USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=30 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 106 SER OG : rot 180:sc= -1.85 USER MOD Set 1.2: A 109 MET CE :methyl 178:sc= -4.28! (180deg=-2.7!) USER MOD Set 2.1: A 96 THR OG1 : rot 85:sc= 0.491 USER MOD Set 2.2: A 97 ASN :FLIP amide:sc= 0.494 F(o=0.25,f=0.98) USER MOD Set 3.1: A 65 LYS NZ :NH3+ 158:sc= 0.292 (180deg=0.101) USER MOD Set 3.2: A 68 SER OG : rot -12:sc= -0.489 USER MOD Set 4.1: A 23 TYR OH : rot 152:sc= -1.34! USER MOD Set 4.2: A 112 HIS :FLIP no HE2:sc= -16.6! C(o=-19!,f=-18!) USER MOD Set 5.1: A 18 TYR OH : rot 97:sc= 0.0129 USER MOD Set 5.2: A 92 ASN : amide:sc= 0.00951 X(o=0.022,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 24 SER OG : rot -78:sc= -1.09 USER MOD Single : A 27 SER OG : rot -91:sc= 0.755 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00604 K(o=-0.006,f=-1.2) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -3.33! C(o=-3.3!,f=-3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 149:sc= -4.16 (180deg=-7.71!) USER MOD Single : A 54 SER OG : rot 80:sc= 0.113 USER MOD Single : A 57 ASN :FLIP amide:sc= -1.2 F(o=-2.1,f=-1.2) 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+ -175:sc= -0.438 (180deg=-0.516) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -154:sc= -3.58! (180deg=-5.57!) USER MOD Single : A 73 THR OG1 : rot 91:sc= -0.49 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.683) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -90:sc= -1.39 USER MOD Single : A 83 SER OG : rot -160:sc= -2.2! USER MOD Single : A 84 ASN : amide:sc= -0.0318 K(o=-0.032,f=-1.5!) USER MOD Single : A 87 ASN : amide:sc=-3.66e-05 K(o=-3.7e-05,f=-1.4) USER MOD Single : A 98 THR OG1 : rot -48:sc= -2.17! USER MOD Single : A 103 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 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -1.877 3.823 14.983 1.00 0.00 N ATOM 194 CA TYR A 12 -2.245 5.153 15.457 1.00 0.00 C ATOM 195 C TYR A 12 -3.724 5.435 15.210 1.00 0.00 C ATOM 196 O TYR A 12 -4.515 5.512 16.151 1.00 0.00 O ATOM 197 CB TYR A 12 -1.376 6.206 14.753 1.00 0.00 C ATOM 198 CG TYR A 12 -0.063 5.647 14.237 1.00 0.00 C ATOM 199 CD1 TYR A 12 -0.049 4.609 13.313 1.00 0.00 C ATOM 200 CD2 TYR A 12 1.154 6.128 14.700 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.133 4.067 12.864 1.00 0.00 C ATOM 202 CE2 TYR A 12 2.348 5.595 14.248 1.00 0.00 C ATOM 203 CZ TYR A 12 2.332 4.563 13.331 1.00 0.00 C ATOM 204 OH TYR A 12 3.517 4.024 12.887 1.00 0.00 O ATOM 0 HA TYR A 12 -2.073 5.200 16.532 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.935 6.631 13.920 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.169 7.021 15.447 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.985 4.220 12.940 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.169 6.930 15.423 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.122 3.257 12.149 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.288 5.984 14.611 1.00 0.00 H new ATOM 0 HH TYR A 12 4.268 4.488 13.313 1.00 0.00 H new ATOM 214 N GLY A 13 -4.093 5.585 13.942 1.00 0.00 N ATOM 215 CA GLY A 13 -5.479 5.854 13.605 1.00 0.00 C ATOM 216 C GLY A 13 -5.652 6.352 12.184 1.00 0.00 C ATOM 217 O GLY A 13 -6.088 5.606 11.308 1.00 0.00 O ATOM 0 H GLY A 13 -3.460 5.525 13.144 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.064 4.944 13.740 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.879 6.596 14.296 1.00 0.00 H new ATOM 221 N ILE A 14 -5.314 7.618 11.953 1.00 0.00 N ATOM 222 CA ILE A 14 -5.442 8.211 10.627 1.00 0.00 C ATOM 223 C ILE A 14 -4.676 7.402 9.585 1.00 0.00 C ATOM 224 O ILE A 14 -5.194 7.114 8.507 1.00 0.00 O ATOM 225 CB ILE A 14 -4.940 9.670 10.610 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.175 10.302 9.236 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.466 9.733 10.983 1.00 0.00 C ATOM 228 CD1 ILE A 14 -6.617 10.241 8.780 1.00 0.00 C ATOM 0 H ILE A 14 -4.950 8.251 12.666 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.503 8.201 10.377 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.505 10.237 11.350 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.856 11.344 9.265 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.548 9.797 8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.130 10.770 10.965 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.326 9.323 11.983 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.885 9.151 10.268 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.708 10.707 7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.935 9.200 8.718 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.247 10.771 9.494 1.00 0.00 H new ATOM 240 N GLU A 15 -3.443 7.034 9.914 1.00 0.00 N ATOM 241 CA GLU A 15 -2.617 6.254 9.003 1.00 0.00 C ATOM 242 C GLU A 15 -3.109 4.813 8.939 1.00 0.00 C ATOM 243 O GLU A 15 -3.004 4.155 7.905 1.00 0.00 O ATOM 244 CB GLU A 15 -1.151 6.294 9.441 1.00 0.00 C ATOM 245 CG GLU A 15 -0.336 7.361 8.727 1.00 0.00 C ATOM 246 CD GLU A 15 0.517 8.177 9.678 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.288 7.573 10.453 1.00 0.00 O ATOM 248 OE2 GLU A 15 0.415 9.422 9.649 1.00 0.00 O ATOM 0 H GLU A 15 -2.995 7.263 10.802 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.695 6.693 8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.105 6.471 10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.698 5.319 9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.306 6.886 7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.009 8.026 8.187 1.00 0.00 H new ATOM 255 N GLY A 16 -3.657 4.333 10.051 1.00 0.00 N ATOM 256 CA GLY A 16 -4.170 2.978 10.095 1.00 0.00 C ATOM 257 C GLY A 16 -5.518 2.859 9.415 1.00 0.00 C ATOM 258 O GLY A 16 -5.908 1.777 8.978 1.00 0.00 O ATOM 0 H GLY A 16 -3.754 4.858 10.920 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.460 2.306 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.258 2.657 11.133 1.00 0.00 H new ATOM 262 N ARG A 17 -6.232 3.978 9.323 1.00 0.00 N ATOM 263 CA ARG A 17 -7.543 3.997 8.688 1.00 0.00 C ATOM 264 C ARG A 17 -7.405 3.968 7.172 1.00 0.00 C ATOM 265 O ARG A 17 -8.270 3.442 6.478 1.00 0.00 O ATOM 266 CB ARG A 17 -8.330 5.234 9.122 1.00 0.00 C ATOM 267 CG ARG A 17 -9.112 5.036 10.410 1.00 0.00 C ATOM 268 CD ARG A 17 -10.113 6.159 10.632 1.00 0.00 C ATOM 269 NE ARG A 17 -10.990 6.346 9.478 1.00 0.00 N ATOM 270 CZ ARG A 17 -11.724 7.438 9.274 1.00 0.00 C ATOM 271 NH1 ARG A 17 -11.689 8.441 10.142 1.00 0.00 N ATOM 272 NH2 ARG A 17 -12.494 7.527 8.199 1.00 0.00 N ATOM 0 H ARG A 17 -5.923 4.882 9.681 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.088 3.107 9.004 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.639 6.067 9.251 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.021 5.513 8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.637 4.081 10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.422 4.990 11.253 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.715 5.939 11.513 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.578 7.087 10.835 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.043 5.596 8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.098 8.378 10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.253 9.275 9.981 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.524 6.759 7.528 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.056 8.363 8.042 1.00 0.00 H new ATOM 286 N TYR A 18 -6.312 4.526 6.659 1.00 0.00 N ATOM 287 CA TYR A 18 -6.073 4.543 5.220 1.00 0.00 C ATOM 288 C TYR A 18 -6.266 3.154 4.635 1.00 0.00 C ATOM 289 O TYR A 18 -6.890 2.985 3.587 1.00 0.00 O ATOM 290 CB TYR A 18 -4.655 5.034 4.924 1.00 0.00 C ATOM 291 CG TYR A 18 -4.599 6.417 4.324 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.911 7.533 5.083 1.00 0.00 C ATOM 293 CD2 TYR A 18 -4.229 6.604 2.998 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.859 8.800 4.542 1.00 0.00 C ATOM 295 CE2 TYR A 18 -4.171 7.869 2.446 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.488 8.964 3.223 1.00 0.00 C ATOM 297 OH TYR A 18 -4.433 10.228 2.678 1.00 0.00 O ATOM 0 H TYR A 18 -5.582 4.970 7.215 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.789 5.224 4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.078 5.026 5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.173 4.333 4.242 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.200 7.408 6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.983 5.747 2.389 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.107 9.659 5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.880 8.000 1.414 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.510 10.557 2.708 1.00 0.00 H new ATOM 307 N ALA A 19 -5.729 2.163 5.329 1.00 0.00 N ATOM 308 CA ALA A 19 -5.842 0.784 4.893 1.00 0.00 C ATOM 309 C ALA A 19 -7.262 0.277 5.086 1.00 0.00 C ATOM 310 O ALA A 19 -7.832 -0.350 4.196 1.00 0.00 O ATOM 311 CB ALA A 19 -4.853 -0.090 5.650 1.00 0.00 C ATOM 0 H ALA A 19 -5.210 2.290 6.198 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.605 0.735 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.948 -1.122 5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.839 0.261 5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.063 -0.036 6.718 1.00 0.00 H new ATOM 317 N THR A 20 -7.834 0.557 6.250 1.00 0.00 N ATOM 318 CA THR A 20 -9.191 0.123 6.540 1.00 0.00 C ATOM 319 C THR A 20 -10.216 0.934 5.760 1.00 0.00 C ATOM 320 O THR A 20 -11.374 0.537 5.656 1.00 0.00 O ATOM 321 CB THR A 20 -9.476 0.196 8.038 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.481 0.949 8.708 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.530 -1.171 8.681 1.00 0.00 C ATOM 0 H THR A 20 -7.383 1.078 7.002 1.00 0.00 H new ATOM 0 HA THR A 20 -9.278 -0.916 6.222 1.00 0.00 H new ATOM 0 HB THR A 20 -10.450 0.676 8.133 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.686 0.983 9.666 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.735 -1.064 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.320 -1.761 8.216 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.573 -1.675 8.545 1.00 0.00 H new ATOM 331 N ALA A 21 -9.791 2.062 5.196 1.00 0.00 N ATOM 332 CA ALA A 21 -10.695 2.888 4.415 1.00 0.00 C ATOM 333 C ALA A 21 -10.523 2.619 2.928 1.00 0.00 C ATOM 334 O ALA A 21 -11.247 3.169 2.098 1.00 0.00 O ATOM 335 CB ALA A 21 -10.488 4.362 4.728 1.00 0.00 C ATOM 0 H ALA A 21 -8.838 2.418 5.266 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.717 2.626 4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.176 4.961 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.677 4.539 5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.462 4.644 4.491 1.00 0.00 H new ATOM 341 N LEU A 22 -9.584 1.739 2.601 1.00 0.00 N ATOM 342 CA LEU A 22 -9.346 1.362 1.217 1.00 0.00 C ATOM 343 C LEU A 22 -9.632 -0.109 1.076 1.00 0.00 C ATOM 344 O LEU A 22 -10.283 -0.545 0.126 1.00 0.00 O ATOM 345 CB LEU A 22 -7.912 1.674 0.794 1.00 0.00 C ATOM 346 CG LEU A 22 -7.609 1.405 -0.679 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.554 2.372 -1.192 1.00 0.00 C ATOM 348 CD2 LEU A 22 -7.163 -0.036 -0.874 1.00 0.00 C ATOM 0 H LEU A 22 -8.977 1.275 3.276 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.002 1.938 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.704 2.722 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.230 1.083 1.405 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.521 1.561 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.351 2.165 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.916 3.395 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.637 2.250 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.951 -0.212 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.263 -0.221 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.955 -0.709 -0.546 1.00 0.00 H new ATOM 360 N TYR A 23 -9.179 -0.868 2.056 1.00 0.00 N ATOM 361 CA TYR A 23 -9.424 -2.279 2.073 1.00 0.00 C ATOM 362 C TYR A 23 -10.866 -2.528 2.507 1.00 0.00 C ATOM 363 O TYR A 23 -11.413 -3.596 2.251 1.00 0.00 O ATOM 364 CB TYR A 23 -8.418 -2.983 2.987 1.00 0.00 C ATOM 365 CG TYR A 23 -9.027 -3.691 4.171 1.00 0.00 C ATOM 366 CD1 TYR A 23 -9.758 -4.848 3.987 1.00 0.00 C ATOM 367 CD2 TYR A 23 -8.877 -3.205 5.460 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.332 -5.510 5.048 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.442 -3.853 6.531 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.174 -5.006 6.325 1.00 0.00 C ATOM 371 OH TYR A 23 -10.740 -5.657 7.396 1.00 0.00 O ATOM 0 H TYR A 23 -8.639 -0.520 2.848 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.290 -2.695 