USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 SER OG : rot 86:sc= 0.302 USER MOD Set 1.2: A 87 ASN : amide:sc= -4.54! C(o=-4.2!,f=-7.7!) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -164:sc= 0.0156 (180deg=0) USER MOD Set 2.2: A 68 SER OG : rot 2:sc= -0.255 USER MOD Set 3.1: A 29 GLN : amide:sc= 0.364 K(o=0.97,f=-8.4!) USER MOD Set 3.2: A 31 LYS NZ :NH3+ -139:sc= 0.604 (180deg=-1.02) USER MOD Set 4.1: A 23 TYR OH : rot 155:sc= -2.05! USER MOD Set 4.2: A 27 SER OG : rot -110:sc= -1.15 USER MOD Set 4.3: A 112 HIS : no HD1:sc= -8.78! C(o=-12!,f=-13!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -177:sc= -3.79 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.25! C(o=-2.2!,f=-5.5!) USER MOD Single : A 34 GLN : amide:sc= -3.2 K(o=-3.2,f=-4.9!) USER MOD Single : A 37 LYS NZ :NH3+ 158:sc=-0.00686 (180deg=-0.365) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.35) 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 -156:sc= -2.79 (180deg=-3.21!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= -1.66 F(o=-3,f=-1.7) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -108:sc= -2.49 (180deg=-7.26!) USER MOD Single : A 73 THR OG1 : rot 54:sc= -5.13! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -95:sc= -0.838! USER MOD Single : A 82 THR OG1 : rot -70:sc= -2.49! USER MOD Single : A 83 SER OG : rot -55:sc= 1.17 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 91:sc= -0.0981 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 130:sc= -0.194 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -158:sc= -0.0999 (180deg=-0.575) USER MOD Single : A 109 MET CE :methyl -138:sc= -1.13 (180deg=-2.06!) USER MOD Single : A 110 SER OG : rot -51:sc= 0.439 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -2.042 4.284 15.313 1.00 0.00 N ATOM 194 CA TYR A 12 -2.260 5.228 14.218 1.00 0.00 C ATOM 195 C TYR A 12 -3.480 4.840 13.385 1.00 0.00 C ATOM 196 O TYR A 12 -3.369 4.108 12.402 1.00 0.00 O ATOM 197 CB TYR A 12 -1.006 5.312 13.325 1.00 0.00 C ATOM 198 CG TYR A 12 -0.035 4.159 13.516 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.501 3.877 14.769 1.00 0.00 C ATOM 200 CD2 TYR A 12 0.319 3.337 12.455 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.356 2.814 14.959 1.00 0.00 C ATOM 202 CE2 TYR A 12 1.183 2.272 12.636 1.00 0.00 C ATOM 203 CZ TYR A 12 1.697 2.014 13.890 1.00 0.00 C ATOM 204 OH TYR A 12 2.550 0.951 14.075 1.00 0.00 O ATOM 0 HA TYR A 12 -2.450 6.209 14.654 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.317 5.343 12.281 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.488 6.248 13.531 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.241 4.504 15.609 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.086 3.532 11.473 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.757 2.609 15.941 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.454 1.645 11.799 1.00 0.00 H new ATOM 0 HH TYR A 12 2.687 0.489 13.222 1.00 0.00 H new ATOM 214 N GLY A 13 -4.643 5.336 13.794 1.00 0.00 N ATOM 215 CA GLY A 13 -5.872 5.034 13.086 1.00 0.00 C ATOM 216 C GLY A 13 -5.943 5.691 11.721 1.00 0.00 C ATOM 217 O GLY A 13 -6.519 5.132 10.789 1.00 0.00 O ATOM 0 H GLY A 13 -4.756 5.943 14.606 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.962 3.954 12.969 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.721 5.362 13.686 1.00 0.00 H new ATOM 221 N ILE A 14 -5.361 6.880 11.600 1.00 0.00 N ATOM 222 CA ILE A 14 -5.371 7.605 10.334 1.00 0.00 C ATOM 223 C ILE A 14 -4.602 6.844 9.259 1.00 0.00 C ATOM 224 O ILE A 14 -5.092 6.666 8.144 1.00 0.00 O ATOM 225 CB ILE A 14 -4.780 9.023 10.482 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.889 9.791 9.162 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.331 8.953 10.940 1.00 0.00 C ATOM 228 CD1 ILE A 14 -6.287 9.804 8.579 1.00 0.00 C ATOM 0 H ILE A 14 -4.878 7.360 12.360 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.414 7.695 10.032 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.354 9.557 11.239 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.562 10.818 9.322 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.206 9.348 8.437 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.931 9.962 11.039 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.278 8.446 11.903 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.744 8.400 10.206 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.287 10.366 7.645 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.611 8.781 8.387 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.971 10.274 9.285 1.00 0.00 H new ATOM 240 N GLU A 15 -3.400 6.391 9.599 1.00 0.00 N ATOM 241 CA GLU A 15 -2.579 5.643 8.656 1.00 0.00 C ATOM 242 C GLU A 15 -3.166 4.258 8.436 1.00 0.00 C ATOM 243 O GLU A 15 -3.136 3.727 7.326 1.00 0.00 O ATOM 244 CB GLU A 15 -1.140 5.536 9.163 1.00 0.00 C ATOM 245 CG GLU A 15 -0.223 6.621 8.621 1.00 0.00 C ATOM 246 CD GLU A 15 0.677 7.212 9.688 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.178 6.444 10.534 1.00 0.00 O ATOM 248 OE2 GLU A 15 0.878 8.445 9.678 1.00 0.00 O ATOM 0 H GLU A 15 -2.975 6.528 10.516 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.569 6.176 7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.142 5.584 10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.738 4.561 8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.391 6.206 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.826 7.414 8.180 1.00 0.00 H new ATOM 255 N GLY A 16 -3.716 3.684 9.499 1.00 0.00 N ATOM 256 CA GLY A 16 -4.322 2.373 9.397 1.00 0.00 C ATOM 257 C GLY A 16 -5.630 2.425 8.638 1.00 0.00 C ATOM 258 O GLY A 16 -5.998 1.472 7.954 1.00 0.00 O ATOM 0 H GLY A 16 -3.753 4.103 10.428 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.635 1.692 8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.495 1.972 10.396 1.00 0.00 H new ATOM 262 N ARG A 17 -6.328 3.553 8.755 1.00 0.00 N ATOM 263 CA ARG A 17 -7.600 3.740 8.070 1.00 0.00 C ATOM 264 C ARG A 17 -7.398 3.750 6.559 1.00 0.00 C ATOM 265 O ARG A 17 -8.285 3.356 5.803 1.00 0.00 O ATOM 266 CB ARG A 17 -8.261 5.044 8.519 1.00 0.00 C ATOM 267 CG ARG A 17 -9.604 5.305 7.860 1.00 0.00 C ATOM 268 CD ARG A 17 -10.528 6.097 8.771 1.00 0.00 C ATOM 269 NE ARG A 17 -10.902 5.341 9.963 1.00 0.00 N ATOM 270 CZ ARG A 17 -11.826 4.381 9.973 1.00 0.00 C ATOM 271 NH1 ARG A 17 -12.470 4.060 8.859 1.00 0.00 N ATOM 272 NH2 ARG A 17 -12.105 3.742 11.101 1.00 0.00 N ATOM 0 H ARG A 17 -6.032 4.350 9.319 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.254 2.907 8.329 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.395 