.989 1.00 0.00 C ATOM 1721 CG MET A 108 -8.009 -2.078 10.735 1.00 0.00 C ATOM 1722 SD MET A 108 -7.008 -0.956 9.741 1.00 0.00 S ATOM 1723 CE MET A 108 -7.141 0.552 10.698 1.00 0.00 C ATOM 0 H MET A 108 -6.319 -4.417 10.835 1.00 0.00 H new ATOM 0 HA MET A 108 -9.035 -4.384 11.742 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.689 -3.502 9.169 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.377 -3.214 9.544 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.915 -1.563 11.054 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.459 -2.345 11.638 1.00 0.00 H new ATOM 0 HE1 MET A 108 -7.733 1.282 10.146 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.626 0.337 11.650 1.00 0.00 H new ATOM 0 HE3 MET A 108 -6.145 0.956 10.881 1.00 0.00 H new ATOM 1733 N MET A 109 -8.106 -6.597 9.556 1.00 0.00 N ATOM 1734 CA MET A 109 -8.525 -7.778 8.822 1.00 0.00 C ATOM 1735 C MET A 109 -9.159 -8.785 9.774 1.00 0.00 C ATOM 1736 O MET A 109 -10.255 -9.274 9.529 1.00 0.00 O ATOM 1737 CB MET A 109 -7.325 -8.408 8.103 1.00 0.00 C ATOM 1738 CG MET A 109 -7.605 -9.791 7.529 1.00 0.00 C ATOM 1739 SD MET A 109 -6.911 -11.115 8.538 1.00 0.00 S ATOM 1740 CE MET A 109 -8.399 -11.976 9.040 1.00 0.00 C ATOM 0 H MET A 109 -7.096 -6.462 9.597 1.00 0.00 H new ATOM 0 HA MET A 109 -9.264 -7.487 8.075 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.010 -7.747 7.295 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.491 -8.477 8.801 1.00 0.00 H new ATOM 0 HG2 MET A 109 -8.682 -9.933 7.442 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.193 -9.853 6.522 1.00 0.00 H new ATOM 0 HE1 MET A 109 -8.231 -12.463 10.000 1.00 0.00 H new ATOM 0 HE2 MET A 109 -9.218 -11.263 9.133 1.00 0.00 H new ATOM 0 HE3 MET A 109 -8.655 -12.727 8.292 1.00 0.00 H new ATOM 1750 N SER A 110 -8.469 -9.082 10.872 1.00 0.00 N ATOM 1751 CA SER A 110 -8.986 -10.029 11.856 1.00 0.00 C ATOM 1752 C SER A 110 -10.404 -9.659 12.282 1.00 0.00 C ATOM 1753 O SER A 110 -11.171 -10.516 12.721 1.00 0.00 O ATOM 1754 CB SER A 110 -8.069 -10.081 13.079 1.00 0.00 C ATOM 1755 OG SER A 110 -7.072 -11.076 12.927 1.00 0.00 O ATOM 0 H SER A 110 -7.558 -8.685 11.102 1.00 0.00 H new ATOM 0 HA SER A 110 -9.014 -11.014 11.391 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.598 -9.109 13.226 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.660 -10.287 13.972 1.00 0.00 H new ATOM 0 HG SER A 110 -6.498 -11.088 13.721 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.748 -8.383 12.148 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.075 -7.911 12.518 1.00 0.00 C ATOM 1763 C VAL A 111 -13.098 -8.204 11.422 1.00 0.00 C ATOM 1764 O VAL A 111 -14.304 -8.145 11.661 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.073 -6.399 12.810 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -13.411 -5.965 13.389 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -10.934 -6.040 13.753 1.00 0.00 C ATOM 0 H VAL A 111 -10.127 -7.659 11.787 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.356 -8.450 13.423 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.920 -5.866 11.872 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -13.391 -4.894 13.589 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.205 -6.186 12.676 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -13.597 -6.504 14.318 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.948 -4.968 13.948 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -11.054 -6.581 14.691 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.983 -6.313 13.296 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.619 -8.516 10.218 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.497 -8.808 9.105 1.00 0.00 C ATOM 1779 C HIS A 112 -13.970 -10.257 9.147 1.00 0.00 C ATOM 1780 O HIS A 112 -15.039 -10.586 8.631 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.766 -8.516 7.798 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.094 -9.705 7.188 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.285 -10.576 7.886 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -12.124 -10.158 5.928 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -10.845 -11.515 7.068 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -11.342 -11.283 5.870 1.00 0.00 N ATOM 0 H HIS A 112 -11.625 -8.571 9.997 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.380 -8.173 9.173 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.478 -8.108 7.081 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.018 -7.744 7.979 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -11.061 -10.506 8.879 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.667 -9.716 5.105 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -10.191 -12.332 7.335 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.166 -11.123 9.757 1.00 0.00 N ATOM 1796 CA ARG A 113 -13.507 -12.535 9.853 1.00 0.00 C ATOM 1797 C ARG A 113 -14.614 -12.756 10.878 1.00 0.00 C ATOM 1798 O ARG A 113 -15.434 -13.663 10.735 1.00 0.00 O ATOM 1799 CB ARG A 113 -12.272 -13.356 10.230 1.00 0.00 C ATOM 1800 CG ARG A 113 -12.449 -14.851 10.021 1.00 0.00 C ATOM 1801 CD ARG A 113 -11.889 -15.295 8.681 1.00 0.00 C ATOM 1802 NE ARG A 113 -12.485 -16.550 8.227 1.00 0.00 N ATOM 1803 CZ ARG A 113 -12.229 -17.734 8.778 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -11.389 -17.831 9.802 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -12.814 -18.825 8.304 1.00 0.00 N ATOM 0 H ARG A 113 -12.278 -10.871 10.190 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.867 -12.865 8.879 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.423 -13.013 9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.028 -13.170 11.276 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.949 -15.393 10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.508 -15.105 10.076 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.069 -14.518 7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.809 -15.415 8.761 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.135 -16.516 7.442 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.936 -16.995 10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -11.197 -18.742 10.220 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.460 -18.757 7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.618 -19.733 8.726 1.00 0.00 H new