1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.858 -3.708 2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.702 -2.246 3.351 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.882 -5.242 2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.307 -2.303 5.625 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -10.900 -6.414 4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.314 -3.463 7.530 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.215 -5.476 8.203 1.00 0.00 H new ATOM 381 N SER A 24 -11.500 -1.525 3.139 1.00 0.00 N ATOM 382 CA SER A 24 -12.888 -1.668 3.555 1.00 0.00 C ATOM 383 C SER A 24 -13.716 -2.120 2.362 1.00 0.00 C ATOM 384 O SER A 24 -14.603 -2.965 2.483 1.00 0.00 O ATOM 385 CB SER A 24 -13.430 -0.352 4.112 1.00 0.00 C ATOM 386 OG SER A 24 -12.724 0.757 3.581 1.00 0.00 O ATOM 0 H SER A 24 -11.075 -0.626 3.365 1.00 0.00 H new ATOM 0 HA SER A 24 -12.949 -2.413 4.349 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.489 -0.261 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.348 -0.352 5.199 1.00 0.00 H new ATOM 0 HG SER A 24 -11.861 0.844 4.037 1.00 0.00 H new ATOM 392 N ALA A 25 -13.375 -1.578 1.195 1.00 0.00 N ATOM 393 CA ALA A 25 -14.039 -1.951 -0.041 1.00 0.00 C ATOM 394 C ALA A 25 -13.579 -3.342 -0.435 1.00 0.00 C ATOM 395 O ALA A 25 -14.363 -4.164 -0.912 1.00 0.00 O ATOM 396 CB ALA A 25 -13.730 -0.948 -1.142 1.00 0.00 C ATOM 0 H ALA A 25 -12.641 -0.878 1.085 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.119 -1.950 0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.237 -1.247 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.076 0.041 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.654 -0.918 -1.316 1.00 0.00 H new ATOM 402 N ALA A 26 -12.297 -3.604 -0.198 1.00 0.00 N ATOM 403 CA ALA A 26 -11.717 -4.906 -0.493 1.00 0.00 C ATOM 404 C ALA A 26 -12.287 -5.969 0.443 1.00 0.00 C ATOM 405 O ALA A 26 -12.337 -7.150 0.102 1.00 0.00 O ATOM 406 CB ALA A 26 -10.201 -4.851 -0.374 1.00 0.00 C ATOM 0 H ALA A 26 -11.641 -2.930 0.198 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.974 -5.175 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.783 -5.832 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.807 -4.119 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.926 -4.562 0.640 1.00 0.00 H new ATOM 412 N SER A 27 -12.722 -5.535 1.625 1.00 0.00 N ATOM 413 CA SER A 27 -13.297 -6.438 2.612 1.00 0.00 C ATOM 414 C SER A 27 -14.657 -6.932 2.140 1.00 0.00 C ATOM 415 O SER A 27 -14.915 -8.134 2.108 1.00 0.00 O ATOM 416 CB SER A 27 -13.434 -5.733 3.965 1.00 0.00 C ATOM 417 OG SER A 27 -14.625 -4.967 4.024 1.00 0.00 O ATOM 0 H SER A 27 -12.685 -4.559 1.920 1.00 0.00 H new ATOM 0 HA SER A 27 -12.632 -7.293 2.730 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.434 -6.473 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.573 -5.085 4.130 1.00 0.00 H new ATOM 0 HG SER A 27 -14.441 -4.053 3.722 1.00 0.00 H new ATOM 423 N LYS A 28 -15.519 -5.992 1.754 1.00 0.00 N ATOM 424 CA LYS A 28 -16.846 -6.336 1.260 1.00 0.00 C ATOM 425 C LYS A 28 -16.732 -7.364 0.141 1.00 0.00 C ATOM 426 O LYS A 28 -17.619 -8.195 -0.051 1.00 0.00 O ATOM 427 CB LYS A 28 -17.569 -5.086 0.755 1.00 0.00 C ATOM 428 CG LYS A 28 -17.846 -4.062 1.843 1.00 0.00 C ATOM 429 CD LYS A 28 -18.140 -2.691 1.255 1.00 0.00 C ATOM 430 CE LYS A 28 -19.457 -2.679 0.498 1.00 0.00 C ATOM 431 NZ LYS A 28 -19.390 -1.828 -0.722 1.00 0.00 N ATOM 0 H LYS A 28 -15.321 -4.992 1.775 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.425 -6.763 2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.969 -4.620 -0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.513 -5.382 0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.693 -4.390 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.986 -3.996 2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.172 -1.951 2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.331 -2.401 0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.722 -3.698 0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.248 -2.313 1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.309 -1.847 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.162 -0.850 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.653 -2.192 -1.359 1.00 0.00 H new ATOM 445 N GLN A 29 -15.616 -7.307 -0.580 1.00 0.00 N ATOM 446 CA GLN A 29 -15.359 -8.237 -1.668 1.00 0.00 C ATOM 447 C GLN A 29 -14.672 -9.488 -1.134 1.00 0.00 C ATOM 448 O GLN A 29 -14.984 -10.602 -1.555 1.00 0.00 O ATOM 449 CB GLN A 29 -14.490 -7.578 -2.741 1.00 0.00 C ATOM 450 CG GLN A 29 -15.259 -6.636 -3.652 1.00 0.00 C ATOM 451 CD GLN A 29 -14.349 -5.819 -4.549 1.00 0.00 C ATOM 452 OE1 GLN A 29 -13.129 -5.983 -4.528 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.939 -4.934 -5.342 1.00 0.00 N ATOM 0 H GLN A 29 -14.875 -6.623 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 29 -16.311 -8.519 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.685 -7.025 -2.256 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.023 -8.355 -3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.947 -7.214 -4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.864 -5.963 -3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.954 -4.832 -5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.378 -4.356 -5.967 1.00 0.00 H new ATOM 462 N ASN A 30 -13.728 -9.289 -0.205 1.00 0.00 N ATOM 463 CA ASN A 30 -12.976 -10.387 0.402 1.00 0.00 C ATOM 464 C ASN A 30 -11.675 -10.603 -0.348 1.00 0.00 C ATOM 465 O ASN A 30 -11.166 -11.721 -0.430 1.00 0.00 O ATOM 466 CB ASN A 30 -13.790 -11.686 0.434 1.00 0.00 C ATOM 467 CG ASN A 30 -13.377 -12.599 1.571 1.00 0.00 C ATOM 468 OD1 ASN A 30 -13.515 -12.252 2.744 1.00 0.00 O ATOM 469 ND2 ASN A 30 -12.866 -13.776 1.229 1.00 0.00 N ATOM 0 H ASN A 30 -13.467 -8.366 0.143 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.758 -10.110 1.433 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.849 -11.446 0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.668 -12.212 -0.513 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.570 -14.433 1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.769 -14.023 0.244 1.00 0.00 H new ATOM 476 N LYS A 31 -11.140 -9.518 -0.892 1.00 0.00 N ATOM 477 CA LYS A 31 -9.896 -9.573 -1.634 1.00 0.00 C ATOM 478 C LYS A 31 -8.700 -9.344 -0.716 1.00 0.00 C ATOM 479 O LYS A 31 -7.585 -9.125 -1.186 1.00 0.00 O ATOM 480 CB LYS A 31 -9.904 -8.539 -2.760 1.00 0.00 C ATOM 481 CG LYS A 31 -10.365 -9.099 -4.096 1.00 0.00 C ATOM 482 CD LYS A 31 -9.196 -9.617 -4.918 1.00 0.00 C ATOM 483 CE LYS A 31 -9.469 -9.500 -6.409 1.00 0.00 C ATOM 484 NZ LYS A 31 -8.901 -10.647 -7.170 1.00 0.00 N ATOM 0 H LYS A 31 -11.553 -8.587 -0.831 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.805 -10.568 -2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.555 -7.712 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.900 -8.130 -2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.078 -9.906 -3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.889 -8.324 -4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.296 -9.056 -4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.004 -10.659 -4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.545 -9.449 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.043 -8.569 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.109 -10.529 -8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.871 -10.681 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.326 -11.533 -6.830 1.00 0.00 H new ATOM 498 N LEU A 32 -8.928 -9.401 0.599 1.00 0.00 N ATOM 499 CA LEU A 32 -7.855 -9.211 1.562 1.00 0.00 C ATOM 500 C LEU A 32 -6.679 -10.122 1.238 1.00 0.00 C ATOM 501 O LEU A 32 -5.539 -9.801 1.542 1.00 0.00 O ATOM 502 CB LEU A 32 -8.381 -9.472 2.969 1.00 0.00 C ATOM 503 CG LEU A 32 -9.130 -8.293 3.595 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.151 -7.375 4.314 1.00 0.00 C ATOM 505 CD2 LEU A 32 -9.922 -7.522 2.544 1.00 0.00 C ATOM 0 H LEU A 32 -9.843 -9.577 1.014 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.500 -8.182 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.046 -10.335 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.543 -9.737 3.613 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.842 -8.686 4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.693 -6.539 4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.640 -7.932 5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.418 -6.996 3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.443 -6.691 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.241 -7.137 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.649 -8.186 2.076 1.00 0.00 H new ATOM 517 N GLU A 33 -6.951 -11.243 0.584 1.00 0.00 N ATOM 518 CA GLU A 33 -5.881 -12.150 0.197 1.00 0.00 C ATOM 519 C GLU A 33 -5.093 -11.528 -0.948 1.00 0.00 C ATOM 520 O GLU A 33 -3.883 -11.719 -1.069 1.00 0.00 O ATOM 521 CB GLU A 33 -6.441 -13.513 -0.213 1.00 0.00 C ATOM 522 CG GLU A 33 -5.486 -14.667 0.046 1.00 0.00 C ATOM 523 CD GLU A 33 -6.194 -15.904 0.562 1.00 0.00 C ATOM 524 OE1 GLU A 33 -6.397 -16.004 1.790 1.00 0.00 O ATOM 525 OE2 GLU A 33 -6.544 -16.774 -0.263 1.00 0.00 O ATOM 0 H GLU A 33 -7.888 -11.542 0.314 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.221 -12.309 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.370 -13.693 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.690 -13.490 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.960 -14.912 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.733 -14.355 0.770 1.00 0.00 H new ATOM 532 N GLN A 34 -5.798 -10.754 -1.768 1.00 0.00 N ATOM 533 CA GLN A 34 -5.190 -10.057 -2.889 1.00 0.00 C ATOM 534 C GLN A 34 -4.960 -8.592 -2.535 1.00 0.00 C ATOM 535 O GLN A 34 -4.642 -7.778 -3.402 1.00 0.00 O ATOM 536 CB GLN A 34 -6.076 -10.168 -4.132 1.00 0.00 C ATOM 537 CG GLN A 34 -5.641 -11.266 -5.090 1.00 0.00 C ATOM 538 CD GLN A 34 -4.758 -10.749 -6.208 1.00 0.00 C ATOM 539 OE1 GLN A 34 -4.896 -11.160 -7.361 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.845 -9.844 -5.874 1.00 0.00 N ATOM 0 H GLN A 34 -6.801 -10.595 -1.672 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.228 -10.522 -3.106 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.104 -10.354 -3.821 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.071 -9.214 -4.659 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.105 -12.036 -4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.524 -11.739 -5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.766 -9.532 -4.906 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.223 -9.461 -6.586 1.00 0.00 H new ATOM 549 N VAL A 35 -5.124 -8.258 -1.254 1.00 0.00 N ATOM 550 CA VAL A 35 -4.933 -6.889 -0.805 1.00 0.00 C ATOM 551 C VAL A 35 -4.276 -6.805 0.577 1.00 0.00 C ATOM 552 O VAL A 35 -3.927 -5.717 1.033 1.00 0.00 O ATOM 553 CB VAL A 35 -6.267 -6.103 -0.838 1.00 0.00 C ATOM 554 CG1 VAL A 35 -7.120 -6.300 0.405 1.00 0.00 C ATOM 555 CG2 VAL A 35 -5.986 -4.632 -1.088 1.00 0.00 C ATOM 0 H VAL A 35 -5.386 -8.915 -0.519 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.241 -6.423 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.858 -6.507 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.038 -5.720 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.367 -7.356 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.567 -5.965 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.926 -4.081 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.355 -4.241 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.474 -4.517 -2.044 1.00 0.00 H new ATOM 565 N GLU A 36 -4.081 -7.951 1.231 1.00 0.00 N ATOM 566 CA GLU A 36 -3.432 -7.977 2.539 1.00 0.00 C ATOM 567 C GLU A 36 -1.981 -8.398 2.373 1.00 0.00 C ATOM 568 O GLU A 36 -1.100 -7.949 3.105 1.00 0.00 O ATOM 569 CB GLU A 36 -4.145 -8.937 3.496 1.00 0.00 C ATOM 570 CG GLU A 36 -3.627 -8.869 4.924 1.00 0.00 C ATOM 571 CD GLU A 36 -2.794 -10.079 5.300 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.327 -11.207 5.245 1.00 0.00 O ATOM 573 OE2 GLU A 36 -1.608 -9.898 5.649 1.00 0.00 O ATOM 0 H GLU A 36 -4.361 -8.866 0.878 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.483 -6.976 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.212 -8.713 3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.033 -9.956 3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.027 -7.967 5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.471 -8.786 5.609 1.00 0.00 H new ATOM 580 N LYS A 37 -1.743 -9.252 1.382 1.00 0.00 N ATOM 581 CA LYS A 37 -0.402 -9.724 1.088 1.00 0.00 C ATOM 582 C LYS A 37 0.331 -8.683 0.261 