5.020 9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.591 5.875 8.300 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.453 5.852 6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.073 4.356 7.600 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.037 7.023 9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.427 6.375 8.222 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.428 5.561 10.839 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.259 4.549 7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.176 3.324 8.872 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.612 3.985 11.960 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.812 3.007 11.109 1.00 0.00 H new ATOM 286 N TYR A 18 -6.222 4.197 6.125 1.00 0.00 N ATOM 287 CA TYR A 18 -5.904 4.247 4.702 1.00 0.00 C ATOM 288 C TYR A 18 -6.112 2.882 4.064 1.00 0.00 C ATOM 289 O TYR A 18 -6.775 2.756 3.034 1.00 0.00 O ATOM 290 CB TYR A 18 -4.455 4.697 4.501 1.00 0.00 C ATOM 291 CG TYR A 18 -4.314 6.123 4.025 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.654 7.188 4.848 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.832 6.404 2.753 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.520 8.493 4.419 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.693 7.707 2.314 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.038 8.748 3.151 1.00 0.00 C ATOM 297 OH TYR A 18 -3.902 10.047 2.719 1.00 0.00 O ATOM 0 H TYR A 18 -5.476 4.529 6.737 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.571 4.965 4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.917 4.584 5.442 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.977 4.035 3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.030 6.992 5.841 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.561 5.591 2.096 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.791 9.310 5.072 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.317 7.909 1.322 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.549 10.052 1.805 1.00 0.00 H new ATOM 307 N ALA A 19 -5.546 1.861 4.693 1.00 0.00 N ATOM 308 CA ALA A 19 -5.671 0.500 4.198 1.00 0.00 C ATOM 309 C ALA A 19 -7.085 -0.017 4.407 1.00 0.00 C ATOM 310 O ALA A 19 -7.594 -0.802 3.608 1.00 0.00 O ATOM 311 CB ALA A 19 -4.662 -0.405 4.888 1.00 0.00 C ATOM 0 H ALA A 19 -4.996 1.951 5.547 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.463 0.499 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.766 -1.422 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.653 -0.044 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.843 -0.399 5.963 1.00 0.00 H new ATOM 317 N THR A 20 -7.724 0.439 5.479 1.00 0.00 N ATOM 318 CA THR A 20 -9.087 0.026 5.775 1.00 0.00 C ATOM 319 C THR A 20 -10.058 0.663 4.794 1.00 0.00 C ATOM 320 O THR A 20 -11.110 0.098 4.497 1.00 0.00 O ATOM 321 CB THR A 20 -9.470 0.385 7.209 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.329 0.761 7.957 1.00 0.00 O ATOM 323 CG2 THR A 20 -10.140 -0.757 7.938 1.00 0.00 C ATOM 0 H THR A 20 -7.321 1.091 6.152 1.00 0.00 H new ATOM 0 HA THR A 20 -9.142 -1.058 5.671 1.00 0.00 H new ATOM 0 HB THR A 20 -10.172 1.215 7.127 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.591 0.942 8.884 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.390 -0.445 8.952 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.051 -1.041 7.411 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.463 -1.610 7.978 1.00 0.00 H new ATOM 331 N ALA A 21 -9.698 1.836 4.281 1.00 0.00 N ATOM 332 CA ALA A 21 -10.547 2.524 3.321 1.00 0.00 C ATOM 333 C ALA A 21 -10.292 2.018 1.907 1.00 0.00 C ATOM 334 O ALA A 21 -10.909 2.487 0.950 1.00 0.00 O ATOM 335 CB ALA A 21 -10.336 4.028 3.403 1.00 0.00 C ATOM 0 H ALA A 21 -8.833 2.324 4.513 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.586 2.310 3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.979 4.526 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.583 4.376 4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.294 4.262 3.184 1.00 0.00 H new ATOM 341 N LEU A 22 -9.401 1.039 1.783 1.00 0.00 N ATOM 342 CA LEU A 22 -9.094 0.449 0.488 1.00 0.00 C ATOM 343 C LEU A 22 -9.501 -1.001 0.512 1.00 0.00 C ATOM 344 O LEU A 22 -10.112 -1.510 -0.429 1.00 0.00 O ATOM 345 CB LEU A 22 -7.608 0.589 0.159 1.00 0.00 C ATOM 346 CG LEU A 22 -7.164 -0.109 -1.129 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.787 0.912 -2.192 1.00 0.00 C ATOM 348 CD2 LEU A 22 -6.002 -1.051 -0.852 1.00 0.00 C ATOM 0 H LEU A 22 -8.880 0.639 2.564 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.648 0.974 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.366 1.649 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.028 0.189 0.990 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.000 -0.698 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.474 0.394 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.648 1.543 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.968 1.531 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.700 -1.538 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.162 -0.484 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.310 -1.806 -0.129 1.00 0.00 H new ATOM 360 N TYR A 23 -9.201 -1.652 1.619 1.00 0.00 N ATOM 361 CA TYR A 23 -9.577 -3.025 1.797 1.00 0.00 C ATOM 362 C TYR A 23 -11.060 -3.084 2.160 1.00 0.00 C ATOM 363 O TYR A 23 -11.698 -4.121 2.004 1.00 0.00 O ATOM 364 CB TYR A 23 -8.699 -3.676 2.867 1.00 0.00 C ATOM 365 CG TYR A 23 -9.451 -4.158 4.076 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.322 -5.231 3.987 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.295 -3.534 5.301 1.00 0.00 C ATOM 368 CE1 TYR A 23 -11.022 -5.671 5.086 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.987 -3.963 6.404 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.854 -5.030 6.297 1.00 0.00 C ATOM 371 OH TYR A 23 -11.549 -5.457 7.399 1.00 0.00 O ATOM 0 H TYR A 23 -8.696 -1.244 2.406 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.424 -3.584 0.874 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.170 -4.519 2.423 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.943 -2.958 3.186 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.454 -5.731 3.039 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.618 -2.697 5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.697 -6.510 5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.854 -3.467 7.354 1.00 0.00 H new ATOM 0 HH TYR A 23 -11.058 -5.211 8.211 1.00 0.00 H new ATOM 381 N SER A 24 -11.620 -1.952 2.619 1.00 