USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=29 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 23 TYR OH : rot 49:sc= -0.624! USER MOD Set 1.2: A 112 HIS : no HD1:sc= -15.3! C(o=-16!,f=-17!) USER MOD Set 2.1: A 96 THR OG1 : rot 180:sc= -0.0469 USER MOD Set 2.2: A 97 ASN : amide:sc= 0 X(o=-0.047,f=0.14) USER MOD Set 3.1: A 65 LYS NZ :NH3+ 157:sc= -2.62 (180deg=-3.7!) USER MOD Set 3.2: A 68 SER OG : rot 124:sc= 0 USER MOD Single : A 12 TYR OH : rot 151:sc= -0.309 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 172:sc= -1.9 USER MOD Single : A 24 SER OG : rot 170:sc= -0.179 USER MOD Single : A 27 SER OG : rot -87:sc= 1.02 USER MOD Single : A 28 LYS NZ :NH3+ -131:sc= -0.0146 (180deg=-0.0707) USER MOD Single : A 29 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.6!) USER MOD Single : A 30 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.7!) USER MOD Single : A 31 LYS NZ :NH3+ 153:sc=-0.00925 (180deg=-0.368) USER MOD Single : A 34 GLN : amide:sc= -3.41 K(o=-3.4,f=-4.9!) USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.303) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -147:sc= -0.413 (180deg=-1.45!) USER MOD Single : A 51 MET CE :methyl -154:sc= -10.3! (180deg=-14.4!) USER MOD Single : A 54 SER OG : rot 117:sc= 0.0166 USER MOD Single : A 57 ASN : amide:sc= -1.65 X(o=-1.7,f=-2) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -36:sc= 1.09 USER MOD Single : A 72 MET CE :methyl 157:sc= -5.03! (180deg=-5.25!) USER MOD Single : A 73 THR OG1 : rot 57:sc= -4.68! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 58:sc= 0.983 USER MOD Single : A 82 THR OG1 : rot -70:sc= -2.52! USER MOD Single : A 83 SER OG : rot -146:sc= 1.03 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -2.44 K(o=-2.4,f=-3.2!) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 98 THR OG1 : rot 85:sc= -0.112 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 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 169:sc= 0 (180deg=-0.0718) USER MOD Single : A 110 SER OG : rot 34:sc= 0.02 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -1.921 4.210 15.519 1.00 0.00 N ATOM 194 CA TYR A 12 -1.956 5.605 15.072 1.00 0.00 C ATOM 195 C TYR A 12 -3.370 6.027 14.681 1.00 0.00 C ATOM 196 O TYR A 12 -3.901 7.008 15.203 1.00 0.00 O ATOM 197 CB TYR A 12 -0.979 5.824 13.900 1.00 0.00 C ATOM 198 CG TYR A 12 -0.077 4.635 13.626 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.587 3.992 14.663 1.00 0.00 C ATOM 200 CD2 TYR A 12 0.081 4.138 12.342 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.383 2.894 14.429 1.00 0.00 C ATOM 202 CE2 TYR A 12 0.878 3.036 12.097 1.00 0.00 C ATOM 203 CZ TYR A 12 1.527 2.417 13.144 1.00 0.00 C ATOM 204 OH TYR A 12 2.321 1.319 12.906 1.00 0.00 O ATOM 0 HA TYR A 12 -1.641 6.231 15.907 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.551 6.050 13.000 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.361 6.696 14.112 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.476 4.361 15.672 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.427 4.620 11.520 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.892 2.408 15.248 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.992 2.662 11.090 1.00 0.00 H new ATOM 0 HH TYR A 12 1.985 0.836 12.122 1.00 0.00 H new ATOM 214 N GLY A 13 -3.977 5.279 13.769 1.00 0.00 N ATOM 215 CA GLY A 13 -5.326 5.587 13.335 1.00 0.00 C ATOM 216 C GLY A 13 -5.380 6.160 11.932 1.00 0.00 C ATOM 217 O GLY A 13 -5.940 5.544 11.026 1.00 0.00 O ATOM 0 H GLY A 13 -3.559 4.463 13.321 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.931 4.681 13.375 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.772 6.299 14.030 1.00 0.00 H new ATOM 221 N ILE A 14 -4.805 7.344 11.751 1.00 0.00 N ATOM 222 CA ILE A 14 -4.801 7.995 10.447 1.00 0.00 C ATOM 223 C ILE A 14 -4.095 7.138 9.404 1.00 0.00 C ATOM 224 O ILE A 14 -4.610 6.932 8.306 1.00 0.00 O ATOM 225 CB ILE A 14 -4.133 9.385 10.507 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.225 10.085 9.148 1.00 0.00 C ATOM 227 CG2 ILE A 14 -2.682 9.262 10.947 1.00 0.00 C ATOM 228 CD1 ILE A 14 -5.635 10.179 8.608 1.00 0.00 C ATOM 0 H ILE A 14 -4.337 7.871 12.489 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.844 8.122 10.156 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.665 9.990 11.242 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.812 11.090 9.238 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.605 9.548 8.430 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.228 10.252 10.983 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.639 8.807 11.936 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.138 8.639 10.237 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.622 10.686 7.643 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.045 9.177 8.485 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.255 10.742 9.306 1.00 0.00 H new ATOM 240 N GLU A 15 -2.917 6.633 9.752 1.00 0.00 N ATOM 241 CA GLU A 15 -2.156 5.792 8.839 1.00 0.00 C ATOM 242 C GLU A 15 -2.794 4.413 8.734 1.00 0.00 C ATOM 243 O GLU A 15 -2.724 3.763 7.690 1.00 0.00 O ATOM 244 CB GLU A 15 -0.702 5.674 9.304 1.00 0.00 C ATOM 245 CG GLU A 15 0.293 6.313 8.349 1.00 0.00 C ATOM 246 CD GLU A 15 1.412 7.036 9.071 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.952 6.471 10.046 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.751 8.166 8.662 1.00 0.00 O ATOM 0 H GLU A 15 -2.471 6.791 10.656 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.165 6.255 7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.603 6.140 10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.452 4.620 9.425 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.719 5.543 7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.231 7.016 7.702 1.00 0.00 H new ATOM 255 N GLY A 16 -3.428 3.976 9.817 1.00 0.00 N ATOM 256 CA GLY A 16 -4.083 2.684 9.818 1.00 0.00 C ATOM 257 C GLY A 16 -5.403 2.720 9.078 1.00 0.00 C ATOM 258 O GLY A 16 -5.847 1.709 8.535 1.00 0.00 O ATOM 0 H GLY A 16 -3.499 4.494 10.693 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.428 1.945 9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.252 2.363 10.846 1.00 0.00 H new ATOM 262 N ARG A 17 -6.029 3.894 9.050 1.00 0.00 N ATOM 263 CA ARG A 17 -7.303 4.062 8.363 1.00 0.00 C ATOM 264 C ARG A 17 -7.104 4.039 6.853 1.00 0.00 C ATOM 265 O ARG A 17 -8.008 3.669 6.106 1.00 0.00 O ATOM 266 CB ARG A 17 -7.968 5.374 8.785 1.00 0.00 C ATOM 267 CG ARG A 17 -9.384 5.534 8.258 1.00 0.00 C ATOM 268 CD ARG A 17 -9.866 6.971 8.383 1.00 0.00 C ATOM 269 NE ARG A 17 -10.213 7.313 9.761 1.00 0.00 N ATOM 270 CZ ARG A 17 -10.916 8.391 10.101 1.00 0.00 C ATOM 271 NH1 ARG A 17 -11.351 9.231 9.170 1.00 0.00 N ATOM 272 NH2 ARG A 17 -11.188 8.629 11.377 1.00 0.00 N ATOM 0 H ARG A 17 -5.674 4.741 9.495 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.954 3.233 8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.986 5.429 9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.362 6.209 8.433 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.421 5.226 7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.055 4.875 8.809 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.089 7.647 8.026 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.735 7.119 7.743 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.898 6.690 10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.147 9.052 8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.889 10.055 9.438 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.859 7.986 12.097 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.727 9.455 11.638 1.00 0.00 H new ATOM 286 N TYR A 18 -5.910 4.425 6.406 1.00 0.00 N ATOM 287 CA TYR A 18 -5.596 4.433 4.983 1.00 0.00 C ATOM 288 C TYR A 18 -5.864 3.064 4.376 1.00 0.00 C ATOM 289 O TYR A 18 -6.540 2.945 3.354 1.00 0.00 O ATOM 290 CB TYR A 18 -4.131 4.816 4.766 1.00 0.00 C ATOM 291 CG TYR A 18 -3.934 6.220 4.245 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.286 7.320 5.015 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.391 6.444 2.987 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.104 8.605 4.547 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.204 7.727 2.510 1.00 0.00 C ATOM 296 CZ TYR A 18 -3.563 8.804 3.293 1.00 0.00 C ATOM 297 OH TYR A 18 -3.379 10.084 2.823 1.00 0.00 O ATOM 0 H TYR A 18 -5.148 4.735 7.009 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.233 5.170 4.493 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.595 4.711 5.709 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.682 4.113 4.064 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.709 7.167 5.997 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.110 5.602 2.372 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.383 9.450 5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.779 7.886 1.530 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.988 10.050 1.925 1.00 0.00 H new ATOM 307 N ALA A 19 -5.332 2.036 5.020 1.00 0.00 N ATOM 308 CA ALA A 19 -5.515 0.673 4.554 1.00 0.00 C ATOM 309 C ALA A 19 -6.964 0.244 4.718 1.00 0.00 C ATOM 310 O ALA A 19 -7.528 -0.402 3.840 1.00 0.00 O ATOM 311 CB ALA A 19 -4.587 -0.273 5.303 1.00 0.00 C ATOM 0 H ALA A 19 -4.770 2.122 5.867 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.265 0.633 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.736 -1.291 4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.552 0.024 5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.807 -0.230 6.370 1.00 0.00 H new ATOM 317 N THR A 20 -7.566 0.610 5.842 1.00 0.00 N ATOM 318 CA THR A 20 -8.952 0.257 6.098 1.00 0.00 C ATOM 319 C THR A 20 -9.886 1.013 5.164 1.00 0.00 C ATOM 320 O THR A 20 -10.994 0.558 4.887 1.00 0.00 O ATOM 321 CB THR A 20 -9.326 0.518 7.556 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.228 1.055 8.273 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.777 -0.735 8.273 1.00 0.00 C ATOM 0 H THR A 20 -7.119 1.147 6.585 1.00 0.00 H new ATOM 0 HA THR A 20 -9.064 -0.810 5.905 1.00 0.00 H new ATOM 0 HB THR A 20 -10.152 1.228 7.527 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.524 1.333 9.165 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.031 -0.492 9.305 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.653 -1.146 7.771 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.973 -1.471 8.260 1.00 0.00 H new ATOM 331 N ALA A 21 -9.433 2.157 4.664 1.00 0.00 N ATOM 332 CA ALA A 21 -10.245 2.941 3.748 1.00 0.00 C ATOM 333 C ALA A 21 -9.980 2.536 2.303 1.00 0.00 C ATOM 334 O ALA A 21 -10.550 3.105 1.372 1.00 0.00 O ATOM 335 CB ALA A 21 -10.001 4.429 3.947 1.00 0.00 C ATOM 0 H ALA A 21 -8.519 2.557 4.876 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.293 2.738 3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.619 4.995 3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.258 4.706 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.950 4.653 3.764 1.00 0.00 H new ATOM 341 N LEU A 22 -9.135 1.526 2.126 1.00 0.00 N ATOM 342 CA LEU A 22 -8.821 1.017 0.800 1.00 0.00 C ATOM 343 C LEU A 22 -9.193 -0.443 0.747 1.00 0.00 C ATOM 344 O LEU A 22 -9.747 -0.928 -0.238 1.00 0.00 O ATOM 345 CB LEU A 22 -7.339 1.214 0.471 1.00 0.00 C ATOM 346 CG LEU A 22 -6.903 0.710 -0.908 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.722 -0.799 -0.890 1.00 0.00 C ATOM 348 CD2 LEU A 22 -7.910 1.117 -1.975 1.00 0.00 C ATOM 0 H LEU A 22 -8.656 1.044 2.887 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.391 1.570 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.106 2.276 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.744 0.706 1.230 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.945 1.169 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.412 -1.140 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.959 -1.065 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.665 -1.275 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.580 0.748 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.885 0.691 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.987 2.204 -2.007 1.00 0.00 H new ATOM 360 N TYR A 23 -8.922 -1.129 1.842 1.00 0.00 N ATOM 361 CA TYR A 23 -9.264 -2.518 1.956 1.00 0.00 C ATOM 362 C TYR A 23 -10.748 -2.639 2.306 1.00 0.00 C ATOM 363 O TYR A 23 -11.352 -3.683 2.088 1.00 0.00 O ATOM 364 CB TYR A 23 -8.374 -3.201 3.003 1.00 0.00 C ATOM 365 CG TYR A 23 -9.122 -3.777 4.179 1.00 0.00 C ATOM 366 CD1 TYR A 23 -9.938 -4.880 4.016 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.026 -3.209 5.439 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.638 -5.415 5.073 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.722 -3.728 6.504 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.528 -4.835 6.322 1.00 0.00 C ATOM 371 OH TYR A 23 -11.224 -5.356 7.386 1.00 0.00 O ATOM 0 H TYR A 23 -8.463 -0.736 2.664 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.091 -3.025 1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.813 -4.000 2.519 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.646 -2.478 3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.028 -5.331 3.039 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.395 -2.345 5.586 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.268 -6.280 4.928 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.639 -3.272 7.480 1.00 0.00 H new ATOM 0 HH TYR A 23 -11.082 -6.325 7.427 1.00 0.00 H new ATOM 381 N SER A 24 -11.343 -1.552 2.830 1.00 0.00 N ATOM 382 CA SER A 24 -12.764 -1.568 3.172 1.00 0.00 C ATOM 383 C SER A 24 -13.558 -2.123 1.999 1.00 0.00 C ATOM 384 O SER A 24 -14.441 -2.964 2.169 1.00 0.00 O ATOM 385 CB SER A 24 -13.256 -0.165 3.527 1.00 0.00 C ATOM 386 OG SER A 24 -12.562 0.823 2.784 1.00 0.00 O ATOM 0 H SER A 24 -10.867 -0.670 3.021 1.00 0.00 H new ATOM 0 HA SER A 24 -12.909 -2.205 4.045 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.325 -0.090 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.117 0.013 4.593 1.00 0.00 H new ATOM 0 HG SER A 24 -12.999 1.692 2.906 1.00 0.00 H new ATOM 392 N ALA A 25 -13.200 -1.674 0.800 1.00 0.00 N ATOM 393 CA ALA A 25 -13.838 -2.154 -0.411 1.00 0.00 C ATOM 394 C ALA A 25 -13.385 -3.579 -0.669 1.00 0.00 C ATOM 395 O ALA A 25 -14.160 -4.427 -1.113 1.00 0.00 O ATOM 396 CB ALA A 25 -13.498 -1.257 -1.591 1.00 0.00 C ATOM 0 H ALA A 25 -12.470 -0.978 0.646 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.921 -2.133 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.987 -1.636 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.844 -0.243 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.419 -1.248 -1.742 1.00 0.00 H new ATOM 402 N ALA A 26 -12.116 -3.837 -0.361 1.00 0.00 N ATOM 403 CA ALA A 26 -11.545 -5.166 -0.530 1.00 0.00 C ATOM 404 C ALA A 26 -12.218 -6.170 0.400 1.00 0.00 C ATOM 405 O ALA A 26 -12.333 -7.350 0.075 1.00 0.00 O ATOM 406 CB ALA A 26 -10.048 -5.134 -0.267 1.00 0.00 C ATOM 0 H ALA A 26 -11.466 -3.142 0.006 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.718 -5.481 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.634 -6.134 -0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.570 -4.450 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.865 -4.795 0.753 1.00 0.00 H new ATOM 412 N SER A 27 -12.664 -5.689 1.557 1.00 0.00 N ATOM 413 CA SER A 27 -13.329 -6.538 2.538 1.00 0.00 C ATOM 414 C SER A 27 -14.635 -7.081 1.973 1.00 0.00 C ATOM 415 O SER A 27 -14.909 -8.279 2.053 1.00 0.00 O ATOM 416 CB SER A 27 -13.600 -5.752 3.823 1.00 0.00 C ATOM 417 OG SER A 27 -14.842 -5.070 3.756 1.00 0.00 O ATOM 0 H SER A 27 -12.576 -4.712 1.838 1.00 0.00 H new ATOM 0 HA SER A 27 -12.673 -7.377 2.770 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.601 -6.432 4.675 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.797 -5.034 3.989 1.00 0.00 H new ATOM 0 HG SER A 27 -14.713 -4.196 3.333 1.00 0.00 H new ATOM 423 N LYS A 28 -15.436 -6.190 1.391 1.00 0.00 N ATOM 424 CA LYS A 28 -16.712 -6.581 0.801 1.00 0.00 C ATOM 425 C LYS A 28 -16.509 -7.714 -0.197 1.00 0.00 C ATOM 426 O LYS A 28 -17.366 -8.585 -0.351 1.00 0.00 O ATOM 427 CB LYS A 28 -17.368 -5.385 0.109 1.00 0.00 C ATOM 428 CG LYS A 28 -18.855 -5.568 -0.144 1.00 0.00 C ATOM 429 CD LYS A 28 -19.689 -4.920 0.950 1.00 0.00 C ATOM 430 CE LYS A 28 -19.617 -5.710 2.247 1.00 0.00 C ATOM 431 NZ LYS A 28 -18.624 -5.132 3.195 1.00 0.00 N ATOM 0 H LYS A 28 -15.223 -5.195 1.316 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.369 -6.928 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.219 -4.495 0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.866 -5.206 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.117 -5.134 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.088 -6.631 -0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.338 -3.903 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -20.727 -4.848 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.600 -5.727 2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.351 -6.744 2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.004 -5.887 3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.051 -4.417 2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.123 -4.688 3.992 1.00 0.00 H new ATOM 445 N GLN A 29 -15.357 -7.702 -0.860 1.00 0.00 N ATOM 446 CA GLN A 29 -15.024 -8.731 -1.833 1.00 0.00 C ATOM 447 C GLN A 29 -14.353 -9.912 -1.142 1.00 0.00 C ATOM 448 O GLN A 29 -14.605 -11.067 -1.487 1.00 0.00 O ATOM 449 CB GLN A 29 -14.104 -8.164 -2.916 1.00 0.00 C ATOM 450 CG GLN A 29 -14.753 -7.077 -3.758 1.00 0.00 C ATOM 451 CD GLN A 29 -13.819 -5.915 -4.031 1.00 0.00 C ATOM 452 OE1 GLN A 29 -14.049 -4.797 -3.573 1.00 0.00 O ATOM 453 NE2 GLN A 29 -12.755 -6.176 -4.783 1.00 0.00 N ATOM 0 H GLN A 29 -14.638 -6.988 -0.739 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.946 -9.075 -2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.208 -7.760 -2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.783 -8.975 -3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.082 -7.504 -4.705 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.644 -6.710 -3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.603 -7.118 -5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.090 -5.434 -5.001 1.00 0.00 H new ATOM 462 N ASN A 30 -13.493 -9.604 -0.165 1.00 0.00 N ATOM 463 CA ASN A 30 -12.762 -10.620 0.596 1.00 0.00 C ATOM 464 C ASN A 30 -11.401 -10.862 -0.031 1.00 0.00 C ATOM 465 O ASN A 30 -10.871 -11.972 0.008 1.00 0.00 O ATOM 466 CB ASN A 30 -13.545 -11.936 0.684 1.00 0.00 C ATOM 467 CG ASN A 30 -13.162 -12.755 1.900 1.00 0.00 C ATOM 468 OD1 ASN A 30 -12.762 -12.211 2.930 1.00 0.00 O ATOM 469 ND2 ASN A 30 -13.284 -14.073 1.788 1.00 0.00 N ATOM 0 H ASN A 30 -13.285 -8.647 0.119 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.631 -10.245 1.611 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.613 -11.719 0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.367 -12.523 -0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.042 -14.676 2.574 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.620 -14.482 0.916 1.00 0.00 H new ATOM 476 N LYS A 31 -10.842 -9.807 -0.610 1.00 0.00 N ATOM 477 CA LYS A 31 -9.541 -9.891 -1.250 1.00 0.00 C ATOM 478 C LYS A 31 -8.424 -9.537 -0.273 1.00 0.00 C ATOM 479 O LYS A 31 -7.287 -9.322 -0.685 1.00 0.00 O ATOM 480 CB LYS A 31 -9.486 -8.965 -2.466 1.00 0.00 C ATOM 481 CG LYS A 31 -9.857 -9.655 -3.770 1.00 0.00 C ATOM 482 CD LYS A 31 -11.329 -9.468 -4.100 1.00 0.00 C ATOM 483 CE LYS A 31 -11.926 -10.724 -4.713 1.00 0.00 C ATOM 484 NZ LYS A 31 -12.954 -10.406 -5.741 1.00 0.00 N ATOM 0 H LYS A 31 -11.272 -8.883 -0.648 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.394 -10.920 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.161 -8.125 -2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.480 -8.554 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.248 -9.255 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.632 -10.719 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.876 -9.209 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.445 -8.634 -4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.133 -11.319 -5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.374 -11.333 -3.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.006 -11.182 -6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.880 -10.289 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.696 -9.524 -6.229 1.00 0.00 H new ATOM 498 N LEU A 32 -8.745 -9.482 1.024 1.00 0.00 N ATOM 499 CA LEU A 32 -7.755 -9.163 2.044 1.00 0.00 C ATOM 500 C LEU A 32 -6.465 -9.944 1.820 1.00 0.00 C ATOM 501 O LEU A 32 -5.383 -9.486 2.180 1.00 0.00 O ATOM 502 CB LEU A 32 -8.339 -9.464 3.419 1.00 0.00 C ATOM 503 CG LEU A 32 -9.262 -8.375 3.967 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.460 -7.390 4.804 1.00 0.00 C ATOM 505 CD2 LEU A 32 -9.993 -7.657 2.838 1.00 0.00 C ATOM 0 H LEU A 32 -9.683 -9.655 1.386 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.508 -8.103 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.894 -10.401 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.520 -9.617 4.122 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.014 -8.844 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.124 -6.617 5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.992 -7.916 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.689 -6.930 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.642 -6.888 3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.266 -7.195 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.594 -8.375 2.279 1.00 0.00 H new ATOM 517 N GLU A 33 -6.584 -11.114 1.203 1.00 0.00 N ATOM 518 CA GLU A 33 -5.418 -11.939 0.911 1.00 0.00 C ATOM 519 C GLU A 33 -4.635 -11.342 -0.254 1.00 0.00 C ATOM 520 O GLU A 33 -3.406 -11.413 -0.296 1.00 0.00 O ATOM 521 CB GLU A 33 -5.844 -13.372 0.583 1.00 0.00 C ATOM 522 CG GLU A 33 -5.935 -14.274 1.803 1.00 0.00 C ATOM 523 CD GLU A 33 -5.452 -15.684 1.522 1.00 0.00 C ATOM 524 OE1 GLU A 33 -5.934 -16.293 0.544 1.00 0.00 O ATOM 525 OE2 GLU A 33 -4.593 -16.178 2.281 1.00 0.00 O ATOM 0 H GLU A 33 -7.472 -11.511 0.896 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.778 -11.963 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.813 -13.349 0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.133 -13.801 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.344 -13.846 2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.968 -14.310 2.148 1.00 0.00 H new ATOM 532 N GLN A 34 -5.362 -10.741 -1.191 1.00 0.00 N ATOM 533 CA GLN A 34 -4.756 -10.108 -2.357 1.00 0.00 C ATOM 534 C GLN A 34 -4.371 -8.660 -2.056 1.00 0.00 C ATOM 535 O GLN A 34 -3.687 -8.016 -2.849 1.00 0.00 O ATOM 536 CB GLN A 34 -5.717 -10.160 -3.548 1.00 0.00 C ATOM 537 CG GLN A 34 -5.274 -11.114 -4.645 1.00 0.00 C ATOM 538 CD GLN A 34 -4.676 -10.394 -5.838 1.00 0.00 C ATOM 539 OE1 GLN A 34 -5.044 -10.656 -6.983 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.749 -9.480 -5.575 1.00 0.00 N ATOM 0 H GLN A 34 -6.380 -10.679 -1.164 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.849 -10.658 -2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.704 -10.458 -3.195 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.818 -9.159 -3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.540 -11.811 -4.241 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.128 -11.706 -4.973 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.474 -9.295 -4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.312 -8.963 -6.338 1.00 0.00 H new ATOM 549 N VAL A 35 -4.812 -8.155 -0.905 1.00 0.00 N ATOM 550 CA VAL A 35 -4.508 -6.785 -0.502 1.00 0.00 C ATOM 551 C VAL A 35 -3.507 -6.775 0.651 1.00 0.00 C ATOM 552 O VAL A 35 -2.694 -5.859 0.772 1.00 0.00 O ATOM 553 CB VAL A 35 -5.773 -6.010 -0.059 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.680 -4.556 -0.492 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.051 -6.653 -0.596 1.00 0.00 C ATOM 0 H VAL A 35 -5.381 -8.674 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.085 -6.292 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.822 -6.052 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.576 -4.024 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.803 -4.096 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.594 -4.504 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.915 -6.079 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.022 -6.665 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.129 -7.674 -0.224 1.00 0.00 H new ATOM 565 N GLU A 36 -3.572 -7.805 1.489 1.00 0.00 N ATOM 566 CA GLU A 36 -2.670 -7.924 2.629 1.00 0.00 C ATOM 567 C GLU A 36 -1.282 -8.310 2.151 1.00 0.00 C ATOM 568 O GLU A 36 -0.290 -7.675 2.506 1.00 0.00 O ATOM 569 CB GLU A 36 -3.189 -8.963 3.625 1.00 0.00 C ATOM 570 CG GLU A 36 -2.324 -9.101 4.867 1.00 0.00 C ATOM 571 CD GLU A 36 -3.033 -9.828 5.993 1.00 0.00 C ATOM 572 OE1 GLU A 36 -4.240 -9.581 6.193 1.00 0.00 O ATOM 573 OE2 GLU A 36 -2.379 -10.647 6.675 1.00 0.00 O ATOM 0 H GLU A 36 -4.241 -8.570 1.400 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.621 -6.959 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.201 -8.692 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.253 -9.931 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.410 -9.638 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.026 -8.110 5.210 1.00 0.00 H new ATOM 580 N LYS A 37 -1.225 -9.338 1.314 1.00 0.00 N ATOM 581 CA LYS A 37 0.039 -9.783 0.754 1.00 0.00 C ATOM 582 C LYS A 37 0.570 -8.705 -0.174 1.00 0.00 C ATOM 583 O LYS A 37 1.777 -8.572 -0.374 1.00 0.00 O ATOM 584 CB LYS A 37 -0.138 -11.100 -0.004 1.00 0.00 C ATOM 585 CG LYS A 37 -0.061 -12.330 0.885 1.00 0.00 C ATOM 586 CD LYS A 37 -0.613 -13.560 0.184 1.00 0.00 C ATOM 587 CE LYS A 37 0.097 -14.826 0.637 1.00 0.00 C ATOM 588 NZ LYS A 37 0.229 -14.889 2.119 1.00 0.00 N ATOM 0 H LYS A 37 -2.037 -9.876 1.011 1.00 0.00 H new ATOM 0 HA LYS A 37 0.751 -9.957 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.102 -11.090 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.629 -11.171 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.975 -12.508 1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.620 -12.152 1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.680 -13.648 0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.502 -13.446 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.455 -15.697 0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.087 -14.870 0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.446 -15.864 2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.997 -14.258 2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.664 -14.588 2.560 1.00 0.00 H new ATOM 602 N GLU A 38 -0.355 -7.917 -0.721 1.00 0.00 N ATOM 603 CA GLU A 38 -0.006 -6.827 -1.606 1.00 0.00 C ATOM 604 C GLU A 38 0.238 -5.543 -0.811 1.00 0.00 C ATOM 605 O GLU A 38 0.273 -4.449 -1.370 1.00 0.00 O ATOM 606 CB GLU A 38 -1.123 -6.620 -2.623 1.00 0.00 C ATOM 607 CG GLU A 38 -1.075 -7.593 -3.790 1.00 0.00 C ATOM 608 CD GLU A 38 -1.041 -9.041 -3.341 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.011 -9.463 -2.776 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.044 -9.753 -3.556 1.00 0.00 O ATOM 0 H GLU A 38 -1.357 -8.022 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 38 0.915 -7.078 -2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.084 -6.718 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.068 -5.602 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.945 -7.434 -4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.194 -7.384 -4.397 1.00 0.00 H new ATOM 617 N LEU A 39 0.420 -5.689 0.498 1.00 0.00 N ATOM 618 CA LEU A 39 0.684 -4.553 1.368 1.00 0.00 C ATOM 619 C LEU A 39 2.108 -4.644 1.897 1.00 0.00 C ATOM 620 O LEU A 39 2.778 -3.631 2.091 1.00 0.00 O ATOM 621 CB LEU A 39 -0.318 -4.514 2.525 1.00 0.00 C ATOM 622 CG LEU A 39 -1.139 -3.227 2.625 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.389 -3.323 1.763 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.509 -2.943 4.074 1.00 0.00 C ATOM 0 H LEU A 39 0.389 -6.588 0.979 1.00 0.00 H new ATOM 0 HA LEU A 39 0.571 -3.632 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.002 -5.357 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.224 -4.655 3.460 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.531 -2.401 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.961 -2.399 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.103 -3.480 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.001 -4.160 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.093 -2.024 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.099 -3.771 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.601 -2.831 4.666 1.00 0.00 H new ATOM 636 N LEU A 40 2.570 -5.874 2.107 1.00 0.00 N ATOM 637 CA LEU A 40 3.922 -6.108 2.586 1.00 0.00 C ATOM 638 C LEU A 40 4.926 -5.807 1.480 1.00 0.00 C ATOM 639 O LEU A 40 6.067 -5.431 1.748 1.00 0.00 O ATOM 640 CB LEU A 40 4.079 -7.554 3.060 1.00 0.00 C ATOM 641 CG LEU A 40 5.327 -7.828 3.902 1.00 0.00 C ATOM 642 CD1 LEU A 40 5.080 -7.463 5.357 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.742 -9.286 3.779 1.00 0.00 C ATOM 0 H LEU A 40 2.025 -6.722 1.952 1.00 0.00 H new ATOM 0 HA LEU A 40 4.113 -5.444 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.199 -7.827 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.098 -8.206 2.187 1.00 0.00 H new ATOM 0 HG LEU A 40 6.140 -7.206 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.978 -7.665 5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.830 -6.404 5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.254 -8.058 5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.631 -9.464 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.932 -9.926 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.961 -9.515 2.736 1.00 0.00 H new ATOM 655 N ARG A 41 4.489 -5.966 0.230 1.00 0.00 N ATOM 656 CA ARG A 41 5.348 -5.701 -0.915 1.00 0.00 C ATOM 657 C ARG A 41 5.733 -4.226 -0.960 1.00 0.00 C ATOM 658 O ARG A 41 6.883 -3.883 -1.229 1.00 0.00 O ATOM 659 CB ARG A 41 4.645 -6.099 -2.213 1.00 0.00 C ATOM 660 CG ARG A 41 4.967 -7.513 -2.670 1.00 0.00 C ATOM 661 CD ARG A 41 4.274 -8.550 -1.801 1.00 0.00 C ATOM 662 NE ARG A 41 4.906 -9.864 -1.906 1.00 0.00 N ATOM 663 CZ ARG A 41 4.370 -10.985 -1.431 1.00 0.00 C ATOM 664 NH1 ARG A 41 3.193 -10.958 -0.816 1.00 0.00 N ATOM 665 NH2 ARG A 41 5.012 -12.137 -1.569 1.00 0.00 N ATOM 0 H ARG A 41 3.548 -6.276 -0.011 1.00 0.00 H new ATOM 0 HA ARG A 41 6.254 -6.297 -0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.568 -6.007 -2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.928 -5.399 -2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.658 -7.641 -3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.045 -7.671 -2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.291 -8.222 -0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.227 -8.627 -2.094 1.00 0.00 H new ATOM 0 HE ARG A 41 5.812 -9.925 -2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.695 -10.075 -0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.787 -11.821 -0.454 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.917 -12.163 -2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.601 -12.997 -1.205 1.00 0.00 H new ATOM 679 N VAL A 42 4.762 -3.358 -0.688 1.00 0.00 N ATOM 680 CA VAL A 42 5.002 -1.921 -0.689 1.00 0.00 C ATOM 681 C VAL A 42 5.939 -1.525 0.446 1.00 0.00 C ATOM 682 O VAL A 42 6.629 -0.508 0.370 1.00 0.00 O ATOM 683 CB VAL A 42 3.683 -1.133 -0.562 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.943 0.365 -0.634 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.700 -1.559 -1.641 1.00 0.00 C ATOM 0 H VAL A 42 3.804 -3.626 -0.465 1.00 0.00 H new ATOM 0 HA VAL A 42 5.469 -1.673 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 42 3.243 -1.356 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.999 0.903 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.608 0.658 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.408 0.608 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.775 -0.992 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.132 -1.368 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.487 -2.623 -1.539 1.00 0.00 H new ATOM 695 N GLY A 43 5.966 -2.340 1.496 1.00 0.00 N ATOM 696 CA GLY A 43 6.831 -2.062 2.627 1.00 0.00 C ATOM 697 C GLY A 43 8.278 -2.383 2.320 1.00 0.00 C ATOM 698 O GLY A 43 9.176 -1.603 2.635 1.00 0.00 O ATOM 0 H GLY A 43 5.405 -3.187 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.742 -1.011 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.504 -2.646 3.487 1.00 0.00 H new ATOM 702 N GLN A 44 8.502 -3.532 1.691 1.00 0.00 N ATOM 703 CA GLN A 44 9.848 -3.951 1.326 1.00 0.00 C ATOM 704 C GLN A 44 10.467 -2.957 0.351 1.00 0.00 C ATOM 705 O GLN A 44 11.686 -2.796 0.302 1.00 0.00 O ATOM 706 CB GLN A 44 9.821 -5.349 0.704 1.00 0.00 C ATOM 707 CG GLN A 44 9.517 -6.454 1.703 1.00 0.00 C ATOM 708 CD GLN A 44 10.276 -7.732 1.407 1.00 0.00 C ATOM 709 OE1 GLN A 44 10.186 -8.281 0.309 1.00 0.00 O ATOM 710 NE2 GLN A 44 11.030 -8.213 2.389 1.00 0.00 N ATOM 0 H GLN A 44 7.768 -4.188 1.424 1.00 0.00 H new ATOM 0 HA GLN A 44 10.457 -3.981 2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.072 -5.371 -0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.785 -5.548 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.768 -6.111 2.707 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.447 -6.661 1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.075 -7.725 3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.564 -9.071 2.249 1.00 0.00 H new ATOM 719 N ILE A 45 9.615 -2.287 -0.421 1.00 0.00 N ATOM 720 CA ILE A 45 10.074 -1.301 -1.390 1.00 0.00 C ATOM 721 C ILE A 45 10.613 -0.055 -0.701 1.00 0.00 C ATOM 722 O ILE A 45 11.244 0.791 -1.333 1.00 0.00 O ATOM 723 CB ILE A 45 8.944 -0.910 -2.366 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.437 -2.147 -3.109 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.425 0.143 -3.356 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.997 -2.031 -3.562 1.00 0.00 C ATOM 0 H ILE A 45 8.603 -2.411 -0.393 1.00 0.00 H new ATOM 0 HA ILE A 45 10.883 -1.762 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 45 8.123 -0.485 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.070 -2.324 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.537 -3.017 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.612 0.403 -4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.744 1.033 -2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.263 -0.253 -3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.704 -2.943 -4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.353 -1.885 -2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.895 -1.181 -4.237 1.00 0.00 H new ATOM 738 N LEU A 46 10.379 0.050 0.599 1.00 0.00 N ATOM 739 CA LEU A 46 10.865 1.188 1.355 1.00 0.00 C ATOM 740 C LEU A 46 12.122 0.810 2.122 1.00 0.00 C ATOM 741 O LEU A 46 12.962 1.658 2.422 1.00 0.00 O ATOM 742 CB LEU A 46 9.788 1.693 2.318 1.00 0.00 C ATOM 743 CG LEU A 46 8.604 2.423 1.673 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.770 3.929 1.805 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.444 2.033 0.208 1.00 0.00 C ATOM 0 H LEU A 46 9.859 -0.636 1.147 1.00 0.00 H new ATOM 0 HA LEU A 46 11.107 1.990 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.403 0.843 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.257 2.365 3.037 1.00 0.00 H new ATOM 0 HG LEU A 46 7.699 2.122 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.920 4.431 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.819 4.199 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.689 4.239 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.596 2.568 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.350 2.293 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.271 0.959 0.134 1.00 0.00 H new ATOM 757 N LYS A 47 12.249 -0.477 2.422 1.00 0.00 N ATOM 758 CA LYS A 47 13.407 -0.982 3.138 1.00 0.00 C ATOM 759 C LYS A 47 14.602 -1.094 2.199 1.00 0.00 C ATOM 760 O LYS A 47 15.750 -1.066 2.638 1.00 0.00 O ATOM 761 CB LYS A 47 13.098 -2.346 3.757 1.00 0.00 C ATOM 762 CG LYS A 47 12.168 -2.273 4.957 1.00 0.00 C ATOM 763 CD LYS A 47 11.464 -3.598 5.198 1.00 0.00 C ATOM 764 CE LYS A 47 12.252 -4.483 6.152 1.00 0.00 C ATOM 765 NZ LYS A 47 11.624 -5.823 6.312 1.00 0.00 N ATOM 0 H LYS A 47 11.561 -1.189 2.178 1.00 0.00 H new ATOM 0 HA LYS A 47 13.651 -0.282 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.649 -2.987 2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.032 -2.818 4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.738 -1.996 5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.427 -1.490 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.471 -3.414 5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.327 -4.116 4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.270 -4.601 5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.322 -3.996 7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.191 -6.396 6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.662 -5.712 6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.580 -6.298 5.388 1.00 0.00 H new ATOM 779 N GLU A 48 14.327 -1.219 0.899 1.00 0.00 N ATOM 780 CA GLU A 48 15.391 -1.331 -0.087 1.00 0.00 C ATOM 781 C GLU A 48 15.904 0.050 -0.496 1.00 0.00 C ATOM 782 O GLU A 48 15.120 0.926 -0.858 1.00 0.00 O ATOM 783 CB GLU A 48 14.891 -2.084 -1.316 1.00 0.00 C ATOM 784 CG GLU A 48 14.733 -3.579 -1.089 1.00 0.00 C ATOM 785 CD GLU A 48 15.309 -4.405 -2.222 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.484 -3.855 -3.330 1.00 0.00 O ATOM 787 OE2 GLU A 48 15.585 -5.603 -2.003 1.00 0.00 O ATOM 0 H GLU A 48 13.384 -1.245 0.512 1.00 0.00 H new ATOM 0 HA GLU A 48 16.215 -1.885 0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.931 -1.668 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.586 -1.921 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.225 -3.855 -0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.675 -3.815 -0.973 1.00 0.00 H new ATOM 794 N PRO A 49 17.232 0.266 -0.446 1.00 0.00 N ATOM 795 CA PRO A 49 17.834 1.550 -0.816 1.00 0.00 C ATOM 796 C PRO A 49 17.778 1.817 -2.317 1.00 0.00 C ATOM 797 O PRO A 49 17.978 2.947 -2.764 1.00 0.00 O ATOM 798 CB PRO A 49 19.285 1.406 -0.354 1.00 0.00 C ATOM 799 CG PRO A 49 19.548 -0.058 -0.388 1.00 0.00 C ATOM 800 CD PRO A 49 18.247 -0.721 -0.029 1.00 0.00 C ATOM 0 HA PRO A 49 17.305 2.389 -0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.966 1.946 -1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.423 1.810 0.649 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.886 -0.371 -1.376 1.00 0.00 H new ATOM 0 HG3 PRO A 49 20.333 -0.330 0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 49 18.123 -1.670 -0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 49 18.186 -0.934 1.038 1.00 0.00 H new ATOM 808 N LYS A 50 17.509 0.772 -3.096 1.00 0.00 N ATOM 809 CA LYS A 50 17.431 0.901 -4.546 1.00 0.00 C ATOM 810 C LYS A 50 16.087 1.482 -4.977 1.00 0.00 C ATOM 811 O LYS A 50 15.976 2.089 -6.043 1.00 0.00 O ATOM 812 CB LYS A 50 17.646 -0.460 -5.211 1.00 0.00 C ATOM 813 CG LYS A 50 18.339 -0.376 -6.561 1.00 0.00 C ATOM 814 CD LYS A 50 17.334 -0.274 -7.698 1.00 0.00 C ATOM 815 CE LYS A 50 17.102 -1.623 -8.358 1.00 0.00 C ATOM 816 NZ LYS A 50 18.380 -2.265 -8.775 1.00 0.00 N ATOM 0 H LYS A 50 17.342 -0.172 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 50 18.217 1.585 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.238 -1.090 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.680 -0.950 -5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.999 0.491 -6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.965 -1.257 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.389 0.113 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.694 0.439 -8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.575 -2.280 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.459 -1.495 -9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.224 -2.820 -9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.094 -1.531 -8.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.716 -2.893 -8.017 1.00 0.00 H new ATOM 830 N MET A 51 15.067 1.292 -4.146 1.00 0.00 N ATOM 831 CA MET A 51 13.731 1.798 -4.447 1.00 0.00 C ATOM 832 C MET A 51 13.275 2.823 -3.411 1.00 0.00 C ATOM 833 O MET A 51 12.469 3.703 -3.713 1.00 0.00 O ATOM 834 CB MET A 51 12.723 0.650 -4.525 1.00 0.00 C ATOM 835 CG MET A 51 12.916 -0.415 -3.458 1.00 0.00 C ATOM 836 SD MET A 51 13.325 -2.030 -4.147 1.00 0.00 S ATOM 837 CE MET A 51 12.456 -3.099 -3.004 1.00 0.00 C ATOM 0 H MET A 51 15.139 0.792 -3.260 1.00 0.00 H new ATOM 0 HA MET A 51 13.780 2.293 -5.417 1.00 0.00 H new ATOM 0 HB2 MET A 51 11.716 1.058 -4.439 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.795 0.183 -5.507 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.710 -0.103 -2.780 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.005 -0.498 -2.865 1.00 0.00 H new ATOM 0 HE1 MET A 51 12.941 -4.075 -2.978 1.00 0.00 H new ATOM 0 HE2 MET A 51 12.474 -2.658 -2.008 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.423 -3.217 -3.330 1.00 0.00 H new ATOM 847 N ALA A 52 13.793 2.708 -2.192 1.00 0.00 N ATOM 848 CA ALA A 52 13.432 3.632 -1.123 1.00 0.00 C ATOM 849 C ALA A 52 13.800 5.065 -1.492 1.00 0.00 C ATOM 850 O ALA A 52 12.966 5.968 -1.422 1.00 0.00 O ATOM 851 CB ALA A 52 14.110 3.230 0.177 1.00 0.00 C ATOM 0 H ALA A 52 14.462 1.987 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 52 12.352 3.584 -0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.830 3.930 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.795 2.225 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.192 3.247 0.044 1.00 0.00 H new ATOM 857 N ALA A 53 15.052 5.265 -1.887 1.00 0.00 N ATOM 858 CA ALA A 53 15.530 6.588 -2.269 1.00 0.00 C ATOM 859 C ALA A 53 14.791 7.099 -3.500 1.00 0.00 C ATOM 860 O ALA A 53 14.495 8.289 -3.609 1.00 0.00 O ATOM 861 CB ALA A 53 17.029 6.553 -2.528 1.00 0.00 C ATOM 0 H ALA A 53 15.754 4.528 -1.951 1.00 0.00 H new ATOM 0 HA ALA A 53 15.332 7.273 -1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.372 7.548 -2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.547 6.235 -1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.243 5.851 -3.334 1.00 0.00 H new ATOM 867 N SER A 54 14.494 6.191 -4.424 1.00 0.00 N ATOM 868 CA SER A 54 13.786 6.548 -5.648 1.00 0.00 C ATOM 869 C SER A 54 12.329 6.890 -5.353 1.00 0.00 C ATOM 870 O SER A 54 11.733 7.738 -6.017 1.00 0.00 O ATOM 871 CB SER A 54 13.858 5.401 -6.657 1.00 0.00 C ATOM 872 OG SER A 54 15.197 5.147 -7.045 1.00 0.00 O ATOM 0 H SER A 54 14.733 5.202 -4.348 1.00 0.00 H new ATOM 0 HA SER A 54 14.269 7.428 -6.074 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.425 4.501 -6.221 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.262 5.647 -7.536 1.00 0.00 H new ATOM 0 HG SER A 54 15.450 4.240 -6.773 1.00 0.00 H new ATOM 878 N LEU A 55 11.762 6.222 -4.354 1.00 0.00 N ATOM 879 CA LEU A 55 10.374 6.455 -3.971 1.00 0.00 C ATOM 880 C LEU A 55 10.203 7.842 -3.360 1.00 0.00 C ATOM 881 O LEU A 55 9.162 8.479 -3.524 1.00 0.00 O ATOM 882 CB LEU A 55 9.913 5.382 -2.982 1.00 0.00 C ATOM 883 CG LEU A 55 8.816 4.452 -3.503 1.00 0.00 C ATOM 884 CD1 LEU A 55 9.393 3.446 -4.487 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.129 3.739 -2.349 1.00 0.00 C ATOM 0 H LEU A 55 12.241 5.516 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 55 9.758 6.400 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.774 4.779 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.553 5.873 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 55 8.072 5.054 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.598 2.793 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.838 3.975 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.157 2.848 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.352 3.082 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.861 3.148 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.681 4.475 -1.682 1.00 0.00 H new ATOM 897 N LEU A 56 11.231 8.301 -2.655 1.00 0.00 N ATOM 898 CA LEU A 56 11.194 9.612 -2.016 1.00 0.00 C ATOM 899 C LEU A 56 12.176 10.574 -2.679 1.00 0.00 C ATOM 900 O LEU A 56 12.655 11.517 -2.050 1.00 0.00 O ATOM 901 CB LEU A 56 11.518 9.485 -0.526 1.00 0.00 C ATOM 902 CG LEU A 56 12.888 8.884 -0.208 1.00 0.00 C ATOM 903 CD1 LEU A 56 13.960 9.963 -0.218 1.00 0.00 C ATOM 904 CD2 LEU A 56 12.858 8.173 1.136 1.00 0.00 C ATOM 0 H LEU A 56 12.099 7.786 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 56 10.187 10.014 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.458 10.474 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.751 8.871 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 56 13.131 8.153 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.928 9.517 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.998 10.429 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.723 10.718 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.841 7.751 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.593 8.884 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.118 7.373 1.108 1.00 0.00 H new ATOM 916 N ASN A 57 12.474 10.332 -3.953 1.00 0.00 N ATOM 917 CA ASN A 57 13.398 11.181 -4.694 1.00 0.00 C ATOM 918 C ASN A 57 12.656 12.328 -5.378 1.00 0.00 C ATOM 919 O ASN A 57 11.529 12.156 -5.846 1.00 0.00 O ATOM 920 CB ASN A 57 14.161 10.353 -5.733 1.00 0.00 C ATOM 921 CG ASN A 57 15.660 10.377 -5.505 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.441 10.510 -6.447 1.00 0.00 O ATOM 923 ND2 ASN A 57 16.070 10.245 -4.249 1.00 0.00 N ATOM 0 H ASN A 57 12.089 9.556 -4.491 1.00 0.00 H new ATOM 0 HA ASN A 57 14.110 11.607 -3.987 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.808 9.322 -5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.942 10.735 -6.730 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.067 10.251 -4.035 1.00 0.00 H new ATOM 0 HD22 ASN A 57 15.388 10.137 -3.498 1.00 0.00 H new ATOM 930 N PRO A 58 13.279 13.517 -5.447 1.00 0.00 N ATOM 931 CA PRO A 58 12.668 14.693 -6.079 1.00 0.00 C ATOM 932 C PRO A 58 12.606 14.574 -7.600 1.00 0.00 C ATOM 933 O PRO A 58 11.951 15.373 -8.268 1.00 0.00 O ATOM 934 CB PRO A 58 13.598 15.836 -5.671 1.00 0.00 C ATOM 935 CG PRO A 58 14.920 15.186 -5.452 1.00 0.00 C ATOM 936 CD PRO A 58 14.624 13.811 -4.916 1.00 0.00 C ATOM 0 HA PRO A 58 11.633 14.831 -5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.655 16.597 -6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.245 16.330 -4.766 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.485 15.129 -6.382 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.524 15.758 -4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.358 13.081 -5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.638 13.793 -3.826 1.00 0.00 H new ATOM 944 N TYR A 59 13.292 13.572 -8.144 1.00 0.00 N ATOM 945 CA TYR A 59 13.314 13.353 -9.585 1.00 0.00 C ATOM 946 C TYR A 59 12.135 12.491 -10.022 1.00 0.00 C ATOM 947 O TYR A 59 11.481 12.777 -11.025 1.00 0.00 O ATOM 948 CB TYR A 59 14.628 12.688 -9.998 1.00 0.00 C ATOM 949 CG TYR A 59 15.851 13.333 -9.382 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.240 13.026 -8.083 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.613 14.246 -10.097 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.355 13.613 -7.516 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.731 14.837 -9.537 1.00 0.00 C ATOM 954 CZ TYR A 59 18.097 14.518 -8.247 1.00 0.00 C ATOM 955 OH TYR A 59 19.208 15.103 -7.686 1.00 0.00 O ATOM 0 H TYR A 59 13.840 12.899 -7.607 1.00 0.00 H new ATOM 0 HA TYR A 59 13.233 14.322 -10.077 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.599 11.636 -9.713 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.717 12.721 -11.084 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.662 12.318 -7.508 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.328 14.499 -11.108 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.644 13.365 -6.506 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.314 15.545 -10.107 1.00 0.00 H new ATOM 0 HH TYR A 59 19.618 15.714 -8.333 1.00 0.00 H new ATOM 965 N VAL A 60 11.869 11.433 -9.264 1.00 0.00 N ATOM 966 CA VAL A 60 10.769 10.527 -9.572 1.00 0.00 C ATOM 967 C VAL A 60 9.432 11.263 -9.595 1.00 0.00 C ATOM 968 O VAL A 60 8.465 10.790 -10.190 1.00 0.00 O ATOM 969 CB VAL A 60 10.689 9.375 -8.554 1.00 0.00 C ATOM 970 CG1 VAL A 60 11.927 8.497 -8.644 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.512 9.918 -7.145 1.00 0.00 C ATOM 0 H VAL A 60 12.401 11.182 -8.431 1.00 0.00 H new ATOM 0 HA VAL A 60 10.969 10.117 -10.562 1.00 0.00 H new ATOM 0 HB VAL A 60 9.820 8.763 -8.793 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.853 7.688 -7.917 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.004 8.078 -9.647 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.813 9.095 -8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.458 9.089 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.359 10.555 -6.891 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.592 10.500 -7.092 1.00 0.00 H new ATOM 981 N LYS A 61 9.382 12.422 -8.943 1.00 0.00 N ATOM 982 CA LYS A 61 8.160 13.216 -8.894 1.00 0.00 C ATOM 983 C LYS A 61 7.031 12.437 -8.227 1.00 0.00 C ATOM 984 O LYS A 61 7.256 11.379 -7.639 1.00 0.00 O ATOM 985 CB LYS A 61 7.742 13.636 -10.306 1.00 0.00 C ATOM 986 CG LYS A 61 7.191 15.050 -10.381 1.00 0.00 C ATOM 987 CD LYS A 61 7.616 15.745 -11.664 1.00 0.00 C ATOM 988 CE LYS A 61 9.031 16.292 -11.560 1.00 0.00 C ATOM 989 NZ LYS A 61 9.645 16.505 -12.899 1.00 0.00 N ATOM 0 H LYS A 61 10.172 12.830 -8.443 1.00 0.00 H new ATOM 0 HA LYS A 61 8.360 14.109 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.602 13.554 -10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.988 12.941 -10.675 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.103 15.021 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.540 15.624 -9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.556 15.043 -12.496 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.925 16.559 -11.884 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.016 17.235 -11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.646 15.600 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.609 16.878 -12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.683 15.601 -13.