1.00 0.00 C ATOM 583 O LYS A 37 1.538 -8.494 0.410 1.00 0.00 O ATOM 584 CB LYS A 37 -0.450 -11.057 0.342 1.00 0.00 C ATOM 585 CG LYS A 37 0.689 -11.997 0.699 1.00 0.00 C ATOM 586 CD LYS A 37 0.411 -12.744 1.993 1.00 0.00 C ATOM 587 CE LYS A 37 1.668 -13.399 2.541 1.00 0.00 C ATOM 588 NZ LYS A 37 1.356 -14.607 3.354 1.00 0.00 N ATOM 0 H LYS A 37 -2.466 -9.630 0.770 1.00 0.00 H new ATOM 0 HA LYS A 37 0.131 -9.881 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.398 -11.550 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.428 -10.864 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.839 -12.712 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.614 -11.429 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.008 -12.053 2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.350 -13.505 1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.322 -13.677 1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.214 -12.681 3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.240 -15.024 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.753 -14.338 4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.857 -15.303 2.764 1.00 0.00 H new ATOM 602 N GLU A 38 -0.410 -7.991 -0.602 1.00 0.00 N ATOM 603 CA GLU A 38 0.176 -6.957 -1.430 1.00 0.00 C ATOM 604 C GLU A 38 0.728 -5.834 -0.560 1.00 0.00 C ATOM 605 O GLU A 38 1.849 -5.371 -0.765 1.00 0.00 O ATOM 606 CB GLU A 38 -0.870 -6.411 -2.394 1.00 0.00 C ATOM 607 CG GLU A 38 -1.009 -7.226 -3.668 1.00 0.00 C ATOM 608 CD GLU A 38 -1.406 -8.664 -3.398 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.592 -9.404 -2.806 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.532 -9.051 -3.777 1.00 0.00 O ATOM 0 H GLU A 38 -1.411 -8.131 -0.741 1.00 0.00 H new ATOM 0 HA GLU A 38 0.997 -7.387 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.835 -6.376 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.610 -5.385 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.755 -6.762 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.064 -7.209 -4.211 1.00 0.00 H new ATOM 617 N LEU A 39 -0.063 -5.403 0.420 1.00 0.00 N ATOM 618 CA LEU A 39 0.353 -4.335 1.323 1.00 0.00 C ATOM 619 C LEU A 39 1.755 -4.596 1.861 1.00 0.00 C ATOM 620 O LEU A 39 2.541 -3.667 2.044 1.00 0.00 O ATOM 621 CB LEU A 39 -0.641 -4.197 2.480 1.00 0.00 C ATOM 622 CG LEU A 39 -1.535 -2.956 2.413 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.882 -3.302 1.800 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.718 -2.355 3.798 1.00 0.00 C ATOM 0 H LEU A 39 -0.993 -5.777 0.608 1.00 0.00 H new ATOM 0 HA LEU A 39 0.369 -3.401 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.275 -5.083 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.085 -4.177 3.418 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.048 -2.215 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.504 -2.408 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.734 -3.686 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.375 -4.060 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.356 -1.474 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.182 -3.090 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.747 -2.070 4.202 1.00 0.00 H new ATOM 636 N LEU A 40 2.068 -5.866 2.099 1.00 0.00 N ATOM 637 CA LEU A 40 3.386 -6.238 2.599 1.00 0.00 C ATOM 638 C LEU A 40 4.470 -5.804 1.616 1.00 0.00 C ATOM 639 O LEU A 40 5.615 -5.565 2.001 1.00 0.00 O ATOM 640 CB LEU A 40 3.462 -7.748 2.840 1.00 0.00 C ATOM 641 CG LEU A 40 3.360 -8.175 4.305 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.677 -9.529 4.420 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.739 -8.215 4.944 1.00 0.00 C ATOM 0 H LEU A 40 1.431 -6.650 1.955 1.00 0.00 H new ATOM 0 HA LEU A 40 3.551 -5.727 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.661 -8.231 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.403 -8.119 2.434 1.00 0.00 H new ATOM 0 HG LEU A 40 2.756 -7.441 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.613 -9.816 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.673 -9.467 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.254 -10.275 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.648 -8.521 5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.367 -8.928 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.192 -7.225 4.894 1.00 0.00 H new ATOM 655 N ARG A 41 4.094 -5.697 0.345 1.00 0.00 N ATOM 656 CA ARG A 41 5.022 -5.284 -0.699 1.00 0.00 C ATOM 657 C ARG A 41 5.444 -3.832 -0.501 1.00 0.00 C ATOM 658 O ARG A 41 6.635 -3.528 -0.423 1.00 0.00 O ATOM 659 CB ARG A 41 4.384 -5.457 -2.079 1.00 0.00 C ATOM 660 CG ARG A 41 3.956 -6.885 -2.375 1.00 0.00 C ATOM 661 CD ARG A 41 5.148 -7.761 -2.728 1.00 0.00 C ATOM 662 NE ARG A 41 5.009 -9.115 -2.198 1.00 0.00 N ATOM 663 CZ ARG A 41 5.954 -10.048 -2.287 1.00 0.00 C ATOM 664 NH1 ARG A 41 7.108 -9.776 -2.885 1.00 0.00 N ATOM 665 NH2 ARG A 41 5.747 -11.254 -1.778 1.00 0.00 N ATOM 0 H ARG A 41 3.149 -5.892 0.014 1.00 0.00 H new ATOM 0 HA ARG A 41 5.907 -5.917 -0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.515 -4.803 -2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.093 -5.133 -2.841 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.442 -7.299 -1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.243 -6.889 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.257 -7.805 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.059 -7.310 -2.334 1.00 0.00 H new ATOM 0 HE ARG A 41 4.136 -9.360 -1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.273 -8.849 -3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.830 -10.494 -2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.863 -11.468 -1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.472 -11.968 -1.847 1.00 0.00 H new ATOM 679 N VAL A 42 4.462 -2.939 -0.413 1.00 0.00 N ATOM 680 CA VAL A 42 4.734 -1.520 -0.218 1.00 0.00 C ATOM 681 C VAL A 42 5.613 -1.294 1.010 1.00 0.00 C ATOM 682 O VAL A 42 6.339 -0.304 1.091 1.00 0.00 O ATOM 683 CB VAL A 42 3.430 -0.712 -0.063 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.730 0.775 0.042 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.488 -0.989 -1.225 1.00 0.00 C ATOM 0 H VAL A 42 3.471 -3.174 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 42 5.261 -1.173 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 42 2.939 -1.027 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.797 1.328 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.363 0.958 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.245 1.107 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.573 -0.410 -1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.970 -0.705 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.244 -2.051 -1.251 1.00 0.00 H new ATOM 695 N GLY A 43 5.546 -2.223 1.960 1.00 0.00 N ATOM 696 CA GLY A 43 6.345 -2.107 3.164 1.00 0.00 C ATOM 697 C GLY A 43 7.798 -2.460 2.921 1.00 0.00 C ATOM 698 O GLY A 43 8.701 -1.786 3.418 1.00 0.00 O ATOM 0 H GLY A 43 4.953 -3.052 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.279 -1.088 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.937 -2.762 3.934 1.00 0.00 H new ATOM 702 N GLN A 44 8.024 -3.518 2.149 1.00 0.00 N ATOM 703 CA GLN A 44 9.376 -3.958 1.833 1.00 0.00 C ATOM 704 C GLN A 44 10.052 -2.974 0.885 1.00 0.00 C ATOM 705 O GLN A 44 11.270 -2.799 0.919 1.00 0.00 O ATOM 706 CB GLN A 44 9.349 -5.354 1.207 1.00 0.00 C ATOM 707 CG GLN A 44 9.341 -6.479 2.229 1.00 0.00 C ATOM 708 CD GLN A 44 10.701 -7.129 2.392 1.00 0.00 C ATOM 709 OE1 GLN A 44 11.706 -6.449 2.603 1.00 0.00 O ATOM 710 NE2 GLN A 44 10.740 -8.452 2.293 1.00 0.00 N ATOM 0 H GLN A 44 7.287 -4.086 1.731 1.00 0.00 H new ATOM 0 HA GLN A 44 9.948 -3.998 2.760 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.466 -5.443 0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.218 -5.469 0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.012 -6.088 3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.615 -7.234 1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.883 -8.976 2.117 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.627 -8.945 2.392 1.00 0.00 H new ATOM 719 N ILE A 45 9.251 -2.330 0.041 1.00 0.00 N ATOM 720 CA ILE A 45 9.768 -1.360 -0.914 1.00 0.00 C ATOM 721 C ILE A 45 10.352 -0.149 -0.194 1.00 0.00 C ATOM 722 O ILE A 45 11.338 0.434 -0.641 1.00 0.00 O ATOM 723 CB ILE A 45 8.666 -0.894 -1.889 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.077 -2.094 -2.633 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.214 0.129 -2.879 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.643 -1.888 -3.071 1.00 0.00 C ATOM 0 H ILE A 45 8.241 -2.464 0.000 1.00 0.00 H new ATOM 0 HA ILE A 45 10.556 -1.853 -1.484 1.00 0.00 H new ATOM 0 HB ILE A 45 7.875 -0.416 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.690 -2.304 -3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.129 -2.972 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.419 0.442 -3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.591 0.996 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.024 -0.319 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.290 -2.778 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.018 -1.708 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.587 -1.030 -3.740 1.00 0.00 H new ATOM 738 N LEU A 46 9.743 0.223 0.925 1.00 0.00 N ATOM 739 CA LEU A 46 10.214 1.364 1.699 1.00 0.00 C ATOM 740 C LEU A 46 11.445 0.990 2.516 1.00 0.00 C ATOM 741 O LEU A 46 12.348 1.804 2.706 1.00 0.00 O ATOM 742 CB LEU A 46 9.103 1.881 2.615 1.00 0.00 C ATOM 743 CG LEU A 46 8.667 3.323 2.346 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.305 3.510 0.880 1.00 0.00 C ATOM 745 CD2 LEU A 46 7.495 3.697 3.241 1.00 0.00 C ATOM 0 H LEU A 46 8.926 -0.246 1.315 1.00 0.00 H new ATOM 0 HA LEU A 46 10.492 2.158 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.235 1.229 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.439 1.805 3.649 1.00 0.00 H new ATOM 0 HG LEU A 46 9.502 3.985 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.998 4.542 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.172 3.282 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.486 2.840 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.196 4.725 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.657 3.029 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.791 3.605 4.286 1.00 0.00 H new ATOM 757 N LYS A 47 11.478 -0.252 2.988 1.00 0.00 N ATOM 758 CA LYS A 47 12.605 -0.737 3.772 1.00 0.00 C ATOM 759 C LYS A 47 13.812 -0.985 2.874 1.00 0.00 C ATOM 760 O LYS A 47 14.954 -0.974 3.333 1.00 0.00 O ATOM 761 CB LYS A 47 12.226 -2.025 4.506 1.00 0.00 C ATOM 762 CG LYS A 47 13.179 -2.385 5.634 1.00 0.00 C ATOM 763 CD LYS A 47 13.206 -3.885 5.884 1.00 0.00 C ATOM 764 CE LYS A 47 12.219 -4.286 6.968 1.00 0.00 C ATOM 765 NZ LYS A 47 12.612 -5.558 7.634 1.00 0.00 N ATOM 0 H LYS A 47 10.738 -0.939 2.841 1.00 0.00 H new ATOM 0 HA LYS A 47 12.866 0.025 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.220 -1.920 4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.197 -2.846 3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.183 -2.038 5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.877 -1.869 6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.969 -4.413 4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.212 -4.188 6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.154 -3.492 7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.226 -4.396 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.913 -5.797 8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.649 -6.322 6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.548 -5.445 8.072 1.00 0.00 H new ATOM 779 N GLU A 48 13.549 -1.204 1.587 1.00 0.00 N ATOM 780 CA GLU A 48 14.608 -1.451 0.620 1.00 0.00 C ATOM 781 C GLU A 48 15.562 -0.260 0.541 1.00 0.00 C ATOM 782 O GLU A 48 15.131 0.893 0.606 1.00 0.00 O ATOM 783 CB GLU A 48 14.006 -1.730 -0.759 1.00 0.00 C ATOM 784 CG GLU A 48 13.834 -3.210 -1.060 1.00 0.00 C ATOM 785 CD GLU A 48 15.146 -3.894 -1.387 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.566 -3.842 -2.563 1.00 0.00 O ATOM 787 OE2 GLU A 48 15.754 -4.484 -0.469 1.00 0.00 O ATOM 0 H GLU A 48 12.608 -1.215 1.193 1.00 0.00 H new ATOM 0 HA GLU A 48 15.173 -2.323 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.036 -1.238 -0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.645 -1.284 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.377 -3.701 -0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.147 -3.329 -1.898 1.00 0.00 H new ATOM 794 N PRO A 49 16.873 -0.519 