0.00 N ATOM 382 CA SER A 24 -13.038 -1.900 2.959 1.00 0.00 C ATOM 383 C SER A 24 -13.844 -2.480 1.806 1.00 0.00 C ATOM 384 O SER A 24 -14.843 -3.172 2.007 1.00 0.00 O ATOM 385 CB SER A 24 -13.474 -0.461 3.247 1.00 0.00 C ATOM 386 OG SER A 24 -14.854 -0.278 2.981 1.00 0.00 O ATOM 0 H SER A 24 -11.115 -1.077 2.759 1.00 0.00 H new ATOM 0 HA SER A 24 -13.215 -2.487 3.860 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.267 -0.218 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.889 0.227 2.637 1.00 0.00 H new ATOM 0 HG SER A 24 -15.104 0.649 3.175 1.00 0.00 H new ATOM 392 N ALA A 25 -13.363 -2.223 0.593 1.00 0.00 N ATOM 393 CA ALA A 25 -13.990 -2.746 -0.606 1.00 0.00 C ATOM 394 C ALA A 25 -13.549 -4.188 -0.805 1.00 0.00 C ATOM 395 O ALA A 25 -14.319 -5.031 -1.266 1.00 0.00 O ATOM 396 CB ALA A 25 -13.626 -1.899 -1.816 1.00 0.00 C ATOM 0 H ALA A 25 -12.536 -1.652 0.419 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.074 -2.711 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.106 -2.308 -2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.966 -0.875 -1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.545 -1.906 -1.953 1.00 0.00 H new ATOM 402 N ALA A 26 -12.302 -4.466 -0.423 1.00 0.00 N ATOM 403 CA ALA A 26 -11.757 -5.812 -0.527 1.00 0.00 C ATOM 404 C ALA A 26 -12.448 -6.745 0.464 1.00 0.00 C ATOM 405 O ALA A 26 -12.504 -7.955 0.258 1.00 0.00 O ATOM 406 CB ALA A 26 -10.255 -5.796 -0.281 1.00 0.00 C ATOM 0 H ALA A 26 -11.655 -3.776 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.940 -6.182 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.862 -6.810 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.772 -5.159 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.054 -5.408 0.718 1.00 0.00 H new ATOM 412 N SER A 27 -12.979 -6.166 1.540 1.00 0.00 N ATOM 413 CA SER A 27 -13.673 -6.935 2.562 1.00 0.00 C ATOM 414 C SER A 27 -14.963 -7.515 1.999 1.00 0.00 C ATOM 415 O SER A 27 -15.226 -8.710 2.129 1.00 0.00 O ATOM 416 CB SER A 27 -13.982 -6.054 3.774 1.00 0.00 C ATOM 417 OG SER A 27 -14.109 -6.832 4.951 1.00 0.00 O ATOM 0 H SER A 27 -12.939 -5.163 1.723 1.00 0.00 H new ATOM 0 HA SER A 27 -13.026 -7.753 2.879 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.188 -5.318 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.904 -5.500 3.599 1.00 0.00 H new ATOM 0 HG SER A 27 -15.046 -6.838 5.240 1.00 0.00 H new ATOM 423 N LYS A 28 -15.758 -6.661 1.356 1.00 0.00 N ATOM 424 CA LYS A 28 -17.013 -7.097 0.755 1.00 0.00 C ATOM 425 C LYS A 28 -16.780 -8.340 -0.094 1.00 0.00 C ATOM 426 O LYS A 28 -17.657 -9.194 -0.224 1.00 0.00 O ATOM 427 CB LYS A 28 -17.612 -5.979 -0.101 1.00 0.00 C ATOM 428 CG LYS A 28 -17.913 -4.710 0.678 1.00 0.00 C ATOM 429 CD LYS A 28 -19.333 -4.712 1.220 1.00 0.00 C ATOM 430 CE LYS A 28 -19.963 -3.331 1.139 1.00 0.00 C ATOM 431 NZ LYS A 28 -21.423 -3.401 0.857 1.00 0.00 N ATOM 0 H LYS A 28 -15.555 -5.668 1.239 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.717 -7.339 1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.921 -5.743 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.532 -6.339 -0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.208 -4.613 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.770 -3.843 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.938 -5.422 0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.327 -5.050 2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.800 -2.802 2.078 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.470 -2.753 0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.814 -2.438 0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -21.578 -3.883 -0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -21.898 -3.931 1.615 1.00 0.00 H new ATOM 445 N GLN A 29 -15.578 -8.435 -0.654 1.00 0.00 N ATOM 446 CA GLN A 29 -15.204 -9.575 -1.476 1.00 0.00 C ATOM 447 C GLN A 29 -14.480 -10.616 -0.632 1.00 0.00 C ATOM 448 O GLN A 29 -15.062 -11.633 -0.258 1.00 0.00 O ATOM 449 CB GLN A 29 -14.315 -9.128 -2.639 1.00 0.00 C ATOM 450 CG GLN A 29 -15.092 -8.553 -3.811 1.00 0.00 C ATOM 451 CD GLN A 29 -15.036 -7.039 -3.862 1.00 0.00 C ATOM 452 OE1 GLN A 29 -14.121 -6.459 -4.446 1.00 0.00 O ATOM 453 NE2 GLN A 29 -16.017 -6.389 -3.246 1.00 0.00 N ATOM 0 H GLN A 29 -14.846 -7.732 -0.551 1.00 0.00 H new ATOM 0 HA GLN A 29 -16.111 -10.021 -1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.609 -8.379 -2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.728 -9.979 -2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.693 -8.959 -4.741 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -16.132 -8.872 -3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.756 -6.910 -2.774 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.031 -5.369 -3.245 1.00 0.00 H new ATOM 462 N ASN A 30 -13.207 -10.334 -0.332 1.00 0.00 N ATOM 463 CA ASN A 30 -12.351 -11.213 0.477 1.00 0.00 C ATOM 464 C ASN A 30 -10.919 -11.155 -0.035 1.00 0.00 C ATOM 465 O ASN A 30 -10.149 -12.100 0.132 1.00 0.00 O ATOM 466 CB ASN A 30 -12.830 -12.671 0.455 1.00 0.00 C ATOM 467 CG ASN A 30 -13.003 -13.205 -0.954 1.00 0.00 C ATOM 468 OD1 ASN A 30 -12.471 -12.644 -1.913 1.00 0.00 O ATOM 469 ND2 ASN A 30 -13.751 -14.294 -1.088 1.00 0.00 N ATOM 0 H ASN A 30 -12.738 -9.484 -0.645 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.404 -10.855 1.505 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.113 -13.294 0.990 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.778 -12.747 0.988 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.903 -14.698 -2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.173 -14.727 -0.267 1.00 0.00 H new ATOM 476 N LYS A 31 -10.573 -10.043 -0.675 1.00 0.00 N ATOM 477 CA LYS A 31 -9.243 -9.869 -1.229 1.00 0.00 C ATOM 478 C LYS A 31 -8.241 -9.411 -0.173 1.00 0.00 C ATOM 479 O LYS A 31 -7.081 -9.173 -0.494 1.00 0.00 O ATOM 480 CB LYS A 31 -9.279 -8.869 -2.385 1.00 0.00 C ATOM 481 CG LYS A 31 -9.727 -9.482 -3.702 1.00 0.00 C ATOM 482 CD LYS A 31 -11.154 -9.085 -4.047 1.00 0.00 C ATOM 483 CE LYS A 31 -11.428 -9.231 -5.535 1.00 0.00 C ATOM 484 NZ LYS A 31 -12.337 -8.167 -6.040 1.00 0.00 N ATOM 0 H LYS A 31 -11.198 -9.251 -0.821 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.913 -10.840 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.951 -8.051 -2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.286 -8.438 -2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.057 -9.162 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.655 -10.568 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.852 -9.706 