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.073 17.185 -13.439 1.00 0.00 H new ATOM 1003 N ARG A 62 5.816 12.967 -8.321 1.00 0.00 N ATOM 1004 CA ARG A 62 4.651 12.322 -7.726 1.00 0.00 C ATOM 1005 C ARG A 62 3.854 11.560 -8.779 1.00 0.00 C ATOM 1006 O ARG A 62 3.719 10.338 -8.706 1.00 0.00 O ATOM 1007 CB ARG A 62 3.758 13.362 -7.047 1.00 0.00 C ATOM 1008 CG ARG A 62 2.528 12.766 -6.381 1.00 0.00 C ATOM 1009 CD ARG A 62 1.320 12.811 -7.304 1.00 0.00 C ATOM 1010 NE ARG A 62 1.036 14.165 -7.770 1.00 0.00 N ATOM 1011 CZ ARG A 62 0.487 15.110 -7.011 1.00 0.00 C ATOM 1012 NH1 ARG A 62 0.162 14.853 -5.750 1.00 0.00 N ATOM 1013 NH2 ARG A 62 0.263 16.317 -7.514 1.00 0.00 N ATOM 0 H ARG A 62 5.612 13.842 -8.804 1.00 0.00 H new ATOM 0 HA ARG A 62 5.003 11.611 -6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.342 13.898 -6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.440 14.095 -7.788 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.731 11.734 -6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.308 13.313 -5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.495 12.162 -8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.449 12.418 -6.780 1.00 0.00 H new ATOM 0 HE ARG A 62 1.272 14.400 -8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.333 13.927 -5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.259 15.582 -5.173 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.512 16.520 -8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.158 17.042 -6.933 1.00 0.00 H new ATOM 1027 N SER A 63 3.326 12.288 -9.757 1.00 0.00 N ATOM 1028 CA SER A 63 2.540 11.681 -10.825 1.00 0.00 C ATOM 1029 C SER A 63 3.368 10.660 -11.598 1.00 0.00 C ATOM 1030 O SER A 63 2.916 9.542 -11.849 1.00 0.00 O ATOM 1031 CB SER A 63 2.017 12.758 -11.779 1.00 0.00 C ATOM 1032 OG SER A 63 0.804 13.314 -11.303 1.00 0.00 O ATOM 0 H SER A 63 3.428 13.300 -9.832 1.00 0.00 H new ATOM 0 HA SER A 63 1.694 11.166 -10.370 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.763 13.545 -11.889 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.860 12.327 -12.768 1.00 0.00 H new ATOM 0 HG SER A 63 0.491 14.000 -11.929 1.00 0.00 H new ATOM 1038 N VAL A 64 4.582 11.049 -11.973 1.00 0.00 N ATOM 1039 CA VAL A 64 5.472 10.165 -12.716 1.00 0.00 C ATOM 1040 C VAL A 64 5.729 8.874 -11.947 1.00 0.00 C ATOM 1041 O VAL A 64 5.716 7.784 -12.521 1.00 0.00 O ATOM 1042 CB VAL A 64 6.817 10.849 -13.022 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.667 9.976 -13.933 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.590 12.219 -13.643 1.00 0.00 C ATOM 0 H VAL A 64 4.972 11.970 -11.775 1.00 0.00 H new ATOM 0 HA VAL A 64 4.974 9.930 -13.657 1.00 0.00 H new ATOM 0 HB VAL A 64 7.355 10.985 -12.084 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.613 10.477 -14.138 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.860 9.021 -13.445 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.137 9.804 -14.870 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.552 12.687 -13.852 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.030 12.109 -14.572 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.025 12.843 -12.950 1.00 0.00 H new ATOM 1054 N LYS A 65 5.960 9.002 -10.644 1.00 0.00 N ATOM 1055 CA LYS A 65 6.217 7.842 -9.797 1.00 0.00 C ATOM 1056 C LYS A 65 5.057 6.853 -9.866 1.00 0.00 C ATOM 1057 O LYS A 65 5.250 5.645 -9.734 1.00 0.00 O ATOM 1058 CB LYS A 65 6.444 8.282 -8.348 1.00 0.00 C ATOM 1059 CG LYS A 65 6.697 7.127 -7.391 1.00 0.00 C ATOM 1060 CD LYS A 65 8.130 6.625 -7.488 1.00 0.00 C ATOM 1061 CE LYS A 65 8.248 5.445 -8.440 1.00 0.00 C ATOM 1062 NZ LYS A 65 9.215 5.712 -9.540 1.00 0.00 N ATOM 0 H LYS A 65 5.975 9.896 -10.152 1.00 0.00 H new ATOM 0 HA LYS A 65 7.116 7.347 -10.163 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.294 8.964 -8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.573 8.841 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.491 7.448 -6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.009 6.311 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.777 7.434 -7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.481 6.331 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.564 4.562 -7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.269 5.222 -8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.563 4.810 -9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.743 6.249 -10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.016 6.264 -9.172 1.00 0.00 H new ATOM 1076 N VAL A 66 3.852 7.374 -10.077 1.00 0.00 N ATOM 1077 CA VAL A 66 2.664 6.534 -10.166 1.00 0.00 C ATOM 1078 C VAL A 66 2.791 5.530 -11.306 1.00 0.00 C ATOM 1079 O VAL A 66 2.438 4.360 -11.158 1.00 0.00 O ATOM 1080 CB VAL A 66 1.392 7.379 -10.377 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.151 6.499 -10.336 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.304 8.485 -9.336 1.00 0.00 C ATOM 0 H VAL A 66 3.673 8.372 -10.189 1.00 0.00 H new ATOM 0 HA VAL A 66 2.580 5.999 -9.220 1.00 0.00 H new ATOM 0 HB VAL A 66 1.448 7.843 -11.362 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.736 7.114 -10.487 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.211 5.749 -11.124 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.088 6.003 -9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.399 9.070 -9.502 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.274 8.045 -8.339 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.176 9.134 -9.420 1.00 0.00 H new ATOM 1092 N LYS A 67 3.301 5.993 -12.443 1.00 0.00 N ATOM 1093 CA LYS A 67 3.478 5.131 -13.606 1.00 0.00 C ATOM 1094 C LYS A 67 4.522 4.056 -13.327 1.00 0.00 C ATOM 1095 O LYS A 67 4.448 2.950 -13.863 1.00 0.00 O ATOM 1096 CB LYS A 67 3.892 5.960 -14.824 1.00 0.00 C ATOM 1097 CG LYS A 67 2.719 6.567 -15.575 1.00 0.00 C ATOM 1098 CD LYS A 67 1.948 5.510 -16.350 1.00 0.00 C ATOM 1099 CE LYS A 67 1.111 6.131 -17.456 1.00 0.00 C ATOM 1100 NZ LYS A 67 0.784 5.147 -18.524 1.00 0.00 N ATOM 0 H LYS A 67 3.598 6.958 -12.584 1.00 0.00 H new ATOM 0 HA LYS A 67 2.526 4.643 -13.817 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.558 6.760 -14.499 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.462 5.329 -15.506 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.051 7.063 -14.870 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.082 7.332 -16.262 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.646 4.791 -16.780 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.301 4.958 -15.669 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.188 6.528 -17.033 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.651 6.973 -17.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.212 5.610 -19.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.664 4.787 -18.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.247 4.356 -18.115 1.00 0.00 H new ATOM 1114 N SER A 68 5.493 4.388 -12.482 1.00 0.00 N ATOM 1115 CA SER A 68 6.552 3.451 -12.128 1.00 0.00 C ATOM 1116 C SER A 68 6.008 2.320 -11.263 1.00 0.00 C ATOM 1117 O SER A 68 6.325 1.150 -11.482 1.00 0.00 O ATOM 1118 CB SER A 68 7.676 4.177 -11.387 1.00 0.00 C ATOM 1119 OG SER A 68 8.659 4.657 -12.289 1.00 0.00 O ATOM 0 H SER A 68 5.568 5.299 -12.030 1.00 0.00 H new ATOM 0 HA SER A 68 6.949 3.024 -13.049 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.262 5.010 -10.819 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.138 3.500 -10.668 1.00 0.00 H new ATOM 0 HG SER A 68 8.770 5.623 -12.168 1.00 0.00 H new ATOM 1125 N LEU A 69 5.186 2.676 -10.281 1.00 0.00 N ATOM 1126 CA LEU A 69 4.598 1.690 -9.383 1.00 0.00 C ATOM 1127 C LEU A 69 3.690 0.732 -10.148 1.00 0.00 C ATOM 1128 O LEU A 69 3.590 -0.445 -9.809 1.00 0.00 O ATOM 1129 CB LEU A 69 3.807 2.388 -8.275 1.00 0.00 C ATOM 1130 CG LEU A 69 4.643 2.874 -7.090 1.00 0.00 C ATOM 1131 CD1 LEU A 69 3.977 4.067 -6.422 1.00 0.00 C ATOM 1132 CD2 LEU A 69 4.852 1.748 -6.089 1.00 0.00 C ATOM 0 H LEU A 69 4.912 3.639 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 69 5.407 1.114 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.284 3.242 -8.706 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.045 1.701 -7.905 1.00 0.00 H new ATOM 0 HG LEU A 69 5.618 3.189 -7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.585 4.400 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.878 4.879 -7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.989 3.778 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.449 2.111 -5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.885 1.403 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.372 0.922 -6.574 1.00 0.00 H new ATOM 1144 N SER A 70 3.029 1.248 -11.178 1.00 0.00 N ATOM 1145 CA SER A 70 2.128 0.440 -11.990 1.00 0.00 C ATOM 1146 C SER A 70 2.897 -0.619 -12.769 1.00 0.00 C ATOM 1147 O SER A 70 2.468 -1.768 -12.862 1.00 0.00 O ATOM 1148 CB SER A 70 1.334 1.327 -12.952 1.00 0.00 C ATOM 1149 OG SER A 70 2.173 1.867 -13.958 1.00 0.00 O ATOM 0 H SER A 70 3.100 2.223 -11.470 1.00 0.00 H new ATOM 0 HA SER A 70 1.433 -0.065 -11.319 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.536 0.745 -13.413 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.859 2.136 -12.397 1.00 0.00 H new ATOM 0 HG SER A 70 3.055 2.063 -13.578 1.00 0.00 H new ATOM 1155 N ASP A 71 4.041 -0.232 -13.320 1.00 0.00 N ATOM 1156 CA ASP A 71 4.867 -1.164 -14.074 1.00 0.00 C ATOM 1157 C ASP A 71 5.732 -1.978 -13.124 1.00 0.00 C ATOM 1158 O ASP A 71 6.070 -3.128 -13.404 1.00 0.00 O ATOM 1159 CB ASP A 71 5.742 -0.416 -15.082 1.00 0.00 C ATOM 1160 CG ASP A 71 4.989 -0.062 -16.349 1.00 0.00 C ATOM 1161 OD1 ASP A 71 3.979 0.666 -16.256 1.00 0.00 O ATOM 1162 OD2 ASP A 71 5.412 -0.512 -17.436 1.00 0.00 O ATOM 0 H ASP A 71 4.415 0.715 -13.259 1.00 0.00 H new ATOM 0 HA ASP A 71 4.214 -1.841 -14.625 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.123 0.496 -14.622 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.606 -1.030 -15.336 1.00 0.00 H new ATOM 1167 N MET A 72 6.073 -1.375 -11.991 1.00 0.00 N ATOM 1168 CA MET A 72 6.880 -2.048 -10.989 1.00 0.00 C ATOM 1169 C MET A 72 6.025 -3.016 -10.191 1.00 0.00 C ATOM 1170 O MET A 72 6.525 -4.022 -9.686 1.00 0.00 O ATOM 1171 CB MET A 72 7.540 -1.030 -10.056 1.00 0.00 C ATOM 1172 CG MET A 72 8.403 -1.663 -8.976 1.00 0.00 C ATOM 1173 SD MET A 72 8.902 -0.485 -7.706 1.00 0.00 S ATOM 1174 CE MET A 72 7.331 -0.160 -6.910 1.00 0.00 C ATOM 0 H MET A 72 5.802 -0.423 -11.747 1.00 0.00 H new ATOM 0 HA MET A 72 7.665 -2.608 -11.497 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.154 -0.352 -10.648 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.765 -0.427 -9.583 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.854 -2.482 -8.511 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.292 -2.096 -9.434 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.505 0.199 -5.896 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.787 0.597 -7.475 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.744 -1.078 -6.874 1.00 0.00 H new ATOM 1184 N THR A 73 4.727 -2.730 -10.092 1.00 0.00 N ATOM 1185 CA THR A 73 3.838 -3.616 -9.366 1.00 0.00 C ATOM 1186 C THR A 73 3.771 -4.960 -10.067 1.00 0.00 C ATOM 1187 O THR A 73 3.586 -5.995 -9.426 1.00 0.00 O ATOM 1188 CB THR A 73 2.436 -3.033 -9.228 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.657 -3.873 -8.409 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.694 -2.890 -10.532 1.00 0.00 C ATOM 0 H THR A 73 4.281 -1.908 -10.499 1.00 0.00 H new ATOM 0 HA THR A 73 4.242 -3.740 -8.361 1.00 0.00 H new ATOM 0 HB THR A 73 2.578 -2.038 -8.807 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.096 -3.981 -7.540 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.706 -2.469 -10.344 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.250 -2.229 -11.197 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.588 -3.869 -10.999 1.00 0.00 H new ATOM 1198 N ALA A 74 3.947 -4.946 -11.388 1.00 0.00 N ATOM 1199 CA ALA A 74 3.931 -6.178 -12.158 1.00 0.00 C ATOM 1200 C ALA A 74 4.861 -7.199 -11.516 1.00 0.00 C ATOM 1201 O ALA A 74 4.647 -8.408 -11.622 1.00 0.00 O ATOM 1202 CB ALA A 74 4.337 -5.912 -13.600 1.00 0.00 C ATOM 0 H ALA A 74 4.101 -4.101 -11.938 1.00 0.00 H new ATOM 0 HA ALA A 74 2.918 -6.580 -12.162 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.319 -6.846 -14.161 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.640 -5.205 -14.050 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.343 -5.494 -13.623 1.00 0.00 H new ATOM 1208 N LYS A 75 5.894 -6.698 -10.838 1.00 0.00 N ATOM 1209 CA LYS A 75 6.851 -7.562 -10.164 1.00 0.00 C ATOM 1210 C LYS A 75 6.543 -7.673 -8.673 1.00 0.00 C ATOM 1211 O LYS A 75 6.951 -8.633 -8.019 1.00 0.00 O ATOM 1212 CB LYS A 75 8.276 -7.041 -10.369 1.00 0.00 C ATOM 1213 CG LYS A 75 8.965 -7.619 -11.594 1.00 0.00 C ATOM 1214 CD LYS A 75 9.969 -6.641 -12.181 1.00 0.00 C ATOM 1215 CE LYS A 75 10.436 -7.081 -13.558 1.00 0.00 C ATOM 1216 NZ LYS A 75 10.904 -5.932 -14.382 1.00 0.00 N ATOM 0 H LYS A 75 6.085 -5.701 -10.744 1.00 0.00 H new ATOM 0 HA LYS A 75 6.769 -8.557 -10.602 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.248 -5.955 -10.457 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.870 -7.274 -9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.472 -8.545 -11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.219 -7.872 -12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.518 -5.651 -12.248 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.827 -6.556 -11.515 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.244 -7.805 -13.453 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.620 -7.588 -14.