0.397 1.00 0.00 N ATOM 795 CA PRO A 49 17.880 0.543 0.307 1.00 0.00 C ATOM 796 C PRO A 49 17.834 1.268 -1.035 1.00 0.00 C ATOM 797 O PRO A 49 17.871 2.497 -1.089 1.00 0.00 O ATOM 798 CB PRO A 49 19.201 -0.209 0.464 1.00 0.00 C ATOM 799 CG PRO A 49 18.915 -1.580 -0.039 1.00 0.00 C ATOM 800 CD PRO A 49 17.478 -1.862 0.307 1.00 0.00 C ATOM 0 HA PRO A 49 17.725 1.319 1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.998 0.265 -0.109 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.525 -0.228 1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.076 -1.641 -1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 49 19.578 -2.311 0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 49 16.993 -2.470 -0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 49 17.391 -2.405 1.248 1.00 0.00 H new ATOM 808 N LYS A 50 17.747 0.498 -2.115 1.00 0.00 N ATOM 809 CA LYS A 50 17.690 1.069 -3.455 1.00 0.00 C ATOM 810 C LYS A 50 16.422 1.895 -3.632 1.00 0.00 C ATOM 811 O LYS A 50 16.449 2.976 -4.222 1.00 0.00 O ATOM 812 CB LYS A 50 17.743 -0.040 -4.508 1.00 0.00 C ATOM 813 CG LYS A 50 19.080 -0.758 -4.570 1.00 0.00 C ATOM 814 CD LYS A 50 19.083 -1.841 -5.636 1.00 0.00 C ATOM 815 CE LYS A 50 19.229 -1.250 -7.029 1.00 0.00 C ATOM 816 NZ LYS A 50 18.514 -2.061 -8.054 1.00 0.00 N ATOM 0 H LYS A 50 17.715 -0.521 -2.088 1.00 0.00 H new ATOM 0 HA LYS A 50 18.553 1.722 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.959 -0.767 -4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.525 0.389 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.871 -0.038 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.301 -1.201 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.900 -2.537 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.157 -2.413 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.839 -0.232 -7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.286 -1.188 -7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.638 -1.625 -8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.903 -3.025 -8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.501 -2.100 -7.821 1.00 0.00 H new ATOM 830 N MET A 51 15.313 1.382 -3.109 1.00 0.00 N ATOM 831 CA MET A 51 14.033 2.073 -3.201 1.00 0.00 C ATOM 832 C MET A 51 14.041 3.334 -2.346 1.00 0.00 C ATOM 833 O MET A 51 13.393 4.326 -2.680 1.00 0.00 O ATOM 834 CB MET A 51 12.901 1.150 -2.751 1.00 0.00 C ATOM 835 CG MET A 51 12.576 0.045 -3.744 1.00 0.00 C ATOM 836 SD MET A 51 12.189 0.674 -5.390 1.00 0.00 S ATOM 837 CE MET A 51 10.672 1.568 -5.066 1.00 0.00 C ATOM 0 H MET A 51 15.276 0.489 -2.617 1.00 0.00 H new ATOM 0 HA MET A 51 13.871 2.356 -4.241 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.171 0.699 -1.796 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.005 1.747 -2.580 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.423 -0.637 -3.811 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.730 -0.533 -3.373 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.596 2.415 -5.748 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.820 0.905 -5.214 1.00 0.00 H new ATOM 0 HE3 MET A 51 10.675 1.930 -4.038 1.00 0.00 H new ATOM 847 N ALA A 52 14.779 3.288 -1.243 1.00 0.00 N ATOM 848 CA ALA A 52 14.873 4.425 -0.337 1.00 0.00 C ATOM 849 C ALA A 52 15.427 5.653 -1.054 1.00 0.00 C ATOM 850 O ALA A 52 14.956 6.770 -0.846 1.00 0.00 O ATOM 851 CB ALA A 52 15.743 4.072 0.861 1.00 0.00 C ATOM 0 H ALA A 52 15.322 2.474 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 52 13.869 4.665 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.806 4.930 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.305 3.228 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.743 3.805 0.519 1.00 0.00 H new ATOM 857 N ALA A 53 16.428 5.434 -1.900 1.00 0.00 N ATOM 858 CA ALA A 53 17.045 6.521 -2.650 1.00 0.00 C ATOM 859 C ALA A 53 16.155 6.968 -3.806 1.00 0.00 C ATOM 860 O ALA A 53 16.272 8.093 -4.292 1.00 0.00 O ATOM 861 CB ALA A 53 18.410 6.096 -3.167 1.00 0.00 C ATOM 0 H ALA A 53 16.829 4.514 -2.083 1.00 0.00 H new ATOM 0 HA ALA A 53 17.171 7.368 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.859 6.917 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.052 5.834 -2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.298 5.231 -3.821 1.00 0.00 H new ATOM 867 N SER A 54 15.266 6.081 -4.245 1.00 0.00 N ATOM 868 CA SER A 54 14.360 6.389 -5.347 1.00 0.00 C ATOM 869 C SER A 54 13.070 7.019 -4.836 1.00 0.00 C ATOM 870 O SER A 54 12.480 7.873 -5.498 1.00 0.00 O ATOM 871 CB SER A 54 14.041 5.120 -6.140 1.00 0.00 C ATOM 872 OG SER A 54 15.217 4.556 -6.694 1.00 0.00 O ATOM 0 H SER A 54 15.154 5.145 -3.855 1.00 0.00 H new ATOM 0 HA SER A 54 14.856 7.106 -6.001 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.557 4.392 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.335 5.353 -6.937 1.00 0.00 H new ATOM 0 HG SER A 54 15.695 4.052 -6.003 1.00 0.00 H new ATOM 878 N LEU A 55 12.633 6.593 -3.654 1.00 0.00 N ATOM 879 CA LEU A 55 11.411 7.118 -3.058 1.00 0.00 C ATOM 880 C LEU A 55 11.672 8.445 -2.351 1.00 0.00 C ATOM 881 O LEU A 55 10.762 9.255 -2.177 1.00 0.00 O ATOM 882 CB LEU A 55 10.825 6.107 -2.072 1.00 0.00 C ATOM 883 CG LEU A 55 10.407 4.769 -2.688 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.068 3.761 -1.601 1.00 0.00 C ATOM 885 CD2 LEU A 55 9.223 4.963 -3.626 1.00 0.00 C ATOM 0 H LEU A 55 13.107 5.886 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 55 10.693 7.292 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.561 5.916 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.956 6.555 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 55 11.245 4.379 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.773 2.817 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.941 3.600 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.246 4.142 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.938 4.003 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.382 5.375 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.501 5.650 -4.425 1.00 0.00 H new ATOM 897 N LEU A 56 12.919 8.661 -1.945 1.00 0.00 N ATOM 898 CA LEU A 56 13.296 9.889 -1.257 1.00 0.00 C ATOM 899 C LEU A 56 13.795 10.940 -2.245 1.00 0.00 C ATOM 900 O LEU A 56 13.663 12.140 -2.008 1.00 0.00 O ATOM 901 CB LEU A 56 14.376 9.600 -0.213 1.00 0.00 C ATOM 902 CG LEU A 56 14.541 10.673 0.865 1.00 0.00 C ATOM 903 CD1 LEU A 56 15.149 11.936 0.273 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.203 10.980 1.522 1.00 0.00 C ATOM 0 H LEU A 56 13.685 8.001 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 56 12.410 10.281 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.145 8.652 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.330 9.472 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 56 15.219 10.292 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.259 12.688 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.127 11.706 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.497 12.321 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.340 11.745 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.502 11.340 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.807 10.075 1.982 1.00 0.00 H new ATOM 916 N ASN A 57 14.372 10.481 -3.352 1.00 0.00 N ATOM 917 CA ASN A 57 14.893 11.385 -4.372 1.00 0.00 C ATOM 918 C ASN A 57 13.794 12.311 -4.896 1.00 0.00 C ATOM 919 O ASN A 57 12.641 11.903 -5.032 1.00 0.00 O ATOM 920 CB ASN A 57 15.498 10.586 -5.528 1.00 0.00 C ATOM 921 CG ASN A 57 17.012 10.527 -5.460 1.00 0.00 C ATOM 922 OD1 ASN A 57 17.544 10.348 -4.256 1.00 0.00 O flip ATOM 923 ND2 ASN A 57 17.695 10.642 -6.477 1.00 0.00 N flip ATOM 0 H ASN A 57 14.490 9.491 -3.565 1.00 0.00 H new ATOM 0 HA ASN A 57 15.670 11.998 -3.916 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.097 9.573 -5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.197 11.036 -6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.244 10.778 -7.382 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.712 10.601 -6.415 1.00 0.00 H new ATOM 930 N PRO A 58 14.142 13.574 -5.200 1.00 0.00 N ATOM 931 CA PRO A 58 13.181 14.554 -5.713 1.00 0.00 C ATOM 932 C PRO A 58 12.842 14.328 -7.185 1.00 0.00 C ATOM 933 O PRO A 58 12.010 15.036 -7.755 1.00 0.00 O ATOM 934 CB PRO A 58 13.915 15.883 -5.533 1.00 0.00 C ATOM 935 CG PRO A 58 15.358 15.530 -5.645 1.00 0.00 C ATOM 936 CD PRO A 58 15.498 14.146 -5.071 1.00 0.00 C ATOM 0 HA PRO A 58 12.224 14.499 -5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.622 16.605 -6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.690 16.333 -4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.685 15.555 -6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.976 16.242 -5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.234 13.558 -5.619 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.823 14.175 -4.031 1.00 0.00 H new ATOM 944 N TYR A 59 13.490 13.340 -7.797 1.00 0.00 N ATOM 945 CA TYR A 59 13.255 13.024 -9.201 1.00 0.00 C ATOM 946 C TYR A 59 12.074 12.070 -9.364 1.00 0.00 C ATOM 947 O TYR A 59 11.550 11.903 -10.466 1.00 0.00 O ATOM 948 CB TYR A 59 14.513 12.409 -9.816 1.00 0.00 C ATOM 949 CG TYR A 59 15.768 13.213 -9.555 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.429 13.130 -8.336 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.288 14.058 -10.527 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.573 13.865 -8.094 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.432 14.796 -10.292 1.00 0.00 C ATOM 954 CZ TYR A 59 18.070 14.696 -9.075 1.00 0.00 C ATOM 955 OH TYR A 59 19.210 15.430 -8.836 1.00 0.00 O ATOM 0 H TYR A 59 14.182 12.745 -7.341 1.00 0.00 H new ATOM 0 HA TYR A 59 13.014 13.951 -9.721 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.647 11.403 -9.419 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.371 12.311 -10.892 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.042 12.480 -7.565 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.790 14.139 -11.482 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.076 13.789 -7.141 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.824 15.448 -11.058 1.00 0.00 H new ATOM 0 HH TYR A 59 19.428 15.964 -9.629 1.00 0.00 H new ATOM 965 N VAL A 60 11.657 11.446 -8.266 1.00 0.00 N ATOM 966 CA VAL A 60 10.538 10.513 -8.294 1.00 0.00 C ATOM 967 C VAL A 60 9.207 11.252 -8.190 1.00 0.00 C ATOM 968 O VAL A 60 8.410 10.997 -7.286 1.00 0.00 O ATOM 969 CB VAL A 60 10.641 9.480 -7.154 1.00 0.00 C ATOM 970 CG1 VAL A 60 10.585 10.168 -5.797 1.00 0.00 C ATOM 971 CG2 VAL A 60 9.543 8.433 -7.277 1.00 0.00 C ATOM 0 H VAL A 60 12.079 11.571 -7.346 1.00 0.00 H new ATOM 0 HA VAL A 60 10.581 9.988 -9.248 1.00 0.00 H new ATOM 0 HB VAL A 60 11.603 8.974 -7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.659 9.421 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.414 10.871 -5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.642 10.706 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 60 9.633 7.714 -6.463 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.569 8.919 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.639 7.915 -8.231 1.00 0.00 H new ATOM 981 N LYS A 61 8.972 12.169 -9.123 1.00 0.00 N ATOM 982 CA LYS A 61 7.738 12.949 -9.140 1.00 0.00 C ATOM 983 C LYS A 61 6.514 12.038 -9.132 1.00 0.00 C ATOM 984 O LYS A 61 6.605 10.858 -9.468 1.00 0.00 O ATOM 985 CB LYS A 61 7.703 13.858 -10.370 1.00 0.00 C ATOM 986 CG LYS A 61 7.079 15.218 -10.104 1.00 0.00 C ATOM 987 CD LYS A 61 5.627 15.263 -10.550 1.00 0.00 C ATOM 988 CE LYS A 61 5.273 16.609 -11.162 1.00 0.00 C ATOM 989 NZ LYS A 61 3.890 17.034 -10.810 1.00 0.00 N ATOM 0 H LYS A 61 9.620 12.391 -9.878 1.00 0.00 H new ATOM 0 HA LYS A 61 7.715 13.563 -8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.720 13.999 -10.736 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.145 13.360 -11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.141 15.446 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.645 15.988 -10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.444 14.472 -11.277 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.977 15.068 -9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.982 17.362 -10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.370 16.551 -12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.688 17.956 -11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.210 16.329 -11.