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.329 -8.053 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.486 -9.194 -6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.871 -10.208 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.019 -8.581 -6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.849 -7.740 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.779 -7.435 -6.524 1.00 0.00 H new ATOM 498 N LEU A 32 -8.677 -9.296 1.089 1.00 0.00 N ATOM 499 CA LEU A 32 -7.782 -8.876 2.166 1.00 0.00 C ATOM 500 C LEU A 32 -6.429 -9.568 2.045 1.00 0.00 C ATOM 501 O LEU A 32 -5.398 -9.009 2.416 1.00 0.00 O ATOM 502 CB LEU A 32 -8.411 -9.178 3.520 1.00 0.00 C ATOM 503 CG LEU A 32 -9.282 -8.051 4.064 1.00 0.00 C ATOM 504 CD1 LEU A 32 -10.568 -8.600 4.662 1.00 0.00 C ATOM 505 CD2 LEU A 32 -8.511 -7.222 5.083 1.00 0.00 C ATOM 0 H LEU A 32 -9.635 -9.487 1.383 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.624 -7.801 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.015 -10.082 3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.619 -9.390 4.238 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.554 -7.398 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.172 -7.777 5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.127 -9.135 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.328 -9.282 5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.149 -6.423 5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.201 -7.860 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.630 -6.790 4.609 1.00 0.00 H new ATOM 517 N GLU A 33 -6.443 -10.781 1.500 1.00 0.00 N ATOM 518 CA GLU A 33 -5.215 -11.541 1.300 1.00 0.00 C ATOM 519 C GLU A 33 -4.423 -10.951 0.138 1.00 0.00 C ATOM 520 O GLU A 33 -3.201 -10.814 0.207 1.00 0.00 O ATOM 521 CB GLU A 33 -5.535 -13.013 1.026 1.00 0.00 C ATOM 522 CG GLU A 33 -4.307 -13.905 0.986 1.00 0.00 C ATOM 523 CD GLU A 33 -4.652 -15.378 1.081 1.00 0.00 C ATOM 524 OE1 GLU A 33 -5.763 -15.698 1.557 1.00 0.00 O ATOM 525 OE2 GLU A 33 -3.815 -16.213 0.680 1.00 0.00 O ATOM 0 H GLU A 33 -7.290 -11.257 1.190 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.614 -11.481 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.214 -13.378 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.061 -13.091 0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.760 -13.723 0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.642 -13.638 1.807 1.00 0.00 H new ATOM 532 N GLN A 34 -5.139 -10.587 -0.923 1.00 0.00 N ATOM 533 CA GLN A 34 -4.525 -9.989 -2.103 1.00 0.00 C ATOM 534 C GLN A 34 -4.170 -8.524 -1.850 1.00 0.00 C ATOM 535 O GLN A 34 -3.468 -7.902 -2.645 1.00 0.00 O ATOM 536 CB GLN A 34 -5.465 -10.102 -3.306 1.00 0.00 C ATOM 537 CG GLN A 34 -4.950 -11.032 -4.394 1.00 0.00 C ATOM 538 CD GLN A 34 -4.391 -10.282 -5.587 1.00 0.00 C ATOM 539 OE1 GLN A 34 -4.764 -10.546 -6.730 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.492 -9.341 -5.328 1.00 0.00 N ATOM 0 H GLN A 34 -6.151 -10.697 -0.988 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.605 -10.533 -2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.437 -10.458 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.620 -9.110 -3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.175 -11.676 -3.979 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.760 -11.681 -4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.211 -9.155 -4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.082 -8.804 -6.092 1.00 0.00 H new ATOM 549 N VAL A 35 -4.659 -7.981 -0.737 1.00 0.00 N ATOM 550 CA VAL A 35 -4.388 -6.593 -0.373 1.00 0.00 C ATOM 551 C VAL A 35 -3.400 -6.532 0.788 1.00 0.00 C ATOM 552 O VAL A 35 -2.617 -5.590 0.907 1.00 0.00 O ATOM 553 CB VAL A 35 -5.675 -5.836 0.041 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.602 -4.386 -0.405 1.00 0.00 C ATOM 555 CG2 VAL A 35 -6.933 -6.509 -0.509 1.00 0.00 C ATOM 0 H VAL A 35 -5.246 -8.483 -0.071 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.969 -6.114 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.741 -5.867 1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.513 -3.867 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.742 -3.905 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.498 -4.344 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.813 -5.947 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.886 -6.533 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.998 -7.527 -0.126 1.00 0.00 H new ATOM 565 N GLU A 36 -3.445 -7.553 1.638 1.00 0.00 N ATOM 566 CA GLU A 36 -2.559 -7.635 2.793 1.00 0.00 C ATOM 567 C GLU A 36 -1.158 -8.012 2.344 1.00 0.00 C ATOM 568 O GLU A 36 -0.183 -7.337 2.674 1.00 0.00 O ATOM 569 CB GLU A 36 -3.079 -8.664 3.799 1.00 0.00 C ATOM 570 CG GLU A 36 -2.213 -8.792 5.041 1.00 0.00 C ATOM 571 CD GLU A 36 -1.255 -9.965 4.967 1.00 0.00 C ATOM 572 OE1 GLU A 36 -0.782 -10.276 3.854 1.00 0.00 O ATOM 573 OE2 GLU A 36 -0.978 -10.573 6.022 1.00 0.00 O ATOM 0 H GLU A 36 -4.089 -8.339 1.547 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.531 -6.660 3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.090 -8.388 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.145 -9.636 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.645 -7.872 5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.853 -8.906 5.916 1.00 0.00 H new ATOM 580 N LYS A 37 -1.070 -9.081 1.561 1.00 0.00 N ATOM 581 CA LYS A 37 0.209 -9.527 1.037 1.00 0.00 C ATOM 582 C LYS A 37 0.748 -8.469 0.088 1.00 0.00 C ATOM 583 O LYS A 37 1.959 -8.307 -0.065 1.00 0.00 O ATOM 584 CB LYS A 37 0.060 -10.866 0.312 1.00 0.00 C ATOM 585 CG LYS A 37 -0.061 -12.055 1.250 1.00 0.00 C ATOM 586 CD LYS A 37 -0.672 -13.257 0.550 1.00 0.00 C ATOM 587 CE LYS A 37 -0.045 -14.558 1.027 1.00 0.00 C ATOM 588 NZ LYS A 37 0.023 -14.629 2.512 1.00 0.00 N ATOM 0 H LYS A 37 -1.867 -9.651 1.278 1.00 0.00 H new ATOM 0 HA LYS A 37 0.907 -9.670 1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.822 -10.827 -0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.921 -11.014 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.925 -12.318 1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.675 -11.782 2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.746 -13.280 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.536 -13.160 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.625 -15.400 0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.959 -14.651 0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.094 -15.623 2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.858 -14.107 