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.214 -6.276 -15.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.126 -5.253 -14.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.700 -5.463 -13.904 1.00 0.00 H new ATOM 1230 N GLU A 76 5.818 -6.693 -8.135 1.00 0.00 N ATOM 1231 CA GLU A 76 5.464 -6.706 -6.722 1.00 0.00 C ATOM 1232 C GLU A 76 4.394 -7.755 -6.444 1.00 0.00 C ATOM 1233 O GLU A 76 4.637 -8.720 -5.720 1.00 0.00 O ATOM 1234 CB GLU A 76 4.968 -5.325 -6.286 1.00 0.00 C ATOM 1235 CG GLU A 76 6.005 -4.227 -6.448 1.00 0.00 C ATOM 1236 CD GLU A 76 7.170 -4.380 -5.490 1.00 0.00 C ATOM 1237 OE1 GLU A 76 6.965 -4.932 -4.389 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.289 -3.948 -5.841 1.00 0.00 O ATOM 0 H GLU A 76 5.468 -5.887 -8.654 1.00 0.00 H new ATOM 0 HA GLU A 76 6.356 -6.960 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.083 -5.066 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.661 -5.372 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.378 -4.233 -7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.532 -3.258 -6.287 1.00 0.00 H new ATOM 1245 N LYS A 77 3.212 -7.554 -7.036 1.00 0.00 N ATOM 1246 CA LYS A 77 2.076 -8.471 -6.877 1.00 0.00 C ATOM 1247 C LYS A 77 0.752 -7.733 -7.071 1.00 0.00 C ATOM 1248 O LYS A 77 -0.231 -8.312 -7.531 1.00 0.00 O ATOM 1249 CB LYS A 77 2.080 -9.138 -5.494 1.00 0.00 C ATOM 1250 CG LYS A 77 2.653 -10.547 -5.500 1.00 0.00 C ATOM 1251 CD LYS A 77 1.557 -11.593 -5.626 1.00 0.00 C ATOM 1252 CE LYS A 77 1.125 -12.114 -4.265 1.00 0.00 C ATOM 1253 NZ LYS A 77 0.667 -13.529 -4.332 1.00 0.00 N ATOM 0 H LYS A 77 3.015 -6.754 -7.637 1.00 0.00 H new ATOM 0 HA LYS A 77 2.179 -9.243 -7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.658 -8.523 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.059 -9.171 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.355 -10.652 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.215 -10.716 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.699 -11.162 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.912 -12.422 -6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.957 -12.034 -3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.320 -11.490 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.381 -13.847 -3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.143 -13.601 -4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.443 -14.129 -4.679 1.00 0.00 H new ATOM 1267 N PHE A 78 0.734 -6.454 -6.696 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.466 -5.629 -6.807 1.00 0.00 C ATOM 1269 C PHE A 78 -1.112 -5.731 -8.164 1.00 0.00 C ATOM 1270 O PHE A 78 -0.641 -6.444 -9.048 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.150 -4.159 -6.548 1.00 0.00 C ATOM 1272 CG PHE A 78 0.947 -3.956 -5.565 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.928 -4.626 -4.360 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.006 -3.123 -5.859 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.958 -4.466 -3.457 1.00 0.00 C ATOM 1276 CE2 PHE A 78 3.036 -2.952 -4.963 1.00 0.00 C ATOM 1277 CZ PHE A 78 3.014 -3.625 -3.757 1.00 0.00 C ATOM 0 H PHE A 78 1.542 -5.966 -6.311 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.156 -6.009 -6.054 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.123 -3.682 -7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.049 -3.660 -6.187 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.102 -5.280 -4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.027 -2.599 -6.803 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.940 -4.997 -2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.859 -2.294 -5.202 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.820 -3.495 -3.050 1.00 0.00 H new ATOM 1287 N SER A 79 -2.188 -4.966 -8.303 1.00 0.00 N ATOM 1288 CA SER A 79 -2.958 -4.880 -9.535 1.00 0.00 C ATOM 1289 C SER A 79 -4.454 -4.820 -9.253 1.00 0.00 C ATOM 1290 O SER A 79 -5.187 -4.115 -9.944 1.00 0.00 O ATOM 1291 CB SER A 79 -2.671 -6.048 -10.487 1.00 0.00 C ATOM 1292 OG SER A 79 -1.494 -5.816 -11.243 1.00 0.00 O ATOM 0 H SER A 79 -2.554 -4.381 -7.552 1.00 0.00 H new ATOM 0 HA SER A 79 -2.644 -3.956 -10.021 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.563 -6.969 -9.914 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.517 -6.188 -11.160 1.00 0.00 H new ATOM 0 HG SER A 79 -0.736 -5.685 -10.636 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.953 -5.598 -8.277 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.365 -5.645 -7.976 1.00 0.00 C ATOM 1300 C PRO A 80 -6.804 -4.804 -6.783 1.00 0.00 C ATOM 1301 O PRO A 80 -7.445 -3.769 -6.963 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.575 -7.132 -7.701 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.250 -7.633 -7.187 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.220 -6.548 -7.440 1.00 0.00 C ATOM 0 HA PRO A 80 -6.959 -5.226 -8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.366 -7.288 -6.967 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.871 -7.661 -8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.313 -7.860 -6.123 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.967 -8.556 -7.694 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.878 -6.090 -6.512 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.337 -6.938 -7.947 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.480 -5.237 -5.569 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.883 -4.481 -4.395 1.00 0.00 C ATOM 1314 C LEU A 81 -5.755 -3.582 -3.948 1.00 0.00 C ATOM 1315 O LEU A 81 -5.839 -2.908 -2.922 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.305 -5.410 -3.263 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.783 -5.814 -3.276 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.675 -4.581 -3.351 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.067 -6.749 -4.441 1.00 0.00 C ATOM 0 H LEU A 81 -5.952 -6.088 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.743 -3.866 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.696 -6.313 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.085 -4.924 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.004 -6.341 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.721 -4.888 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.490 -3.945 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.453 -4.026 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.121 -7.027 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.829 -6.246 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.455 -7.646 -4.345 1.00 0.00 H new ATOM 1331 N THR A 82 -4.700 -3.576 -4.741 1.00 0.00 N ATOM 1332 CA THR A 82 -3.544 -2.768 -4.464 1.00 0.00 C ATOM 1333 C THR A 82 -3.271 -1.817 -5.622 1.00 0.00 C ATOM 1334 O THR A 82 -2.364 -0.991 -5.549 1.00 0.00 O ATOM 1335 CB THR A 82 -2.343 -3.659 -4.199 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.731 -5.021 -4.148 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.643 -3.326 -2.899 1.00 0.00 C ATOM 0 H THR A 82 -4.628 -4.133 -5.592 1.00 0.00 H new ATOM 0 HA THR A 82 -3.734 -2.168 -3.574 1.00 0.00 H new ATOM 0 HB THR A 82 -1.653 -3.482 -5.024 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.255 -5.182 -3.336 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.793 -3.994 -2.762 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.292 -2.294 -2.928 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.339 -3.449 -2.069 1.00 0.00 H new ATOM 1345 N SER A 83 -4.077 -1.907 -6.686 1.00 0.00 N ATOM 1346 CA SER A 83 -3.903 -1.015 -7.821 1.00 0.00 C ATOM 1347 C SER A 83 -4.642 0.294 -7.576 1.00 0.00 C ATOM 1348 O SER A 83 -5.077 0.974 -8.506 1.00 0.00 O ATOM 1349 CB SER A 83 -4.402 -1.656 -9.112 1.00 0.00 C ATOM 1350 OG SER A 83 -5.765 -2.026 -9.001 1.00 0.00 O ATOM 0 H SER A 83 -4.840 -2.577 -6.778 1.00 0.00 H new ATOM 0 HA SER A 83 -2.837 -0.816 -7.930 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.277 -0.959 -9.940 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.800 -2.535 -9.342 1.00 0.00 H new ATOM 0 HG SER A 83 -5.927 -2.840 -9.523 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.757 0.632 -6.306 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.410 1.848 -5.856 1.00 0.00 C ATOM 1358 C ASN A 84 -4.624 2.348 -4.668 1.00 0.00 C ATOM 1359 O ASN A 84 -4.239 3.514 -4.596 1.00 0.00 O ATOM 1360 CB ASN A 84 -6.865 1.578 -5.467 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.824 1.807 -6.618 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.043 0.919 -7.443 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.401 3.000 -6.680 1.00 0.00 N ATOM 0 H ASN A 84 -4.393 0.060 -5.544 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.431 2.592 -6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.960 0.550 -5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.141 2.224 -4.634 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.056 3.211 -7.433 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.190 3.706 -5.975 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.328 1.416 -3.769 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.517 1.710 -2.613 1.00 0.00 C ATOM 1372 C LEU A 85 -2.116 2.070 -3.090 1.00 0.00 C ATOM 1373 O LEU A 85 -1.357 2.729 -2.381 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.461 0.501 -1.672 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.028 0.813 -0.237 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.241 1.069 0.644 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.190 -0.325 0.328 1.00 0.00 C ATOM 0 H LEU A 85 -4.644 0.448 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.951 2.543 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.446 0.036 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.773 -0.234 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.417 1.716 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.913 1.289 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.803 1.917 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.878 0.185 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.892 -0.085 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.777 -1.244 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.301 -0.462 -0.287 1.00 0.00 H new ATOM 1389 N ILE A 86 -1.780 1.637 -4.317 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.477 1.929 -4.886 1.00 0.00 C ATOM 1391 C ILE A 86 -0.371 3.410 -5.236 1.00 0.00 C ATOM 1392 O ILE A 86 0.510 4.114 -4.741 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.187 1.052 -6.136 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.760 -0.091 -5.768 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.402 1.873 -7.280 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.185 -1.046 -4.748 1.00 0.00 C ATOM 0 H ILE A 86 -2.394 1.090 -4.920 1.00 0.00 H new ATOM 0 HA ILE A 86 0.275 1.688 -4.134 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.136 0.641 -6.479 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.014 -0.646 -6.671 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.688 0.328 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.590 1.223 -8.135 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.301 2.655 -7.567 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.338 2.328 -6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.911 -1.831 -4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.044 -0.504 -3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.728 -1.493 -5.142 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.280 3.878 -6.084 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.294 5.276 -6.490 