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.804 17.114 -9.777 1.00 0.00 H new ATOM 1003 N ARG A 62 5.372 12.595 -8.743 1.00 0.00 N ATOM 1004 CA ARG A 62 4.128 11.834 -8.687 1.00 0.00 C ATOM 1005 C ARG A 62 3.795 11.226 -10.045 1.00 0.00 C ATOM 1006 O ARG A 62 3.423 10.056 -10.138 1.00 0.00 O ATOM 1007 CB ARG A 62 2.978 12.730 -8.222 1.00 0.00 C ATOM 1008 CG ARG A 62 1.770 11.958 -7.715 1.00 0.00 C ATOM 1009 CD ARG A 62 0.695 11.835 -8.784 1.00 0.00 C ATOM 1010 NE ARG A 62 -0.593 12.350 -8.326 1.00 0.00 N ATOM 1011 CZ ARG A 62 -0.897 13.645 -8.272 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -0.009 14.558 -8.645 1.00 0.00 N ATOM 1013 NH2 ARG A 62 -2.092 14.027 -7.843 1.00 0.00 N ATOM 0 H ARG A 62 5.282 13.571 -8.462 1.00 0.00 H new ATOM 0 HA ARG A 62 4.263 11.023 -7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.338 13.386 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.669 13.369 -9.049 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.081 10.964 -7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.358 12.460 -6.840 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.007 12.379 -9.676 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.586 10.789 -9.070 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.301 11.678 -8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.912 14.269 -8.975 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.247 15.549 -8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.778 13.329 -7.555 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.326 15.019 -7.801 1.00 0.00 H new ATOM 1027 N SER A 63 3.930 12.027 -11.098 1.00 0.00 N ATOM 1028 CA SER A 63 3.642 11.566 -12.451 1.00 0.00 C ATOM 1029 C SER A 63 4.515 10.370 -12.818 1.00 0.00 C ATOM 1030 O SER A 63 4.008 9.312 -13.193 1.00 0.00 O ATOM 1031 CB SER A 63 3.861 12.699 -13.456 1.00 0.00 C ATOM 1032 OG SER A 63 3.116 13.850 -13.097 1.00 0.00 O ATOM 0 H SER A 63 4.237 12.998 -11.040 1.00 0.00 H new ATOM 0 HA SER A 63 2.598 11.254 -12.486 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.921 12.948 -13.503 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.567 12.368 -14.452 1.00 0.00 H new ATOM 0 HG SER A 63 3.274 14.560 -13.754 1.00 0.00 H new ATOM 1038 N VAL A 64 5.827 10.543 -12.707 1.00 0.00 N ATOM 1039 CA VAL A 64 6.767 9.476 -13.026 1.00 0.00 C ATOM 1040 C VAL A 64 6.510 8.247 -12.161 1.00 0.00 C ATOM 1041 O VAL A 64 6.672 7.113 -12.611 1.00 0.00 O ATOM 1042 CB VAL A 64 8.226 9.931 -12.835 1.00 0.00 C ATOM 1043 CG1 VAL A 64 9.190 8.856 -13.314 1.00 0.00 C ATOM 1044 CG2 VAL A 64 8.477 11.245 -13.561 1.00 0.00 C ATOM 0 H VAL A 64 6.263 11.412 -12.399 1.00 0.00 H new ATOM 0 HA VAL A 64 6.613 9.221 -14.074 1.00 0.00 H new ATOM 0 HB VAL A 64 8.399 10.092 -11.771 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.215 9.197 -13.171 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.028 7.942 -12.743 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.018 8.658 -14.372 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.513 11.550 -13.414 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.285 11.115 -14.626 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.813 12.013 -13.164 1.00 0.00 H new ATOM 1054 N LYS A 65 6.103 8.480 -10.917 1.00 0.00 N ATOM 1055 CA LYS A 65 5.819 7.391 -9.992 1.00 0.00 C ATOM 1056 C LYS A 65 4.640 6.560 -10.488 1.00 0.00 C ATOM 1057 O LYS A 65 4.587 5.350 -10.273 1.00 0.00 O ATOM 1058 CB LYS A 65 5.522 7.941 -8.595 1.00 0.00 C ATOM 1059 CG LYS A 65 6.251 7.204 -7.483 1.00 0.00 C ATOM 1060 CD LYS A 65 5.956 5.714 -7.516 1.00 0.00 C ATOM 1061 CE LYS A 65 6.952 4.930 -6.676 1.00 0.00 C ATOM 1062 NZ LYS A 65 7.278 3.611 -7.287 1.00 0.00 N ATOM 0 H LYS A 65 5.963 9.412 -10.528 1.00 0.00 H new ATOM 0 HA LYS A 65 6.699 6.750 -9.938 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.798 8.995 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.449 7.887 -8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.325 7.366 -7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.954 7.614 -6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.946 5.534 -7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.988 5.358 -8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.866 5.512 -6.560 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.543 4.776 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.193 3.276 -6.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.537 2.923 -7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.332 3.711 -8.321 1.00 0.00 H new ATOM 1076 N VAL A 66 3.699 7.220 -11.157 1.00 0.00 N ATOM 1077 CA VAL A 66 2.523 6.543 -11.686 1.00 0.00 C ATOM 1078 C VAL A 66 2.919 5.452 -12.675 1.00 0.00 C ATOM 1079 O VAL A 66 2.384 4.344 -12.640 1.00 0.00 O ATOM 1080 CB VAL A 66 1.567 7.532 -12.379 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.275 6.837 -12.781 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.283 8.720 -11.473 1.00 0.00 C ATOM 0 H VAL A 66 3.729 8.222 -11.345 1.00 0.00 H new ATOM 0 HA VAL A 66 2.008 6.092 -10.838 1.00 0.00 H new ATOM 0 HB VAL A 66 2.049 7.900 -13.285 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.387 7.553 -13.269 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.499 6.022 -13.470 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.215 6.437 -11.893 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.606 9.409 -11.978 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.823 8.371 -10.549 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.217 9.233 -11.242 1.00 0.00 H new ATOM 1092 N LYS A 67 3.863 5.771 -13.556 1.00 0.00 N ATOM 1093 CA LYS A 67 4.330 4.813 -14.549 1.00 0.00 C ATOM 1094 C LYS A 67 5.116 3.690 -13.882 1.00 0.00 C ATOM 1095 O LYS A 67 4.952 2.518 -14.218 1.00 0.00 O ATOM 1096 CB LYS A 67 5.200 5.510 -15.597 1.00 0.00 C ATOM 1097 CG LYS A 67 4.522 6.702 -16.253 1.00 0.00 C ATOM 1098 CD LYS A 67 5.033 6.924 -17.668 1.00 0.00 C ATOM 1099 CE LYS A 67 4.132 6.256 -18.694 1.00 0.00 C ATOM 1100 NZ LYS A 67 3.833 4.842 -18.335 1.00 0.00 N ATOM 0 H LYS A 67 4.317 6.683 -13.601 1.00 0.00 H new ATOM 0 HA LYS A 67 3.459 4.384 -15.044 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.125 5.842 -15.127 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.475 4.789 -16.367 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.444 6.542 -16.275 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.699 7.597 -15.656 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.090 7.993 -17.872 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.045 6.528 -17.757 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.200 6.814 -18.776 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.610 6.288 -19.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.287 4.397 -19.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.724 4.323 -18.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.279 4.817 -17.455 1.00 0.00 H new ATOM 1114 N SER A 68 5.964 4.058 -12.928 1.00 0.00 N ATOM 1115 CA SER A 68 6.769 3.082 -12.205 1.00 0.00 C ATOM 1116 C SER A 68 5.887 2.210 -11.316 1.00 0.00 C ATOM 1117 O SER A 68 6.234 1.070 -11.008 1.00 0.00 O ATOM 1118 CB SER A 68 7.829 3.789 -11.359 1.00 0.00 C ATOM 1119 OG SER A 68 7.229 4.626 -10.385 1.00 0.00 O ATOM 0 H SER A 68 6.111 5.025 -12.638 1.00 0.00 H new ATOM 0 HA SER A 68 7.267 2.443 -12.934 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.460 3.048 -10.868 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.477 4.383 -12.004 1.00 0.00 H new ATOM 0 HG SER A 68 6.273 4.722 -10.580 1.00 0.00 H new ATOM 1125 N LEU A 69 4.744 2.756 -10.907 1.00 0.00 N ATOM 1126 CA LEU A 69 3.813 2.028 -10.055 1.00 0.00 C ATOM 1127 C LEU A 69 3.116 0.913 -10.831 1.00 0.00 C ATOM 1128 O LEU A 69 2.678 -0.080 -10.250 1.00 0.00 O ATOM 1129 CB LEU A 69 2.772 2.985 -9.470 1.00 0.00 C ATOM 1130 CG LEU A 69 3.251 3.810 -8.274 1.00 0.00 C ATOM 1131 CD1 LEU A 69 2.406 5.064 -8.117 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.216 2.975 -7.001 1.00 0.00 C ATOM 0 H LEU A 69 4.443 3.699 -11.153 1.00 0.00 H new ATOM 0 HA LEU A 69 4.382 1.577 -9.242 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.446 3.667 -10.255 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.899 2.407 -9.167 1.00 0.00 H new ATOM 0 HG LEU A 69 4.282 4.114 -8.456 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.762 5.638 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.485 5.671 -9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.365 4.784 -7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.560 3.578 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.196 2.640 -6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.867 2.108 -7.116 1.00 0.00 H new ATOM 1144 N SER A 70 3.016 1.083 -12.146 1.00 0.00 N ATOM 1145 CA SER A 70 2.372 0.090 -12.997 1.00 0.00 C ATOM 1146 C SER A 70 3.310 -1.081 -13.277 1.00 0.00 C ATOM 1147 O SER A 70 2.863 -2.210 -13.476 1.00 0.00 O ATOM 1148 CB SER A 70 1.927 0.728 -14.314 1.00 0.00 C ATOM 1149 OG SER A 70 0.614 1.251 -14.209 1.00 0.00 O ATOM 0 H SER A 70 3.373 1.898 -12.644 1.00 0.00 H new ATOM 0 HA SER A 70 1.496 -0.289 -12.470 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.618 1.525 -14.588 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.964 -0.014 -15.112 1.00 0.00 H new ATOM 0 HG SER A 70 0.353 1.655 -15.063 1.00 0.00 H new ATOM 1155 N ASP A 71 4.610 -0.805 -13.293 1.00 0.00 N ATOM 1156 CA ASP A 71 5.605 -1.842 -13.551 1.00 0.00 C ATOM 1157 C ASP A 71 6.068 -2.508 -12.257 1.00 0.00 C ATOM 1158 O ASP A 71 6.855 -3.454 -12.287 1.00 0.00 O ATOM 1159 CB ASP A 71 6.805 -1.257 -14.298 1.00 0.00 C ATOM 1160 CG ASP A 71 6.490 -0.953 -15.750 1.00 0.00 C ATOM 1161 OD1 ASP A 71 5.963 0.146 -16.025 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.770 -1.813 -16.611 1.00 0.00 O ATOM 0 H ASP A 71 4.999 0.124 -13.131 1.00 0.00 H new ATOM 0 HA ASP A 71 5.134 -2.604 -14.172 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.129 -0.343 -13.800 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.637 -1.959 -14.249 1.00 0.00 H new ATOM 1167 N MET A 72 5.555 -2.033 -11.127 1.00 0.00 N ATOM 1168 CA MET A 72 5.898 -2.609 -9.836 1.00 0.00 C ATOM 1169 C MET A 72 4.711 -3.412 -9.327 1.00 0.00 C ATOM 1170 O MET A 72 4.866 -4.414 -8.631 1.00 0.00 O ATOM 1171 CB MET A 72 6.285 -1.516 -8.833 1.00 0.00 C ATOM 1172 CG MET A 72 5.099 -0.761 -8.252 1.00 0.00 C ATOM 1173 SD MET A 72 5.598 0.549 -7.119 1.00 0.00 S ATOM 1174 CE MET A 72 4.385 0.352 -5.816 1.00 0.00 C ATOM 0 H MET A 72 4.901 -1.252 -11.081 1.00 0.00 H new ATOM 0 HA MET A 72 6.761 -3.265 -9.951 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.849 -1.969 -8.018 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.950 -0.805 -9.324 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.514 -0.330 -9.065 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.449 -1.461 -7.728 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.246 1.303 -5.302 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.437 0.030 -6.247 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.733 -0.397 -5.105 1.00 0.00 H new ATOM 1184 N THR A 73 3.524 -2.960 -9.713 1.00 0.00 N ATOM 1185 CA THR A 73 2.288 -3.618 -9.342 1.00 0.00 C ATOM 1186 C THR A 73 2.166 -4.941 -10.093 1.00 0.00 C ATOM 1187 O THR A 73 1.576 -5.899 -9.593 1.00 0.00 O ATOM 1188 CB THR A 73 1.110 -2.687 -9.662 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.008 -1.653 -8.699 1.00 0.00 O ATOM 1190 CG2 THR A 73 -0.234 -3.374 -9.744 1.00 0.00 C ATOM 0 H THR A 73 3.397 -2.129 -10.290 1.00 0.00 H new ATOM 0 HA THR A 73 2.281 -3.834 -8.274 1.00 0.00 H new ATOM 0 HB THR A 73 1.340 -2.294 -10.652 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.529 -0.878 -8.995 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.005 -2.639 -9.974 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.209 -4.130 -10.528 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.459 -3.849 -8.789 1.00 0.00 H new ATOM 1198 N ALA A 74 2.737 -4.990 -11.297 1.00 0.00 N ATOM 1199 CA ALA A 74 2.696 -6.200 -12.109 1.00 0.00 C ATOM 1200 C ALA A 74 3.858 -7.134 -11.775 1.00 0.00 C ATOM 1201 O ALA A 74 4.035 -8.169 -12.417 1.00 0.00 O ATOM 1202 CB ALA A 74 2.715 -5.842 -13.588 1.00 0.00 C ATOM 0 H ALA A 74 3.231 -4.208 -11.727 1.00 0.00 H new ATOM 0 HA ALA A 74 1.768 -6.726 -11.882 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.684 -6.754 -14.184 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.848 -5.225 -13.824 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.627 -5.290 -13.817 1.00 0.00 H new ATOM 1208 N LYS A 75 4.649 -6.768 -10.767 1.00 0.00 N ATOM 1209 CA LYS A 75 5.790 -7.580 -10.358 1.00 0.00 C ATOM 1210 C LYS A 75 5.713 -7.925 -8.873 1.00 0.00 C ATOM 1211 O LYS A 75 5.930 -9.072 -8.482 1.00 0.00 O ATOM 1212 CB LYS A 75 7.098 -6.847 -10.656 1.00 0.00 C ATOM 1213 CG LYS A 75 7.642 -7.115 -12.049 1.00 0.00 C ATOM 1214 CD LYS A 75 7.051 -6.159 -13.072 1.00 0.00 C ATOM 1215 CE LYS A 75 6.853 -6.835 -14.419 1.00 0.00 C ATOM 1216 NZ LYS A 75 7.027 -5.883 -15.550 1.00 0.00 N ATOM 0 H LYS A 75 4.520 -5.916 -10.221 1.00 0.00 H new ATOM 0 HA LYS A 75 5.764 -8.509 -10.928 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.939 -5.775 -10.537 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.846 -7.142 -9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.727 -7.016 -12.042 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.417 -8.142 -12.337 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.095 -5.782 -12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.709 -5.298 -13.189 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.564 -7.654 -14.522 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.855 -7.272 -14.