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.836 -14.207 2.919 1.00 0.00 H new ATOM 602 N GLU A 38 -0.174 -7.735 -0.531 1.00 0.00 N ATOM 603 CA GLU A 38 0.183 -6.672 -1.447 1.00 0.00 C ATOM 604 C GLU A 38 0.371 -5.353 -0.698 1.00 0.00 C ATOM 605 O GLU A 38 0.476 -4.289 -1.304 1.00 0.00 O ATOM 606 CB GLU A 38 -0.901 -6.529 -2.509 1.00 0.00 C ATOM 607 CG GLU A 38 -0.809 -7.563 -3.619 1.00 0.00 C ATOM 608 CD GLU A 38 -0.769 -8.984 -3.093 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.260 -9.369 -2.498 1.00 0.00 O ATOM 610 OE2 GLU A 38 -1.767 -9.714 -3.276 1.00 0.00 O ATOM 0 H GLU A 38 -1.178 -7.864 -0.409 1.00 0.00 H new ATOM 0 HA GLU A 38 1.128 -6.924 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.878 -6.607 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.839 -5.533 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.664 -7.451 -4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.086 -7.374 -4.212 1.00 0.00 H new ATOM 617 N LEU A 39 0.425 -5.428 0.628 1.00 0.00 N ATOM 618 CA LEU A 39 0.622 -4.246 1.450 1.00 0.00 C ATOM 619 C LEU A 39 2.008 -4.290 2.074 1.00 0.00 C ATOM 620 O LEU A 39 2.673 -3.264 2.215 1.00 0.00 O ATOM 621 CB LEU A 39 -0.454 -4.158 2.537 1.00 0.00 C ATOM 622 CG LEU A 39 -1.534 -3.106 2.288 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.850 -3.531 2.917 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.094 -1.754 2.829 1.00 0.00 C ATOM 0 H LEU A 39 0.335 -6.297 1.154 1.00 0.00 H new ATOM 0 HA LEU A 39 0.539 -3.358 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.932 -5.133 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.029 -3.943 3.490 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.684 -3.014 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.606 -2.769 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.172 -4.477 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.717 -3.652 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.875 -1.016 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.916 -1.832 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.176 -1.444 2.330 1.00 0.00 H new ATOM 636 N LEU A 40 2.446 -5.496 2.422 1.00 0.00 N ATOM 637 CA LEU A 40 3.765 -5.688 3.004 1.00 0.00 C ATOM 638 C LEU A 40 4.840 -5.491 1.941 1.00 0.00 C ATOM 639 O LEU A 40 5.970 -5.114 2.249 1.00 0.00 O ATOM 640 CB LEU A 40 3.881 -7.085 3.617 1.00 0.00 C ATOM 641 CG LEU A 40 3.398 -7.199 5.064 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.615 -8.611 5.589 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.114 -6.186 5.945 1.00 0.00 C ATOM 0 H LEU A 40 1.905 -6.353 2.310 1.00 0.00 H new ATOM 0 HA LEU A 40 3.908 -4.950 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.311 -7.783 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.924 -7.399 3.572 1.00 0.00 H new ATOM 0 HG LEU A 40 2.330 -6.983 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.266 -8.674 6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.058 -9.318 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.677 -8.854 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.759 -6.281 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.188 -6.372 5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.909 -5.179 5.582 1.00 0.00 H new ATOM 655 N ARG A 41 4.475 -5.743 0.684 1.00 0.00 N ATOM 656 CA ARG A 41 5.405 -5.585 -0.425 1.00 0.00 C ATOM 657 C ARG A 41 5.783 -4.118 -0.601 1.00 0.00 C ATOM 658 O ARG A 41 6.943 -3.790 -0.847 1.00 0.00 O ATOM 659 CB ARG A 41 4.790 -6.125 -1.716 1.00 0.00 C ATOM 660 CG ARG A 41 4.999 -7.618 -1.912 1.00 0.00 C ATOM 661 CD ARG A 41 6.336 -7.911 -2.574 1.00 0.00 C ATOM 662 NE ARG A 41 7.350 -8.316 -1.604 1.00 0.00 N ATOM 663 CZ ARG A 41 7.429 -9.536 -1.079 1.00 0.00 C ATOM 664 NH1 ARG A 41 6.556 -10.474 -1.427 1.00 0.00 N ATOM 665 NH2 ARG A 41 8.383 -9.821 -0.203 1.00 0.00 N ATOM 0 H ARG A 41 3.543 -6.057 0.412 1.00 0.00 H new ATOM 0 HA ARG A 41 6.307 -6.154 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.721 -5.913 -1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.220 -5.592 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.951 -8.123 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.192 -8.022 -2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.208 -8.700 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.678 -7.024 -3.108 1.00 0.00 H new ATOM 0 HE ARG A 41 8.038 -7.622 -1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.820 -10.261 -2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.622 -11.408 -1.021 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.057 -9.105 0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.443 -10.756 0.199 1.00 0.00 H new ATOM 679 N VAL A 42 4.794 -3.240 -0.465 1.00 0.00 N ATOM 680 CA VAL A 42 5.022 -1.807 -0.602 1.00 0.00 C ATOM 681 C VAL A 42 5.955 -1.293 0.492 1.00 0.00 C ATOM 682 O VAL A 42 6.549 -0.222 0.360 1.00 0.00 O ATOM 683 CB VAL A 42 3.696 -1.021 -0.551 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.942 0.466 -0.762 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.719 -1.556 -1.586 1.00 0.00 C ATOM 0 H VAL A 42 3.828 -3.496 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 42 5.489 -1.649 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 42 3.257 -1.155 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.993 1.001 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.603 0.840 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.407 0.623 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.789 -0.990 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.152 -1.455 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.515 -2.607 -1.384 1.00 0.00 H new ATOM 695 N GLY A 43 6.086 -2.063 1.566 1.00 0.00 N ATOM 696 CA GLY A 43 6.954 -1.670 2.660 1.00 0.00 C ATOM 697 C GLY A 43 8.408 -1.979 2.372 1.00 0.00 C ATOM 698 O GLY A 43 9.294 -1.184 2.686 1.00 0.00 O ATOM 0 H GLY A 43 5.606 -2.953 1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.841 -0.602 2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.647 -2.187 3.569 1.00 0.00 H new ATOM 702 N GLN A 44 8.653 -3.135 1.763 1.00 0.00 N ATOM 703 CA GLN A 44 10.008 -3.546 1.422 1.00 0.00 C ATOM 704 C GLN A 44 10.557 -2.690 0.288 1.00 0.00 C ATOM 705 O GLN A 44 11.757 -2.422 0.222 1.00 0.00 O ATOM 706 CB GLN A 44 10.031 -5.023 1.021 1.00 0.00 C ATOM 707 CG GLN A 44 11.305 -5.744 1.430 1.00 0.00 C ATOM 708 CD GLN A 44 11.213 -6.347 2.819 1.00 0.00 C ATOM 709 OE1 GLN A 44 11.200 -5.629 3.819 1.00 0.00 O ATOM 710 NE2 GLN A 44 11.150 -7.671 2.887 1.00 0.00 N ATOM 0 H GLN A 44 7.930 -3.803 