1.00 0.00 C ATOM 1410 C ASN A 87 -1.623 6.172 -5.301 1.00 0.00 C ATOM 1411 O ASN A 87 -1.201 7.326 -5.243 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.315 5.496 -7.609 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.216 6.881 -8.217 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.465 7.731 -7.737 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.976 7.116 -9.281 1.00 0.00 N ATOM 0 H ASN A 87 -2.016 3.309 -6.503 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.303 5.536 -6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.163 4.749 -8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.320 5.346 -7.215 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.952 8.030 -9.733 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.584 6.383 -9.646 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.376 5.625 -4.349 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.760 6.366 -3.155 1.00 0.00 C ATOM 1424 C LEU A 88 -1.572 6.534 -2.217 1.00 0.00 C ATOM 1425 O LEU A 88 -1.400 7.588 -1.604 1.00 0.00 O ATOM 1426 CB LEU A 88 -3.901 5.650 -2.430 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.793 6.547 -1.570 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -3.953 7.367 -0.603 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.635 7.456 -2.452 1.00 0.00 C ATOM 0 H LEU A 88 -2.732 4.670 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.100 7.355 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.524 5.150 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.475 4.873 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.462 5.914 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.605 7.999 0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.392 6.698 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.259 7.993 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.265 8.089 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.981 8.082 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.264 6.850 -3.104 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.752 5.494 -2.110 1.00 0.00 N ATOM 1442 CA LEU A 89 0.418 5.544 -1.244 1.00 0.00 C ATOM 1443 C LEU A 89 1.482 6.464 -1.834 1.00 0.00 C ATOM 1444 O LEU A 89 2.289 7.043 -1.107 1.00 0.00 O ATOM 1445 CB LEU A 89 0.986 4.140 -1.031 1.00 0.00 C ATOM 1446 CG LEU A 89 0.565 3.477 0.280 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.979 2.014 0.299 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.163 4.222 1.462 1.00 0.00 C ATOM 0 H LEU A 89 -0.875 4.613 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 89 0.113 5.945 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.673 3.506 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.074 4.194 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.521 3.521 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.670 1.561 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.502 1.490 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.062 1.941 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.855 3.739 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.250 4.208 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.813 5.254 1.456 1.00 0.00 H new ATOM 1460 N ALA A 90 1.468 6.603 -3.155 1.00 0.00 N ATOM 1461 CA ALA A 90 2.421 7.461 -3.844 1.00 0.00 C ATOM 1462 C ALA A 90 1.712 8.642 -4.499 1.00 0.00 C ATOM 1463 O ALA A 90 2.204 9.210 -5.473 1.00 0.00 O ATOM 1464 CB ALA A 90 3.195 6.663 -4.883 1.00 0.00 C ATOM 0 H ALA A 90 0.805 6.131 -3.770 1.00 0.00 H new ATOM 0 HA ALA A 90 3.124 7.852 -3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.904 7.317 -5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.735 5.854 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.501 6.245 -5.612 1.00 0.00 H new ATOM 1470 N GLU A 91 0.552 9.007 -3.957 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.223 10.121 -4.490 1.00 0.00 C ATOM 1472 C GLU A 91 0.198 11.433 -3.840 1.00 0.00 C ATOM 1473 O GLU A 91 0.497 12.411 -4.525 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.719 9.883 -4.269 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.541 9.953 -5.545 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.834 9.167 -5.449 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.714 9.564 -4.657 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -3.967 8.154 -6.168 1.00 0.00 O ATOM 0 H GLU A 91 0.130 8.547 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.029 10.188 -5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.859 8.904 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.096 10.623 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.769 10.995 -5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.948 9.571 -6.376 1.00 0.00 H new ATOM 1485 N ASN A 92 0.219 11.446 -2.512 1.00 0.00 N ATOM 1486 CA ASN A 92 0.603 12.638 -1.768 1.00 0.00 C ATOM 1487 C ASN A 92 2.015 12.500 -1.208 1.00 0.00 C ATOM 1488 O ASN A 92 2.722 13.492 -1.030 1.00 0.00 O ATOM 1489 CB ASN A 92 -0.388 12.896 -0.630 1.00 0.00 C ATOM 1490 CG ASN A 92 -1.818 13.001 -1.121 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -2.066 13.335 -2.280 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -2.769 12.718 -0.239 1.00 0.00 N ATOM 0 H ASN A 92 -0.025 10.645 -1.930 1.00 0.00 H new ATOM 0 HA ASN A 92 0.586 13.485 -2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.316 12.090 0.100 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.115 13.818 -0.116 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.750 12.773 -0.512 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.518 12.445 0.711 1.00 0.00 H new ATOM 1499 N GLY A 93 2.418 11.264 -0.930 1.00 0.00 N ATOM 1500 CA GLY A 93 3.743 11.019 -0.392 1.00 0.00 C ATOM 1501 C GLY A 93 3.703 10.267 0.922 1.00 0.00 C ATOM 1502 O GLY A 93 4.383 10.638 1.879 1.00 0.00 O ATOM 0 H GLY A 93 1.850 10.428 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.326 10.450 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.255 11.970 -0.248 1.00 0.00 H new ATOM 1506 N ARG A 94 2.904 9.206 0.970 1.00 0.00 N ATOM 1507 CA ARG A 94 2.777 8.399 2.178 1.00 0.00 C ATOM 1508 C ARG A 94 3.740 7.214 2.156 1.00 0.00 C ATOM 1509 O ARG A 94 3.586 6.266 2.925 1.00 0.00 O ATOM 1510 CB ARG A 94 1.340 7.899 2.331 1.00 0.00 C ATOM 1511 CG ARG A 94 1.089 7.153 3.632 1.00 0.00 C ATOM 1512 CD ARG A 94 -0.280 7.477 4.206 1.00 0.00 C ATOM 1513 NE ARG A 94 -0.501 8.916 4.321 1.00 0.00 N ATOM 1514 CZ ARG A 94 -0.001 9.666 5.301 1.00 0.00 C ATOM 1515 NH1 ARG A 94 0.745 9.118 6.252 1.00 0.00 N ATOM 1516 NH2 ARG A 94 -0.249 10.969 5.331 1.00 0.00 N ATOM 0 H ARG A 94 2.335 8.885 0.187 1.00 0.00 H new ATOM 0 HA ARG A 94 3.032 9.029 3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.660 8.749 2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.102 7.243 1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.167 6.080 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.860 7.415 4.357 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.051 7.042 3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.379 7.016 5.189 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.071 9.373 3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.938 8.117 6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.125 9.698 7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.823 11.396 4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.134 11.544 6.082 1.00 0.00 H new ATOM 1530 N LEU A 95 4.739 7.273 1.277 1.00 0.00 N ATOM 1531 CA LEU A 95 5.722 6.202 1.172 1.00 0.00 C ATOM 1532 C LEU A 95 6.867 6.428 2.154 1.00 0.00 C ATOM 1533 O LEU A 95 8.027 6.555 1.763 1.00 0.00 O ATOM 1534 CB LEU A 95 6.259 6.105 -0.258 1.00 0.00 C ATOM 1535 CG LEU A 95 5.258 5.584 -1.291 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.796 5.776 -2.700 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.940 4.119 -1.033 1.00 0.00 C ATOM 0 H LEU A 95 4.887 8.048 0.631 1.00 0.00 H new ATOM 0 HA LEU A 95 5.232 5.261 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.599 7.092 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.132 5.452 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 95 4.336 6.157 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.070 5.400 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.971 6.836 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.733 5.230 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.226 3.765 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.855 3.531 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.510 4.010 -0.037 1.00 0.00 H new ATOM 1549 N THR A 96 6.519 6.471 3.431 1.00 0.00 N ATOM 1550 CA THR A 96 7.492 6.673 4.497 1.00 0.00 C ATOM 1551 C THR A 96 7.106 5.840 5.711 1.00 0.00 C ATOM 1552 O THR A 96 7.947 5.181 6.324 1.00 0.00 O ATOM 1553 CB THR A 96 7.573 8.152 4.875 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.325 8.616 5.357 1.00 0.00 O ATOM 1555 CG2 THR A 96 7.980 9.044 3.722 1.00 0.00 C ATOM 0 H THR A 96 5.558 6.367 3.758 1.00 0.00 H new ATOM 0 HA THR A 96 8.473 6.355 4.143 1.00 0.00 H new ATOM 0 HB THR A 96 8.341 8.210 5.647 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.398 9.564 5.595 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.018 10.080 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.963 8.744 3.359 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.252 8.951 2.916 1.00 0.00 H new ATOM 1563 N ASN A 97 5.819 5.864 6.038 1.00 0.00 N ATOM 1564 CA ASN A 97 5.294 5.101 7.160 1.00 0.00 C ATOM 1565 C ASN A 97 4.404 3.965 6.660 1.00 0.00 C ATOM 1566 O ASN A 97 3.647 3.372 7.430 1.00 0.00 O ATOM 1567 CB ASN A 97 4.502 6.014 8.099 1.00 0.00 C ATOM 1568 CG ASN A 97 5.401 6.894 8.944 1.00 0.00 C ATOM 1569 OD1 ASN A 97 5.833 6.501 10.027 1.00 0.00 O ATOM 1570 ND2 ASN A 97 5.686 8.095 8.452 1.00 0.00 N ATOM 0 H ASN A 97 5.117 6.408 5.537 1.00 0.00 H new ATOM 0 HA ASN A 97 6.132 4.673 7.710 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.832 6.642 7.511 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.877 5.405 8.752 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.285 8.732 8.977 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.306 8.380 7.549 1.00 0.00 H new ATOM 1577 N THR A 98 4.498 3.672 5.361 1.00 0.00 N ATOM 1578 CA THR A 98 3.705 2.613 4.743 1.00 0.00 C ATOM 1579 C THR A 98 3.669 1.352 5.607 1.00 0.00 C ATOM 1580 O THR A 98 2.595 0.887 5.988 1.00 0.00 O ATOM 1581 CB THR A 98 4.261 2.281 3.358 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.063 3.343 2.870 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.184 2.014 2.332 1.00 0.00 C ATOM 0 H THR A 98 5.120 4.158 4.715 1.00 0.00 H new ATOM 0 HA THR A 98 2.683 2.979 4.648 1.00 0.00 H new ATOM 0 HB THR A 98 4.848 1.373 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.975 3.249 3.215 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.645 1.785 1.371 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.577 1.168 2.654 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.552 2.896 2.230 1.00 0.00 H new ATOM 1591 N PRO A 99 4.842 0.775 5.934 1.00 0.00 N ATOM 1592 CA PRO A 99 4.922 -0.433 6.758 1.00 0.00 C ATOM 1593 C PRO A 99 4.066 -0.328 8.016 1.00 0.00 C ATOM 1594 O PRO A 99 3.599 -1.336 8.548 1.00 0.00 O ATOM 1595 CB PRO A 99 6.413 -0.541 7.123 1.00 0.00 C ATOM 1596 CG PRO A 99 7.042 0.731 6.651 1.00 0.00 C ATOM 1597 CD PRO A 99 6.176 1.243 5.538 1.00 0.00 C ATOM 0 HA PRO A 99 4.547 -1.308 6.227 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.544 -0.667 8.198 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.871 -1.405 6.643 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.104 1.458 7.461 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.060 0.555 6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.218 2.329 5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.477 0.840 4.571 1.00 0.00 H new ATOM 1605 N ALA A 100 3.857 0.898 8.482 1.00 0.00 N ATOM 1606 CA ALA A 100 3.048 1.135 9.671 1.00 0.00 C ATOM 1607 C ALA A 100 1.566 0.974 9.351 1.00 0.00 C ATOM 1608 O ALA A 100 0.779 0.547 10.196 1.00 0.00 O ATOM 1609 CB ALA A 100 3.325 2.521 10.231 1.00 0.00 C ATOM 0 H ALA A 100 4.237 1.743 8.055 1.00 0.00 H new ATOM 0 HA ALA A 100 3.318 0.396 10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.714 2.684 11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.379 2.602 10.496 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.081 3.272 9.480 1.00 0.00 H new ATOM 1615 N VAL A 101 1.195 1.311 8.120 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.189 1.199 7.679 1.00 0.00 C ATOM 1617 C VAL A 101 -0.604 -0.264 7.557 1.00 0.00 C ATOM 1618 O VAL A 101 -1.777 -0.602 7.715 