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.884 -6.384 -16.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.332 -5.114 -15.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.988 -5.485 -15.524 1.00 0.00 H new ATOM 1230 N GLU A 76 5.403 -6.928 -8.052 1.00 0.00 N ATOM 1231 CA GLU A 76 5.298 -7.129 -6.611 1.00 0.00 C ATOM 1232 C GLU A 76 4.156 -8.080 -6.278 1.00 0.00 C ATOM 1233 O GLU A 76 4.363 -9.123 -5.658 1.00 0.00 O ATOM 1234 CB GLU A 76 5.087 -5.791 -5.900 1.00 0.00 C ATOM 1235 CG GLU A 76 6.383 -5.093 -5.518 1.00 0.00 C ATOM 1236 CD GLU A 76 7.323 -4.924 -6.696 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.688 -5.944 -7.316 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.694 -3.769 -6.997 1.00 0.00 O ATOM 0 H GLU A 76 5.220 -5.973 -8.359 1.00 0.00 H new ATOM 0 HA GLU A 76 6.231 -7.573 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.507 -5.133 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.495 -5.957 -5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.154 -4.114 -5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.884 -5.666 -4.738 1.00 0.00 H new ATOM 1245 N LYS A 77 2.953 -7.708 -6.698 1.00 0.00 N ATOM 1246 CA LYS A 77 1.758 -8.513 -6.456 1.00 0.00 C ATOM 1247 C LYS A 77 0.502 -7.705 -6.765 1.00 0.00 C ATOM 1248 O LYS A 77 -0.521 -8.257 -7.170 1.00 0.00 O ATOM 1249 CB LYS A 77 1.718 -9.011 -5.006 1.00 0.00 C ATOM 1250 CG LYS A 77 2.147 -10.461 -4.849 1.00 0.00 C ATOM 1251 CD LYS A 77 2.894 -10.684 -3.545 1.00 0.00 C ATOM 1252 CE LYS A 77 2.646 -12.078 -2.992 1.00 0.00 C ATOM 1253 NZ LYS A 77 3.691 -13.043 -3.431 1.00 0.00 N ATOM 0 H LYS A 77 2.777 -6.845 -7.213 1.00 0.00 H new ATOM 0 HA LYS A 77 1.794 -9.379 -7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.366 -8.381 -4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.706 -8.896 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.269 -11.106 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.783 -10.746 -5.687 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.962 -10.541 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.580 -9.940 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.623 -12.038 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.667 -12.429 -3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.243 -13.945 -3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.196 -12.657 -4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.365 -13.202 -2.655 1.00 0.00 H new ATOM 1267 N PHE A 78 0.591 -6.388 -6.571 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.528 -5.488 -6.830 1.00 0.00 C ATOM 1269 C PHE A 78 -1.192 -5.778 -8.151 1.00 0.00 C ATOM 1270 O PHE A 78 -0.714 -6.592 -8.939 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.058 -4.044 -6.835 1.00 0.00 C ATOM 1272 CG PHE A 78 0.795 -3.696 -5.674 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.555 -4.259 -4.442 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.849 -2.824 -5.826 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.361 -3.957 -3.367 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.659 -2.509 -4.759 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.416 -3.081 -3.523 1.00 0.00 C ATOM 0 H PHE A 78 1.433 -5.921 -6.233 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.251 -5.649 -6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.497 -3.854 -7.754 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.928 -3.387 -6.847 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.272 -4.943 -4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.042 -2.382 -6.792 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.168 -4.405 -2.403 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.480 -1.819 -4.886 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.050 -2.843 -2.682 1.00 0.00 H new ATOM 1287 N SER A 79 -2.287 -5.066 -8.389 1.00 0.00 N ATOM 1288 CA SER A 79 -3.049 -5.182 -9.624 1.00 0.00 C ATOM 1289 C SER A 79 -4.546 -5.111 -9.366 1.00 0.00 C ATOM 1290 O SER A 79 -5.280 -4.495 -10.139 1.00 0.00 O ATOM 1291 CB SER A 79 -2.728 -6.478 -10.380 1.00 0.00 C ATOM 1292 OG SER A 79 -3.712 -6.755 -11.362 1.00 0.00 O ATOM 0 H SER A 79 -2.672 -4.391 -7.729 1.00 0.00 H new ATOM 0 HA SER A 79 -2.752 -4.335 -10.243 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.750 -6.393 -10.855 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.669 -7.308 -9.676 1.00 0.00 H new ATOM 0 HG SER A 79 -3.483 -7.585 -11.830 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.044 -5.786 -8.317 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.457 -5.828 -8.027 1.00 0.00 C ATOM 1300 C PRO A 80 -6.936 -4.876 -6.948 1.00 0.00 C ATOM 1301 O PRO A 80 -7.511 -3.832 -7.258 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.647 -7.281 -7.600 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.313 -7.712 -7.043 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.306 -6.630 -7.379 1.00 0.00 C ATOM 0 HA PRO A 80 -7.044 -5.507 -8.888 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.433 -7.371 -6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.940 -7.904 -8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.376 -7.855 -5.964 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.008 -8.666 -7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.996 -6.076 -6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.403 -7.043 -7.829 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.723 -5.218 -5.686 1.00 0.00 N ATOM 1313 CA LEU A 81 -7.176 -4.350 -4.622 1.00 0.00 C ATOM 1314 C LEU A 81 -6.043 -3.440 -4.197 1.00 0.00 C ATOM 1315 O LEU A 81 -6.163 -2.659 -3.254 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.715 -5.169 -3.456 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.215 -5.463 -3.521 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -10.018 -4.174 -3.396 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.561 -6.183 -4.816 1.00 0.00 C ATOM 0 H LEU A 81 -6.251 -6.070 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.996 -3.728 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.175 -6.115 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.502 -4.638 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.475 -6.113 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.083 -4.402 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.792 -3.696 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.754 -3.500 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.632 -6.384 -4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.286 -5.557 -5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.013 -7.124 -4.867 1.00 0.00 H new ATOM 1331 N THR A 82 -4.946 -3.547 -4.932 1.00 0.00 N ATOM 1332 CA THR A 82 -3.777 -2.744 -4.687 1.00 0.00 C ATOM 1333 C THR A 82 -3.497 -1.844 -5.880 1.00 0.00 C ATOM 1334 O THR A 82 -2.590 -1.015 -5.839 1.00 0.00 O ATOM 1335 CB THR A 82 -2.577 -3.632 -4.397 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.982 -4.978 -4.219 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.840 -3.203 -3.149 1.00 0.00 C ATOM 0 H THR A 82 -4.850 -4.196 -5.713 1.00 0.00 H new ATOM 0 HA THR A 82 -3.961 -2.116 -3.815 1.00 0.00 H new ATOM 0 HB THR A 82 -1.913 -3.539 -5.257 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.180 -5.137 -3.273 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.991 -3.866 -2.982 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.483 -2.180 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.513 -3.253 -2.293 1.00 0.00 H new ATOM 1345 N SER A 83 -4.290 -1.991 -6.945 1.00 0.00 N ATOM 1346 CA SER A 83 -4.109 -1.161 -8.121 1.00 0.00 C ATOM 1347 C SER A 83 -4.912 0.128 -7.986 1.00 0.00 C ATOM 1348 O SER A 83 -5.337 0.726 -8.974 1.00 0.00 O ATOM 1349 CB SER A 83 -4.524 -1.903 -9.386 1.00 0.00 C ATOM 1350 OG SER A 83 -3.394 -2.346 -10.112 1.00 0.00 O ATOM 0 H SER A 83 -5.050 -2.668 -7.010 1.00 0.00 H new ATOM 0 HA SER A 83 -3.050 -0.916 -8.200 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.148 -2.757 -9.122 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.129 -1.248 -10.013 1.00 0.00 H new ATOM 0 HG SER A 83 -3.652 -2.526 -11.040 1.00 0.00 H new ATOM 1356 N ASN A 84 -5.092 0.543 -6.746 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.816 1.756 -6.410 1.00 0.00 C ATOM 1358 C ASN A 84 -5.113 2.375 -5.225 1.00 0.00 C ATOM 1359 O ASN A 84 -4.804 3.566 -5.209 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.276 1.447 -6.070 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.130 2.699 -5.997 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.690 3.786 -6.370 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -9.357 2.550 -5.513 1.00 0.00 N ATOM 0 H ASN A 84 -4.735 0.041 -5.933 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.827 2.442 -7.257 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.687 0.774 -6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.321 0.924 -5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.977 3.356 -5.438 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.680 1.629 -5.216 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.804 1.519 -4.257 1.00 0.00 N ATOM 1371 CA LEU A 85 -4.066 1.932 -3.089 1.00 0.00 C ATOM 1372 C LEU A 85 -2.667 2.343 -3.526 1.00 0.00 C ATOM 1373 O LEU A 85 -1.979 3.082 -2.822 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.985 0.786 -2.075 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.093 1.055 -0.858 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.804 0.660 0.427 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -1.774 0.307 -0.988 1.00 0.00 C ATOM 0 H LEU A 85 -5.059 0.531 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.571 2.771 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.992 0.560 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.618 -0.104 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.882 2.124 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.154 0.859 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.722 1.240 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.047 -0.402 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.153 0.510 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.968 -0.764 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.255 0.638 -1.887 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.251 1.859 -4.705 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.939 2.188 -5.225 1.00 0.00 C ATOM 1391 C ILE A 86 -0.846 3.678 -5.541 1.00 0.00 C ATOM 1392 O ILE A 86 0.069 4.364 -5.085 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.596 1.342 -6.478 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.429 0.270 -6.112 1.00 0.00 C ATOM 1395 CG2 ILE A 86 -0.074 2.205 -7.620 1.00 0.00 C ATOM 1396 CD1 ILE A 86 -0.048 -0.669 -5.029 1.00 0.00 C ATOM 0 H ILE A 86 -2.805 1.246 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.207 1.949 -4.454 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.514 0.867 -6.824 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.673 -0.308 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.349 0.754 -5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.154 1.573 -8.478 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.832 2.937 -7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.830 2.723 -7.300 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.728 -1.405 -4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.265 -0.101 -4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.951 -1.180 -5.362 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.803 4.172 -6.317 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.831 5.581 -6.683 1.00 0.00 C ATOM 1410 C ASN A 87 -2.116 6.441 -5.458 1.00 0.00 C ATOM 1411 O ASN A 87 -1.607 7.554 -5.335 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.891 