1.496 1.00 0.00 H new ATOM 0 HA GLN A 44 10.639 -3.409 2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.177 -5.527 1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.911 -5.100 -0.060 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.519 -6.533 0.709 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.141 -5.045 1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.164 -8.227 2.032 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.088 -8.133 3.794 1.00 0.00 H new ATOM 719 N ILE A 45 9.668 -2.257 -0.602 1.00 0.00 N ATOM 720 CA ILE A 45 10.059 -1.425 -1.732 1.00 0.00 C ATOM 721 C ILE A 45 10.606 -0.083 -1.255 1.00 0.00 C ATOM 722 O ILE A 45 11.433 0.534 -1.922 1.00 0.00 O ATOM 723 CB ILE A 45 8.869 -1.182 -2.684 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.328 -2.514 -3.204 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.278 -0.281 -3.844 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.873 -2.455 -3.618 1.00 0.00 C ATOM 0 H ILE A 45 8.671 -2.470 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 45 10.840 -1.959 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 45 8.080 -0.678 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.927 -2.832 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.447 -3.272 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.423 -0.124 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.619 0.679 -3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.085 -0.753 -4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.557 -3.435 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.263 -2.167 -2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.751 -1.721 -4.414 1.00 0.00 H new ATOM 738 N LEU A 46 10.141 0.361 -0.093 1.00 0.00 N ATOM 739 CA LEU A 46 10.587 1.629 0.471 1.00 0.00 C ATOM 740 C LEU A 46 11.958 1.478 1.117 1.00 0.00 C ATOM 741 O LEU A 46 12.832 2.329 0.953 1.00 0.00 O ATOM 742 CB LEU A 46 9.576 2.132 1.503 1.00 0.00 C ATOM 743 CG LEU A 46 8.452 3.006 0.943 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.972 4.397 0.613 1.00 0.00 C ATOM 745 CD2 LEU A 46 7.830 2.362 -0.287 1.00 0.00 C ATOM 0 H LEU A 46 9.457 -0.137 0.476 1.00 0.00 H new ATOM 0 HA LEU A 46 10.663 2.356 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.131 1.271 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.111 2.700 2.265 1.00 0.00 H new ATOM 0 HG LEU A 46 7.679 3.099 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.159 5.005 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.365 4.862 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.765 4.322 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.033 3.001 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.592 2.234 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.418 1.389 -0.019 1.00 0.00 H new ATOM 757 N LYS A 47 12.137 0.386 1.852 1.00 0.00 N ATOM 758 CA LYS A 47 13.402 0.116 2.526 1.00 0.00 C ATOM 759 C LYS A 47 14.472 -0.316 1.527 1.00 0.00 C ATOM 760 O LYS A 47 15.667 -0.222 1.807 1.00 0.00 O ATOM 761 CB LYS A 47 13.215 -0.966 3.590 1.00 0.00 C ATOM 762 CG LYS A 47 14.337 -1.014 4.613 1.00 0.00 C ATOM 763 CD LYS A 47 14.429 -2.379 5.275 1.00 0.00 C ATOM 764 CE LYS A 47 13.404 -2.528 6.388 1.00 0.00 C ATOM 765 NZ LYS A 47 13.486 -3.861 7.045 1.00 0.00 N ATOM 0 H LYS A 47 11.422 -0.327 1.996 1.00 0.00 H new ATOM 0 HA LYS A 47 13.732 1.037 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.271 -0.796 4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.140 -1.937 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.284 -0.780 4.127 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.171 -0.250 5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.273 -3.158 4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.431 -2.521 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.560 -1.747 7.132 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.403 -2.385 5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.771 -3.922 7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.312 -4.606 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.433 -3.988 7.456 1.00 0.00 H new ATOM 779 N GLU A 48 14.038 -0.790 0.361 1.00 0.00 N ATOM 780 CA GLU A 48 14.965 -1.236 -0.673 1.00 0.00 C ATOM 781 C GLU A 48 15.944 -0.121 -1.046 1.00 0.00 C ATOM 782 O GLU A 48 15.530 0.984 -1.396 1.00 0.00 O ATOM 783 CB GLU A 48 14.195 -1.691 -1.915 1.00 0.00 C ATOM 784 CG GLU A 48 13.912 -3.185 -1.942 1.00 0.00 C ATOM 785 CD GLU A 48 13.296 -3.636 -3.251 1.00 0.00 C ATOM 786 OE1 GLU A 48 12.205 -3.136 -3.598 1.00 0.00 O ATOM 787 OE2 GLU A 48 13.903 -4.492 -3.929 1.00 0.00 O ATOM 0 H GLU A 48 13.053 -0.874 0.110 1.00 0.00 H new ATOM 0 HA GLU A 48 15.534 -2.077 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.250 -1.150 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.764 -1.421 -2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.841 -3.730 -1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.241 -3.439 -1.122 1.00 0.00 H new ATOM 794 N PRO A 49 17.260 -0.394 -0.976 1.00 0.00 N ATOM 795 CA PRO A 49 18.289 0.597 -1.309 1.00 0.00 C ATOM 796 C PRO A 49 18.087 1.200 -2.696 1.00 0.00 C ATOM 797 O PRO A 49 17.922 2.411 -2.838 1.00 0.00 O ATOM 798 CB PRO A 49 19.592 -0.205 -1.262 1.00 0.00 C ATOM 799 CG PRO A 49 19.299 -1.351 -0.357 1.00 0.00 C ATOM 800 CD PRO A 49 17.850 -1.684 -0.569 1.00 0.00 C ATOM 0 HA PRO A 49 18.271 1.444 -0.623 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.881 -0.549 -2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.415 0.399 -0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.934 -2.205 -0.591 1.00 0.00 H new ATOM 0 HG3 PRO A 49 19.491 -1.086 0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.721 -2.446 -1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 49 17.388 -2.068 0.341 1.00 0.00 H new ATOM 808 N LYS A 50 18.103 0.347 -3.715 1.00 0.00 N ATOM 809 CA LYS A 50 17.923 0.795 -5.092 1.00 0.00 C ATOM 810 C LYS A 50 16.600 1.538 -5.258 1.00 0.00 C ATOM 811 O LYS A 50 16.481 2.433 -6.094 1.00 0.00 O ATOM 812 CB LYS A 50 17.974 -0.398 -6.048 1.00 0.00 C ATOM 813 CG LYS A 50 17.881 -0.006 -7.515 1.00 0.00 C ATOM 814 CD LYS A 50 16.457 -0.123 -8.033 1.00 0.00 C ATOM 815 CE LYS A 50 16.423 -0.662 -9.453 1.00 0.00 C ATOM 816 NZ LYS A 50 15.140 -1.353 -9.755 1.00 0.00 N ATOM 0 H LYS A 50 18.239 -0.659 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 50 18.735 1.481 -5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.903 -0.945 -5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.157 -1.079 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.233 1.018 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.538 -0.644 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.884 -0.781 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 50 15.976 0.855 -8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.567 0.158 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.251 -1.355 -9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.158 -1.706 -10.