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.404 1.898 6.322 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.872 1.862 5.923 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.106 3.331 6.374 1.00 0.00 C ATOM 0 H VAL A 101 1.836 1.665 7.409 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.806 1.690 8.432 1.00 0.00 H new ATOM 0 HB VAL A 101 0.165 1.359 5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.000 2.361 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.201 0.826 5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.467 2.373 6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.054 3.809 5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.433 3.881 7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.171 3.330 6.607 1.00 0.00 H new ATOM 1631 N ILE A 102 0.368 -1.127 7.275 1.00 0.00 N ATOM 1632 CA ILE A 102 0.104 -2.554 7.133 1.00 0.00 C ATOM 1633 C ILE A 102 -0.326 -3.166 8.462 1.00 0.00 C ATOM 1634 O ILE A 102 -1.136 -4.091 8.496 1.00 0.00 O ATOM 1635 CB ILE A 102 1.342 -3.307 6.609 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.896 -2.619 5.360 1.00 0.00 C ATOM 1637 CG2 ILE A 102 0.993 -4.758 6.311 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.121 -3.300 4.790 1.00 0.00 C ATOM 0 H ILE A 102 1.344 -0.863 7.141 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.705 -2.656 6.409 1.00 0.00 H new ATOM 0 HB ILE A 102 2.112 -3.290 7.381 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.119 -2.588 4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.144 -1.586 5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.878 -5.277 5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.642 -5.242 7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.209 -4.796 5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.460 -2.759 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.914 -3.307 5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.873 -4.325 4.515 1.00 0.00 H new ATOM 1650 N SER A 103 0.222 -2.642 9.555 1.00 0.00 N ATOM 1651 CA SER A 103 -0.109 -3.138 10.887 1.00 0.00 C ATOM 1652 C SER A 103 -1.609 -3.050 11.140 1.00 0.00 C ATOM 1653 O SER A 103 -2.223 -3.999 11.626 1.00 0.00 O ATOM 1654 CB SER A 103 0.649 -2.347 11.954 1.00 0.00 C ATOM 1655 OG SER A 103 0.813 -3.111 13.136 1.00 0.00 O ATOM 0 H SER A 103 0.895 -1.876 9.545 1.00 0.00 H new ATOM 0 HA SER A 103 0.191 -4.185 10.943 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.626 -2.054 11.568 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.108 -1.429 12.183 1.00 0.00 H new ATOM 0 HG SER A 103 1.302 -2.583 13.801 1.00 0.00 H new ATOM 1661 N ALA A 104 -2.195 -1.906 10.801 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.625 -1.701 10.986 1.00 0.00 C ATOM 1663 C ALA A 104 -4.423 -2.738 10.203 1.00 0.00 C ATOM 1664 O ALA A 104 -5.503 -3.152 10.620 1.00 0.00 O ATOM 1665 CB ALA A 104 -4.018 -0.295 10.558 1.00 0.00 C ATOM 0 H ALA A 104 -1.702 -1.109 10.398 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.855 -1.820 12.045 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.090 -0.157 10.702 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.474 0.434 11.159 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.772 -0.153 9.506 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.876 -3.156 9.065 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.529 -4.150 8.221 1.00 0.00 C ATOM 1673 C PHE A 105 -4.726 -5.458 8.976 1.00 0.00 C ATOM 1674 O PHE A 105 -5.667 -6.203 8.708 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.698 -4.404 6.962 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.521 -4.718 5.744 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.941 -6.014 5.482 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.872 -3.714 4.856 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.692 -6.299 4.360 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.622 -3.995 3.734 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.032 -5.289 3.486 1.00 0.00 C ATOM 0 H PHE A 105 -2.982 -2.821 8.707 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.506 -3.761 7.936 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.086 -3.525 6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.014 -5.232 7.150 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.677 -6.809 6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.554 -2.699 5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.013 -7.312 4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.888 -3.203 3.050 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.619 -5.510 2.607 1.00 0.00 H new ATOM 1691 N SER A 106 -3.827 -5.739 9.914 1.00 0.00 N ATOM 1692 CA SER A 106 -3.904 -6.969 10.693 1.00 0.00 C ATOM 1693 C SER A 106 -4.866 -6.835 11.868 1.00 0.00 C ATOM 1694 O SER A 106 -5.344 -7.837 12.401 1.00 0.00 O ATOM 1695 CB SER A 106 -2.516 -7.375 11.192 1.00 0.00 C ATOM 1696 OG SER A 106 -2.523 -8.701 11.694 1.00 0.00 O ATOM 0 H SER A 106 -3.041 -5.135 10.152 1.00 0.00 H new ATOM 0 HA SER A 106 -4.289 -7.748 10.035 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.795 -7.295 10.378 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.192 -6.688 11.974 1.00 0.00 H new ATOM 0 HG SER A 106 -1.624 -8.938 12.005 1.00 0.00 H new ATOM 1702 N THR A 107 -5.159 -5.604 12.264 1.00 0.00 N ATOM 1703 CA THR A 107 -6.081 -5.370 13.366 1.00 0.00 C ATOM 1704 C THR A 107 -7.463 -5.043 12.829 1.00 0.00 C ATOM 1705 O THR A 107 -8.475 -5.367 13.450 1.00 0.00 O ATOM 1706 CB THR A 107 -5.576 -4.241 14.266 1.00 0.00 C ATOM 1707 OG1 THR A 107 -4.264 -4.514 14.724 1.00 0.00 O ATOM 1708 CG2 THR A 107 -6.448 -4.010 15.481 1.00 0.00 C ATOM 0 H THR A 107 -4.775 -4.758 11.842 1.00 0.00 H new ATOM 0 HA THR A 107 -6.142 -6.279 13.965 1.00 0.00 H new ATOM 0 HB THR A 107 -5.599 -3.345 13.646 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.958 -3.780 15.297 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.034 -3.196 16.077 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.456 -3.748 15.161 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.483 -4.919 16.082 1.00 0.00 H new ATOM 1716 N MET A 108 -7.500 -4.423 11.658 1.00 0.00 N ATOM 1717 CA MET A 108 -8.760 -4.085 11.028 1.00 0.00 C ATOM 1718 C MET A 108 -9.323 -5.307 10.321 1.00 0.00 C ATOM 1719 O MET A 108 -10.533 -5.421 10.132 1.00 0.00 O ATOM 1720 CB MET A 108 -8.573 -2.936 10.042 1.00 0.00 C ATOM 1721 CG MET A 108 -8.107 -1.646 10.698 1.00 0.00 C ATOM 1722 SD MET A 108 -9.298 -1.006 11.893 1.00 0.00 S ATOM 1723 CE MET A 108 -8.281 0.167 12.788 1.00 0.00 C ATOM 0 H MET A 108 -6.673 -4.146 11.130 1.00 0.00 H new ATOM 0 HA MET A 108 -9.465 -3.763 11.795 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.848 -3.232 9.284 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.516 -2.753 9.526 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.154 -1.820 11.198 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.930 -0.895 9.928 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.877 0.647 13.564 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.441 -0.355 13.246 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.906 0.923 12.099 1.00 0.00 H new ATOM 1733 N MET A 109 -8.440 -6.236 9.945 1.00 0.00 N ATOM 1734 CA MET A 109 -8.876 -7.451 9.283 1.00 0.00 C ATOM 1735 C MET A 109 -9.781 -8.247 10.211 1.00 0.00 C ATOM 1736 O MET A 109 -10.750 -8.867 9.772 1.00 0.00 O ATOM 1737 CB MET A 109 -7.676 -8.307 8.874 1.00 0.00 C ATOM 1738 CG MET A 109 -6.757 -8.656 10.030 1.00 0.00 C ATOM 1739 SD MET A 109 -7.246 -10.172 10.874 1.00 0.00 S ATOM 1740 CE MET A 109 -6.661 -11.407 9.717 1.00 0.00 C ATOM 0 H MET A 109 -7.433 -6.165 10.089 1.00 0.00 H new ATOM 0 HA MET A 109 -9.427 -7.175 8.384 1.00 0.00 H new ATOM 0 HB2 MET A 109 -8.037 -9.228 8.416 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.104 -7.776 8.113 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.738 -8.764 9.659 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.750 -7.833 10.745 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.711 -12.392 10.180 1.00 0.00 H new ATOM 0 HE2 MET A 109 -7.286 -11.394 8.824 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.629 -11.188 9.441 1.00 0.00 H new ATOM 1750 N SER A 110 -9.464 -8.217 11.507 1.00 0.00 N ATOM 1751 CA SER A 110 -10.259 -8.930 12.499 1.00 0.00 C ATOM 1752 C SER A 110 -11.717 -8.480 12.444 1.00 0.00 C ATOM 1753 O SER A 110 -12.617 -9.203 12.873 1.00 0.00 O ATOM 1754 CB SER A 110 -9.693 -8.699 13.901 1.00 0.00 C ATOM 1755 OG SER A 110 -8.710 -9.668 14.222 1.00 0.00 O ATOM 0 H SER A 110 -8.666 -7.709 11.889 1.00 0.00 H new ATOM 0 HA SER A 110 -10.214 -9.995 12.271 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.257 -7.702 13.961 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.500 -8.739 14.633 1.00 0.00 H new ATOM 0 HG SER A 110 -8.219 -9.916 13.411 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.941 -7.280 11.914 1.00 0.00 N ATOM 1762 CA VAL A 111 -13.283 -6.729 11.799 1.00 0.00 C ATOM 1763 C VAL A 111 -14.036 -7.352 10.623 1.00 0.00 C ATOM 1764 O VAL A 111 -15.218 -7.675 10.736 1.00 0.00 O ATOM 1765 CB VAL A 111 -13.240 -5.194 11.634 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -14.633 -4.632 11.385 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.614 -4.549 12.862 1.00 0.00 C ATOM 0 H VAL A 111 -11.205 -6.671 11.557 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.812 -6.969 12.721 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.625 -4.961 10.765 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.574 -3.549 11.273 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -15.045 -5.069 10.475 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.279 -4.874 12.229 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.590 -3.467 12.732 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.205 -4.796 13.744 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.598 -4.922 12.991 1.00 0.00 H new ATOM 1777 N HIS A 112 -13.347 -7.523 9.497 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.964 -8.114 8.312 1.00 0.00 C ATOM 1779 C HIS A 112 -14.119 -9.622 8.479 1.00 0.00 C ATOM 1780 O HIS A 112 -15.054 -10.224 7.952 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.141 -7.794 7.057 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.924 -8.650 6.884 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -10.646 -8.151 6.946 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -11.793 -9.978 6.662 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -9.781 -9.135 6.777 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -10.452 -10.254 6.604 1.00 0.00 N ATOM 0 H HIS A 112 -12.368 -7.263 9.380 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.956 -7.679 8.193 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.778 -7.907 6.180 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.834 -6.749 7.095 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.598 -10.690 6.551 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.705 -9.038 6.780 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -10.041 -11.175 6.452 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.193 -10.226 9.219 1.00 0.00 N ATOM 1796 CA ARG A 113 -13.223 -11.663 9.458 1.00 0.00 C ATOM 1797 C ARG A 113 -14.225 -12.011 10.555 1.00 0.00 C ATOM 1798 O ARG A 113 -14.774 -13.112 10.581 1.00 0.00 O ATOM 1799 CB ARG A 113 -11.831 -12.165 9.845 1.00 0.00 C ATOM 1800 CG ARG A 113 -11.511 -13.548 9.300 1.00 0.00 C ATOM 1801 CD ARG A 113 -10.574 -14.308 10.225 1.00 0.00 C ATOM 1802 NE ARG A 113 -10.360 -15.683 9.778 1.00 0.00 N ATOM 1803 CZ ARG A 113 -9.344 -16.443 10.182 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -8.451 -15.968 11.041 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -9.225 -17.683 9.727 1.00 0.00 N ATOM 0 H ARG A 113 -12.413 -9.741 9.663 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.536 -12.154 8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.085 -11.458 9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.750 -12.184 10.932 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -12.435 -14.112 9.172 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.055 -13.455 8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.616 -13.790 10.276 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.987 -14.315 11.234 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.027 -16.083 9.119 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.541 -15.016 11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.675 -16.555 11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.911 -18.053 9.069 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.447 -18.267 10.035 1.00 0.00 H new