5.832 -7.758 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.401 5.481 -9.148 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.362 5.968 -9.594 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.147 4.630 -9.842 1.00 0.00 N ATOM 0 H ASN A 87 -2.568 3.619 -6.704 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.854 5.853 -7.084 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.781 5.245 -7.531 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.187 6.881 -7.734 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.866 4.356 -10.783 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.001 4.250 -9.434 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.929 5.909 -4.551 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.283 6.621 -3.330 1.00 0.00 C ATOM 1424 C LEU A 88 -2.075 6.756 -2.411 1.00 0.00 C ATOM 1425 O LEU A 88 -1.916 7.767 -1.726 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.416 5.894 -2.602 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.503 6.803 -2.022 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.879 6.190 -2.226 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.245 7.062 -0.545 1.00 0.00 C ATOM 0 H LEU A 88 -3.355 4.986 -4.639 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.620 7.620 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.882 5.193 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.987 5.304 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.473 7.756 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.638 6.851 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.063 6.056 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.924 5.223 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.026 7.710 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.248 6.116 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.276 7.546 -0.424 1.00 0.00 H new ATOM 1441 N LEU A 89 -1.222 5.737 -2.401 1.00 0.00 N ATOM 1442 CA LEU A 89 -0.030 5.759 -1.565 1.00 0.00 C ATOM 1443 C LEU A 89 1.085 6.557 -2.233 1.00 0.00 C ATOM 1444 O LEU A 89 1.976 7.079 -1.565 1.00 0.00 O ATOM 1445 CB LEU A 89 0.440 4.335 -1.268 1.00 0.00 C ATOM 1446 CG LEU A 89 0.041 3.806 0.108 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.276 2.304 0.197 1.00 0.00 C ATOM 1448 CD2 LEU A 89 0.809 4.538 1.197 1.00 0.00 C ATOM 0 H LEU A 89 -1.334 4.891 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.283 6.246 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.037 3.668 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.526 4.300 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.024 3.989 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.015 1.948 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.321 1.797 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.332 2.090 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.515 4.151 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.879 4.385 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.585 5.604 1.147 1.00 0.00 H new ATOM 1460 N ALA A 90 1.026 6.650 -3.558 1.00 0.00 N ATOM 1461 CA ALA A 90 2.028 7.387 -4.317 1.00 0.00 C ATOM 1462 C ALA A 90 1.521 8.772 -4.717 1.00 0.00 C ATOM 1463 O ALA A 90 2.219 9.518 -5.405 1.00 0.00 O ATOM 1464 CB ALA A 90 2.437 6.598 -5.550 1.00 0.00 C ATOM 0 H ALA A 90 0.295 6.224 -4.127 1.00 0.00 H new ATOM 0 HA ALA A 90 2.899 7.525 -3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.186 7.159 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.855 5.638 -5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.564 6.430 -6.181 1.00 0.00 H new ATOM 1470 N GLU A 91 0.308 9.118 -4.286 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.270 10.418 -4.608 1.00 0.00 C ATOM 1472 C GLU A 91 -0.188 11.356 -3.410 1.00 0.00 C ATOM 1473 O GLU A 91 0.487 12.386 -3.459 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.726 10.261 -5.053 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.427 11.581 -5.332 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.641 11.420 -6.226 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.682 10.938 -5.731 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -3.551 11.775 -7.419 1.00 0.00 O ATOM 0 H GLU A 91 -0.289 8.518 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 91 0.304 10.851 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.757 9.646 -5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.277 9.724 -4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.733 12.032 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.724 12.269 -5.801 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.876 10.993 -2.334 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.879 11.802 -1.121 1.00 0.00 C ATOM 1487 C ASN A 92 0.533 11.956 -0.563 1.00 0.00 C ATOM 1488 O ASN A 92 0.826 12.912 0.154 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.791 11.173 -0.067 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.339 12.197 0.909 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -1.979 12.205 2.086 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.215 13.068 0.422 1.00 0.00 N ATOM 0 H ASN A 92 -1.439 10.144 -2.277 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.258 12.792 -1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.620 10.668 -0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.236 10.412 0.482 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.618 13.781 1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.485 13.025 -0.561 1.00 0.00 H new ATOM 1499 N GLY A 93 1.404 11.008 -0.895 1.00 0.00 N ATOM 1500 CA GLY A 93 2.772 11.058 -0.415 1.00 0.00 C ATOM 1501 C GLY A 93 2.957 10.298 0.882 1.00 0.00 C ATOM 1502 O GLY A 93 3.633 10.770 1.796 1.00 0.00 O ATOM 0 H GLY A 93 1.186 10.207 -1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.436 10.643 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.065 12.098 -0.269 1.00 0.00 H new ATOM 1506 N ARG A 94 2.351 9.118 0.964 1.00 0.00 N ATOM 1507 CA ARG A 94 2.447 8.292 2.161 1.00 0.00 C ATOM 1508 C ARG A 94 3.522 7.220 2.003 1.00 0.00 C ATOM 1509 O ARG A 94 3.449 6.160 2.626 1.00 0.00 O ATOM 1510 CB ARG A 94 1.097 7.638 2.463 1.00 0.00 C ATOM 1511 CG ARG A 94 0.242 8.430 3.439 1.00 0.00 C ATOM 1512 CD ARG A 94 0.897 8.518 4.808 1.00 0.00 C ATOM 1513 NE ARG A 94 1.655 9.757 4.974 1.00 0.00 N ATOM 1514 CZ ARG A 94 2.104 10.200 6.146 1.00 0.00 C ATOM 1515 NH1 ARG A 94 1.874 9.510 7.257 1.00 0.00 N ATOM 1516 NH2 ARG A 94 2.785 11.335 6.208 1.00 0.00 N ATOM 0 H ARG A 94 1.789 8.713 0.216 1.00 0.00 H new ATOM 0 HA ARG A 94 2.726 8.937 2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.547 7.512 1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.268 6.641 2.869 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.077 9.434 3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.737 7.959 3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.131 8.455 5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.561 7.665 4.948 1.00 0.00 H new ATOM 0 HE ARG A 94 1.851 10.315 4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.351 8.635 7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 94 2.221 9.855 8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.965 11.869 5.358 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.129 11.675 7.106 1.00 0.00 H new ATOM 1530 N LEU A 95 4.522 7.501 1.173 1.00 0.00 N ATOM 1531 CA LEU A 95 5.611 6.559 0.945 1.00 0.00 C ATOM 1532 C LEU A 95 6.793 6.873 1.855 1.00 0.00 C ATOM 1533 O LEU A 95 7.942 6.921 1.413 1.00 0.00 O ATOM 1534 CB LEU A 95 6.047 6.587 -0.522 1.00 0.00 C ATOM 1535 CG LEU A 95 5.040 5.993 -1.510 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.620 5.971 -2.916 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.630 4.592 -1.080 1.00 0.00 C ATOM 0 H LEU A 95 4.600 8.372 0.648 1.00 0.00 H new ATOM 0 HA LEU A 95 5.251 5.558 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.245 7.620 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.988 6.045 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 95 4.152 6.624 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.890 5.545 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.861 6.988 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.525 5.364 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.914 4.187 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.510 3.950 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.172 4.634 -0.092 1.00 0.00 H new ATOM 1549 N THR A 96 6.495 7.078 3.131 1.00 0.00 N ATOM 1550 CA THR A 96 7.515 7.381 4.127 1.00 0.00 C ATOM 1551 C THR A 96 7.290 6.537 5.374 1.00 0.00 C ATOM 1552 O THR A 96 8.229 5.974 5.939 1.00 0.00 O ATOM 1553 CB THR A 96 7.487 8.868 4.486 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.254 9.214 5.092 1.00 0.00 O ATOM 1555 CG2 THR A 96 7.682 9.777 3.292 1.00 0.00 C ATOM 0 H THR A 96 5.546 7.039 3.503 1.00 0.00 H new ATOM 0 HA THR A 96 8.493 7.144 3.709 1.00 0.00 H new ATOM 0 HB THR A 96 8.321 9.014 5.173 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.296 9.023 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.651 10.817 3.617 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.648 9.570 2.831 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.888 9.600 2.567 1.00 0.00 H new ATOM 1563 N ASN A 97 6.030 6.439 5.783 1.00 0.00 N ATOM 1564 CA ASN A 97 5.655 5.650 6.947 1.00 0.00 C ATOM 1565 C ASN A 97 4.689 4.539 6.543 1.00 0.00 C ATOM 1566 O ASN A 97 3.995 3.968 7.384 1.00 0.00 O ATOM 1567 CB ASN A 97 5.013 6.541 8.013 1.00 0.00 C ATOM 1568 CG ASN A 97 6.006 7.500 8.639 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.188 8.658 8.013 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 6.604 7.206 9.675 1.00 0.00 N flip ATOM 0 H ASN A 97 5.247 6.901 5.321 1.00 0.00 H new ATOM 0 HA ASN A 97 6.556 5.200 7.364 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.197 7.108 7.565 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.577 5.915 8.791 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.435 6.306 10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.269 7.863 10.084 1.00 0.00 H new ATOM 1577 N THR A 98 4.651 4.242 5.243 1.00 0.00 N ATOM 1578 CA THR A 98 3.777 3.206 4.706 1.00 0.00 C ATOM 1579 C THR A 98 3.796 1.941 5.565 1.00 0.00 C ATOM 1580 O THR A 98 2.745 1.462 5.990 1.00 0.00 O ATOM 1581 CB THR A 98 4.187 2.872 3.273 1.00 0.00 C ATOM 1582 OG1 THR A 98 4.831 3.976 2.666 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.019 2.485 2.395 1.00 0.00 C ATOM 0 H THR A 98 5.222 4.711 4.540 1.00 0.00 H new ATOM 0 HA THR A 98 2.758 3.594 4.715 1.00 0.00 H new ATOM 0 HB THR A 98 4.860 2.019 3.355 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.303 4.787 2.819 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.378 2.260 1.391 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.527 1.605 2.810 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.308 3.310 2.350 1.00 0.00 H new ATOM 1591 N PRO A 99 4.989 1.374 5.838 1.00 0.00 N ATOM 1592 CA PRO A 99 5.122 0.164 6.651 1.00 0.00 C ATOM 1593 C PRO A 99 4.242 0.203 7.897 1.00 0.00 C ATOM 1594 O PRO A 99 3.802 -0.835 8.391 1.00 0.00 O ATOM 1595 CB PRO A 99 6.610 0.135 7.038 1.00 0.00 C ATOM 1596 CG PRO A 99 7.208 1.394 6.490 1.00 0.00 C ATOM 1597 CD PRO A 99 6.299 1.854 5.387 1.00 0.00 C ATOM 0 HA PRO A 99 4.802 -0.724 6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.730 0.086 8.120 1.00 0.00 H new ATOM 0 HB3 PRO A 99 7.103 -0.744 6.622 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.291 2.154 7.267 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.215 1.213 6.113 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.317 2.938 5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.579 1.426 4.425 1.00 0.00 H new ATOM 1605 N ALA A 100 3.983 1.407 8.394 1.00 0.00 N ATOM 1606 CA ALA A 100 3.147 1.580 9.576 1.00 0.00 C ATOM 1607 C ALA A 100 1.678 1.355 9.237 1.00 0.00 C ATOM 1608 O ALA A 100 0.937 0.753 10.014 1.00 0.00 O ATOM 1609 CB ALA A 100 3.351 2.966 10.167 1.00 0.00 C ATOM 0 H ALA A 100 4.339 2.277 7.998 1.00 0.00 H new ATOM 0 HA ALA A 100 3.442 0.837 10.317 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.721 3.082 11.049 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.396 3.091 10.449 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.082 3.720 9.427 1.00 0.00 H new ATOM 1615 N VAL A 101 1.266 1.838 8.070 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.112 1.683 7.623 1.00 0.00 C ATOM 1617 C VAL A 101 -0.408 0.228 7.271 1.00 0.00 C ATOM 1618 O VAL A 101 -1.550 -0.222 7.361 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.409 2.567 6.396 