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.014 -2.152 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.351 -0.685 -9.642 1.00 0.00 H new ATOM 830 N MET A 51 15.610 1.161 -4.456 1.00 0.00 N ATOM 831 CA MET A 51 14.297 1.792 -4.514 1.00 0.00 C ATOM 832 C MET A 51 14.312 3.147 -3.816 1.00 0.00 C ATOM 833 O MET A 51 13.681 4.099 -4.275 1.00 0.00 O ATOM 834 CB MET A 51 13.245 0.890 -3.871 1.00 0.00 C ATOM 835 CG MET A 51 13.025 -0.420 -4.611 1.00 0.00 C ATOM 836 SD MET A 51 12.618 -0.178 -6.351 1.00 0.00 S ATOM 837 CE MET A 51 11.416 1.143 -6.238 1.00 0.00 C ATOM 0 H MET A 51 15.692 0.422 -3.758 1.00 0.00 H new ATOM 0 HA MET A 51 14.044 1.945 -5.563 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.545 0.672 -2.846 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.300 1.430 -3.819 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.924 -1.031 -4.534 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.221 -0.975 -4.128 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.771 1.124 -7.116 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.812 1.009 -5.341 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.932 2.102 -6.188 1.00 0.00 H new ATOM 847 N ALA A 52 15.035 3.228 -2.703 1.00 0.00 N ATOM 848 CA ALA A 52 15.131 4.468 -1.940 1.00 0.00 C ATOM 849 C ALA A 52 15.554 5.632 -2.831 1.00 0.00 C ATOM 850 O ALA A 52 15.206 6.784 -2.572 1.00 0.00 O ATOM 851 CB ALA A 52 16.107 4.303 -0.786 1.00 0.00 C ATOM 0 H ALA A 52 15.563 2.449 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 52 14.144 4.694 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.169 5.236 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.761 3.506 -0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.092 4.048 -1.176 1.00 0.00 H new ATOM 857 N ALA A 53 16.303 5.322 -3.884 1.00 0.00 N ATOM 858 CA ALA A 53 16.770 6.342 -4.815 1.00 0.00 C ATOM 859 C ALA A 53 15.640 6.839 -5.714 1.00 0.00 C ATOM 860 O ALA A 53 15.805 7.815 -6.446 1.00 0.00 O ATOM 861 CB ALA A 53 17.914 5.798 -5.658 1.00 0.00 C ATOM 0 H ALA A 53 16.599 4.373 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 53 17.127 7.190 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.255 6.568 -6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.738 5.504 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.570 4.931 -6.222 1.00 0.00 H new ATOM 867 N SER A 54 14.492 6.165 -5.659 1.00 0.00 N ATOM 868 CA SER A 54 13.345 6.549 -6.476 1.00 0.00 C ATOM 869 C SER A 54 12.152 6.927 -5.604 1.00 0.00 C ATOM 870 O SER A 54 11.514 7.958 -5.820 1.00 0.00 O ATOM 871 CB SER A 54 12.960 5.407 -7.418 1.00 0.00 C ATOM 872 OG SER A 54 14.078 4.962 -8.164 1.00 0.00 O ATOM 0 H SER A 54 14.333 5.355 -5.060 1.00 0.00 H new ATOM 0 HA SER A 54 13.629 7.421 -7.066 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.551 4.578 -6.841 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.175 5.741 -8.097 1.00 0.00 H new ATOM 0 HG SER A 54 13.806 4.231 -8.757 1.00 0.00 H new ATOM 878 N LEU A 55 11.851 6.086 -4.620 1.00 0.00 N ATOM 879 CA LEU A 55 10.730 6.332 -3.720 1.00 0.00 C ATOM 880 C LEU A 55 11.040 7.475 -2.758 1.00 0.00 C ATOM 881 O LEU A 55 10.152 8.237 -2.378 1.00 0.00 O ATOM 882 CB LEU A 55 10.394 5.064 -2.932 1.00 0.00 C ATOM 883 CG LEU A 55 9.739 3.950 -3.750 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.187 2.585 -3.249 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.223 4.071 -3.694 1.00 0.00 C ATOM 0 H LEU A 55 12.368 5.228 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 55 9.869 6.616 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.311 4.677 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.729 5.330 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 55 10.054 4.053 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.711 1.805 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.270 2.501 -3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.902 2.470 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.772 3.271 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.890 3.994 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.920 5.035 -4.102 1.00 0.00 H new ATOM 897 N LEU A 56 12.306 7.588 -2.367 1.00 0.00 N ATOM 898 CA LEU A 56 12.730 8.639 -1.449 1.00 0.00 C ATOM 899 C LEU A 56 13.151 9.895 -2.207 1.00 0.00 C ATOM 900 O LEU A 56 13.131 10.997 -1.657 1.00 0.00 O ATOM 901 CB LEU A 56 13.887 8.146 -0.577 1.00 0.00 C ATOM 902 CG LEU A 56 13.929 8.735 0.834 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.541 7.742 1.809 1.00 0.00 C ATOM 904 CD2 LEU A 56 14.706 10.043 0.841 1.00 0.00 C ATOM 0 H LEU A 56 13.055 6.966 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 56 11.882 8.891 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.827 7.060 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.826 8.378 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 56 12.907 8.941 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.563 8.179 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.943 6.831 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.557 7.503 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.726 10.449 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.726 9.862 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.223 10.757 0.173 1.00 0.00 H new ATOM 916 N ASN A 57 13.534 9.725 -3.470 1.00 0.00 N ATOM 917 CA ASN A 57 13.959 10.848 -4.294 1.00 0.00 C ATOM 918 C ASN A 57 12.778 11.756 -4.636 1.00 0.00 C ATOM 919 O ASN A 57 11.878 11.358 -5.375 1.00 0.00 O ATOM 920 CB ASN A 57 14.614 10.341 -5.581 1.00 0.00 C ATOM 921 CG ASN A 57 16.127 10.366 -5.506 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.693 9.533 -4.640 1.00 0.00 O flip ATOM 923 ND2 ASN A 57 16.782 11.126 -6.220 1.00 0.00 N flip ATOM 0 H ASN A 57 13.558 8.821 -3.942 1.00 0.00 H new ATOM 0 HA ASN A 57 14.685 11.428 -3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.279 9.323 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.284 10.954 -6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 57 16.306 11.750 -6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 57 17.800 11.132 -6.160 1.00 0.00 H new