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.885 2.502 6.031 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.020 4.003 6.657 1.00 0.00 C ATOM 0 H VAL A 101 1.867 2.340 7.417 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.752 1.996 8.448 1.00 0.00 H new ATOM 0 HB VAL A 101 0.166 2.187 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.073 3.133 5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.157 1.473 5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.483 2.854 6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.197 4.613 5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.525 4.395 7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.090 4.031 6.863 1.00 0.00 H new ATOM 1631 N ILE A 102 0.630 -0.501 6.874 1.00 0.00 N ATOM 1632 CA ILE A 102 0.484 -1.904 6.510 1.00 0.00 C ATOM 1633 C ILE A 102 0.211 -2.764 7.739 1.00 0.00 C ATOM 1634 O ILE A 102 -0.534 -3.742 7.669 1.00 0.00 O ATOM 1635 CB ILE A 102 1.743 -2.432 5.793 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.122 -1.504 4.637 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.516 -3.851 5.291 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.406 -1.898 3.941 1.00 0.00 C ATOM 0 H ILE A 102 1.582 -0.142 6.796 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.365 -1.969 5.830 1.00 0.00 H new ATOM 0 HB ILE A 102 2.568 -2.451 6.506 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.311 -1.495 3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.221 -0.487 5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.415 -4.207 4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.290 -4.503 6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.681 -3.860 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.612 -1.196 3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.228 -1.879 4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.304 -2.903 3.532 1.00 0.00 H new ATOM 1650 N SER A 103 0.814 -2.393 8.864 1.00 0.00 N ATOM 1651 CA SER A 103 0.627 -3.134 10.106 1.00 0.00 C ATOM 1652 C SER A 103 -0.841 -3.143 10.513 1.00 0.00 C ATOM 1653 O SER A 103 -1.348 -4.142 11.022 1.00 0.00 O ATOM 1654 CB SER A 103 1.478 -2.526 11.223 1.00 0.00 C ATOM 1655 OG SER A 103 2.760 -3.125 11.274 1.00 0.00 O ATOM 0 H SER A 103 1.434 -1.587 8.941 1.00 0.00 H new ATOM 0 HA SER A 103 0.946 -4.163 9.940 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.581 -1.453 11.062 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.974 -2.658 12.180 1.00 0.00 H new ATOM 0 HG SER A 103 3.283 -2.717 11.995 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.520 -2.025 10.279 1.00 0.00 N ATOM 1662 CA ALA A 104 -2.932 -1.910 10.616 1.00 0.00 C ATOM 1663 C ALA A 104 -3.756 -2.931 9.840 1.00 0.00 C ATOM 1664 O ALA A 104 -4.708 -3.503 10.365 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.430 -0.500 10.334 1.00 0.00 C ATOM 0 H ALA A 104 -1.116 -1.188 9.858 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.049 -2.114 11.680 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.487 -0.429 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.863 0.213 10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.298 -0.272 9.276 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.376 -3.157 8.587 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.072 -4.113 7.731 1.00 0.00 C ATOM 1673 C PHE A 105 -4.144 -5.484 8.388 1.00 0.00 C ATOM 1674 O PHE A 105 -5.153 -6.182 8.284 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.353 -4.235 6.388 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.275 -4.423 5.215 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.693 -5.690 4.827 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.712 -3.330 4.488 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.521 -5.855 3.741 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.543 -3.493 3.403 1.00 0.00 C ATOM 1681 CZ PHE A 105 -5.946 -4.757 3.030 1.00 0.00 C ATOM 0 H PHE A 105 -2.587 -2.690 8.140 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.086 -3.746 7.574 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.754 -3.339 6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.662 -5.077 6.433 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.364 -6.555 5.384 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.397 -2.338 4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -5.837 -6.845 3.447 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.879 -2.632 2.845 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.597 -4.886 2.178 1.00 0.00 H new ATOM 1691 N SER A 106 -3.060 -5.873 9.049 1.00 0.00 N ATOM 1692 CA SER A 106 -2.998 -7.172 9.704 1.00 0.00 C ATOM 1693 C SER A 106 -3.882 -7.222 10.944 1.00 0.00 C ATOM 1694 O SER A 106 -4.369 -8.287 11.323 1.00 0.00 O ATOM 1695 CB SER A 106 -1.553 -7.515 10.073 1.00 0.00 C ATOM 1696 OG SER A 106 -1.305 -8.903 9.930 1.00 0.00 O ATOM 0 H SER A 106 -2.215 -5.309 9.145 1.00 0.00 H new ATOM 0 HA SER A 106 -3.373 -7.913 8.998 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.869 -6.953 9.437 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.355 -7.211 11.101 1.00 0.00 H new ATOM 0 HG SER A 106 -0.375 -9.096 10.170 1.00 0.00 H new ATOM 1702 N THR A 107 -4.094 -6.074 11.573 1.00 0.00 N ATOM 1703 CA THR A 107 -4.930 -6.015 12.764 1.00 0.00 C ATOM 1704 C THR A 107 -6.366 -5.690 12.393 1.00 0.00 C ATOM 1705 O THR A 107 -7.301 -6.076 13.096 1.00 0.00 O ATOM 1706 CB THR A 107 -4.389 -4.980 13.752 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.047 -5.271 14.099 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.188 -4.903 15.036 1.00 0.00 C ATOM 0 H THR A 107 -3.703 -5.178 11.282 1.00 0.00 H new ATOM 0 HA THR A 107 -4.909 -6.994 13.243 1.00 0.00 H new ATOM 0 HB THR A 107 -4.465 -4.022 13.237 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.719 -4.597 14.730 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.751 -4.150 15.692 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.219 -4.631 14.808 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.171 -5.872 15.534 1.00 0.00 H new ATOM 1716 N MET A 108 -6.544 -5.000 11.275 1.00 0.00 N ATOM 1717 CA MET A 108 -7.872 -4.655 10.813 1.00 0.00 C ATOM 1718 C MET A 108 -8.477 -5.827 10.060 1.00 0.00 C ATOM 1719 O MET A 108 -9.699 -5.955 9.976 1.00 0.00 O ATOM 1720 CB MET A 108 -7.824 -3.417 9.925 1.00 0.00 C ATOM 1721 CG MET A 108 -7.415 -2.154 10.667 1.00 0.00 C ATOM 1722 SD MET A 108 -8.469 -1.808 12.089 1.00 0.00 S ATOM 1723 CE MET A 108 -7.636 -0.386 12.790 1.00 0.00 C ATOM 0 H MET A 108 -5.786 -4.671 10.677 1.00 0.00 H new ATOM 0 HA MET A 108 -8.498 -4.430 11.677 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.124 -3.592 9.108 1.00 0.00 H new ATOM 0 HB3 MET A 108 -8.805 -3.263 9.476 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.382 -2.253 11.001 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.449 -1.308 9.981 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.170 -0.053 13.680 1.00 0.00 H new ATOM 0 HE2 MET A 108 -6.616 -0.659 13.060 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.614 0.421 12.057 1.00 0.00 H new ATOM 1733 N MET A 109 -7.620 -6.700 9.525 1.00 0.00 N ATOM 1734 CA MET A 109 -8.103 -7.863 8.804 1.00 0.00 C ATOM 1735 C MET A 109 -8.874 -8.771 9.753 1.00 0.00 C ATOM 1736 O MET A 109 -9.843 -9.419 9.357 1.00 0.00 O ATOM 1737 CB MET A 109 -6.943 -8.635 8.175 1.00 0.00 C ATOM 1738 CG MET A 109 -5.862 -9.027 9.164 1.00 0.00 C ATOM 1739 SD MET A 109 -5.199 -10.674 8.854 1.00 0.00 S ATOM 1740 CE MET A 109 -3.451 -10.393 9.124 1.00 0.00 C ATOM 0 H MET A 109 -6.605 -6.620 9.580 1.00 0.00 H new ATOM 0 HA MET A 109 -8.763 -7.525 8.005 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.333 -9.536 7.701 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.499 -8.027 7.387 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.052 -8.299 9.118 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.268 -8.988 10.175 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.909 -11.331 9.004 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.083 -9.666 8.400 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.295 -10.011 10.133 1.00 0.00 H new ATOM 1750 N SER A 110 -8.442 -8.805 11.015 1.00 0.00 N ATOM 1751 CA SER A 110 -9.105 -9.627 12.019 1.00 0.00 C ATOM 1752 C SER A 110 -10.569 -9.218 12.164 1.00 0.00 C ATOM 1753 O SER A 110 -11.398 -9.995 12.638 1.00 0.00 O ATOM 1754 CB SER A 110 -8.391 -9.501 13.366 1.00 0.00 C ATOM 1755 OG SER A 110 -7.397 -10.501 13.512 1.00 0.00 O ATOM 0 H SER A 110 -7.642 -8.276 11.361 1.00 0.00 H new ATOM 0 HA SER A 110 -9.063 -10.666 11.693 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.934 -8.515 13.448 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.117 -9.584 14.175 1.00 0.00 H new ATOM 0 HG SER A 110 -6.954 -10.398 14.380 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.877 -7.992 11.750 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.236 -7.474 11.828 1.00 0.00 C ATOM 1763 C VAL A 111 -13.099 -8.025 10.694 1.00 0.00 C ATOM 1764 O VAL A 111 -14.252 -8.400 10.909 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.243 -5.931 11.786 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -13.666 -5.392 11.728 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -11.505 -5.365 12.989 1.00 0.00 C ATOM 0 H VAL A 111 -10.200 -7.338 11.356 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.656 -7.801 12.779 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.727 -5.614 10.880 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -13.642 -4.303 11.699 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.161 -5.768 10.833 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -14.215 -5.719 12.611 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.519 -4.276 12.945 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -11.994 -5.697 13.905 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -10.473 -5.715 12.981 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.537 -8.078 9.489 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.267 -8.591 8.334 1.00 0.00 C ATOM 1779 C HIS A 112 -13.403 -10.109 8.415 1.00 0.00 C ATOM 1780 O HIS A 112 -14.387 -10.682 7.948 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.572 -8.183 7.026 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.362 -9.001 6.690 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.223 -10.322 6.430 1.00 0.00 N flip ATOM 1784 CD2 HIS A 112 -10.100 -8.464 6.594 1.00 0.00 C flip ATOM 1785 CE1 HIS A 112 -9.894 -10.555 6.193 1.00 0.00 C flip ATOM 1786 NE2 HIS A 112 -9.237 -9.419 6.296 1.00 0.00 N flip ATOM 0 H HIS A 112 -11.584 -7.774 9.288 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.266 -8.154 8.342 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.288 -8.262 6.208 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.280 -7.135 7.095 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -11.970 -11.016 6.414 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -9.852 -7.423 6.740 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -9.457 -11.514 5.960 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.406 -10.752 9.014 1.00 0.00 N ATOM 1796 CA ARG A 113 -12.410 -12.202 9.161 1.00 0.00 C ATOM 1797 C ARG A 113 -13.392 -12.633 10.246 1.00 0.00 C ATOM 1798 O ARG A 113 -13.968 -13.720 10.179 1.00 0.00 O ATOM 1799 CB ARG A 113 -11.005 -12.706 9.499 1.00 0.00 C ATOM 1800 CG ARG A 113 -10.184 -13.084 8.276 1.00 0.00 C ATOM 1801 CD ARG A 113 -8.703 -12.818 8.496 1.00 0.00 C ATOM 1802 NE ARG A 113 -8.134 -13.698 9.513 1.00 0.00 N ATOM 1803 CZ ARG A 113 -7.936 -15.002 9.339 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -8.258 -15.581 8.189 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -7.413 -15.730 10.316 1.00 0.00 N ATOM 0 H ARG A 113 -11.585 -10.291 9.406 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.726 -12.639 8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.476 -11.934 10.057 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.087 -13.574 10.154 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.335 -14.139 8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.532 -12.517 7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -8.167 -12.955 7.557 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -8.562 -11.779 8.795 1.00 0.00 H new ATOM 0 HE ARG A 113 -7.873 -13.289 10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.659 -15.026 7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.104 -16.581 8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.162 -15.290 11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.261 -16.730 10.182 1.00 0.00 H new