ATOM 930 N PRO A 58 12.764 12.998 -4.109 1.00 0.00 N ATOM 931 CA PRO A 58 11.687 13.957 -4.373 1.00 0.00 C ATOM 932 C PRO A 58 11.725 14.505 -5.801 1.00 0.00 C ATOM 933 O PRO A 58 10.960 15.404 -6.148 1.00 0.00 O ATOM 934 CB PRO A 58 11.940 15.090 -3.364 1.00 0.00 C ATOM 935 CG PRO A 58 13.006 14.588 -2.444 1.00 0.00 C ATOM 936 CD PRO A 58 13.784 13.568 -3.222 1.00 0.00 C ATOM 0 HA PRO A 58 10.708 13.490 -4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.259 16.001 -3.871 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.031 15.333 -2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.652 15.402 -2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.570 14.145 -1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.601 14.022 -3.783 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.225 12.812 -2.572 1.00 0.00 H new ATOM 944 N TYR A 59 12.624 13.965 -6.621 1.00 0.00 N ATOM 945 CA TYR A 59 12.766 14.405 -8.001 1.00 0.00 C ATOM 946 C TYR A 59 11.766 13.698 -8.912 1.00 0.00 C ATOM 947 O TYR A 59 11.394 14.220 -9.963 1.00 0.00 O ATOM 948 CB TYR A 59 14.192 14.142 -8.483 1.00 0.00 C ATOM 949 CG TYR A 59 15.229 14.993 -7.783 1.00 0.00 C ATOM 950 CD1 TYR A 59 15.397 14.922 -6.405 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.037 15.869 -8.497 1.00 0.00 C ATOM 952 CE1 TYR A 59 16.337 15.697 -5.759 1.00 0.00 C ATOM 953 CE2 TYR A 59 16.981 16.650 -7.857 1.00 0.00 C ATOM 954 CZ TYR A 59 17.128 16.561 -6.488 1.00 0.00 C ATOM 955 OH TYR A 59 18.066 17.336 -5.849 1.00 0.00 O ATOM 0 H TYR A 59 13.265 13.220 -6.350 1.00 0.00 H new ATOM 0 HA TYR A 59 12.560 15.475 -8.042 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.432 13.090 -8.329 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.245 14.327 -9.556 1.00 0.00 H new ATOM 0 HD1 TYR A 59 14.780 14.248 -5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.926 15.941 -9.569 1.00 0.00 H new ATOM 0 HE1 TYR A 59 16.453 15.628 -4.688 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.601 17.327 -8.426 1.00 0.00 H new ATOM 0 HH TYR A 59 18.538 17.887 -6.507 1.00 0.00 H new ATOM 965 N VAL A 60 11.330 12.509 -8.504 1.00 0.00 N ATOM 966 CA VAL A 60 10.371 11.737 -9.288 1.00 0.00 C ATOM 967 C VAL A 60 9.124 12.558 -9.595 1.00 0.00 C ATOM 968 O VAL A 60 8.652 12.587 -10.731 1.00 0.00 O ATOM 969 CB VAL A 60 9.956 10.445 -8.557 1.00 0.00 C ATOM 970 CG1 VAL A 60 9.140 9.551 -9.477 1.00 0.00 C ATOM 971 CG2 VAL A 60 11.181 9.710 -8.032 1.00 0.00 C ATOM 0 H VAL A 60 11.625 12.060 -7.637 1.00 0.00 H new ATOM 0 HA VAL A 60 10.867 11.473 -10.222 1.00 0.00 H new ATOM 0 HB VAL A 60 9.332 10.715 -7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.856 8.644 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.242 10.080 -9.797 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.736 9.287 -10.351 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.868 8.801 -7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.834 9.450 -8.865 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.720 10.352 -7.335 1.00 0.00 H new ATOM 981 N LYS A 61 8.597 13.230 -8.575 1.00 0.00 N ATOM 982 CA LYS A 61 7.405 14.061 -8.729 1.00 0.00 C ATOM 983 C LYS A 61 6.149 13.205 -8.852 1.00 0.00 C ATOM 984 O LYS A 61 6.213 12.041 -9.244 1.00 0.00 O ATOM 985 CB LYS A 61 7.538 14.972 -9.953 1.00 0.00 C ATOM 986 CG LYS A 61 6.909 16.343 -9.763 1.00 0.00 C ATOM 987 CD LYS A 61 7.695 17.181 -8.766 1.00 0.00 C ATOM 988 CE LYS A 61 8.940 17.779 -9.401 1.00 0.00 C ATOM 989 NZ LYS A 61 9.735 18.572 -8.423 1.00 0.00 N ATOM 0 H LYS A 61 8.978 13.215 -7.629 1.00 0.00 H new ATOM 0 HA LYS A 61 7.314 14.679 -7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.595 15.096 -10.190 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.074 14.484 -10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.865 16.861 -10.721 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.882 16.229 -9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.061 17.980 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.980 16.563 -7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.559 16.980 -9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.651 18.417 -10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.575 18.963 -8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.153 19.350 -8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.033 17.958 -7.638 1.00 0.00 H new ATOM 1003 N ARG A 62 5.005 13.795 -8.512 1.00 0.00 N ATOM 1004 CA ARG A 62 3.729 13.092 -8.583 1.00 0.00 C ATOM 1005 C ARG A 62 3.482 12.553 -9.987 1.00 0.00 C ATOM 1006 O ARG A 62 4.036 13.060 -10.963 1.00 0.00 O ATOM 1007 CB ARG A 62 2.586 14.024 -8.173 1.00 0.00 C ATOM 1008 CG ARG A 62 2.862 14.800 -6.895 1.00 0.00 C ATOM 1009 CD ARG A 62 1.587 15.042 -6.104 1.00 0.00 C ATOM 1010 NE ARG A 62 1.828 15.852 -4.912 1.00 0.00 N ATOM 1011 CZ ARG A 62 2.457 15.405 -3.827 1.00 0.00 C ATOM 1012 NH1 ARG A 62 2.912 14.158 -3.781 1.00 0.00 N ATOM 1013 NH2 ARG A 62 2.635 16.208 -2.787 1.00 0.00 N ATOM 0 H ARG A 62 4.937 14.759 -8.185 1.00 0.00 H new ATOM 0 HA ARG A 62 3.768 12.250 -7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.395 14.729 -8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.678 13.436 -8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.574 14.249 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.326 15.755 -7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.855 15.541 -6.739 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.155 14.085 -5.811 1.00 0.00 H new ATOM 0 HE ARG A 62 1.495 16.816 -4.911 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.780 13.537 -4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.393 13.821 -2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.290 17.167 -2.819 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.117 15.866 -1.955 1.00 0.00 H new ATOM 1027 N SER A 63 2.650 11.519 -10.083 1.00 0.00 N ATOM 1028 CA SER A 63 2.329 10.899 -11.368 1.00 0.00 C ATOM 1029 C SER A 63 3.477 10.015 -11.844 1.00 0.00 C ATOM 1030 O SER A 63 3.287 8.830 -12.117 1.00 0.00 O ATOM 1031 CB SER A 63 2.014 11.964 -12.423 1.00 0.00 C ATOM 1032 OG SER A 63 1.033 11.504 -13.335 1.00 0.00 O ATOM 0 H SER A 63 2.184 11.091 -9.283 1.00 0.00 H new ATOM 0 HA SER A 63 1.445 10.277 -11.227 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.662 12.872 -11.934 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.924 12.225 -12.964 1.00 0.00 H new ATOM 0 HG SER A 63 0.849 12.203 -13.997 1.00 0.00 H new ATOM 1038 N VAL A 64 4.668 10.597 -11.937 1.00 0.00 N ATOM 1039 CA VAL A 64 5.850 9.863 -12.375 1.00 0.00 C ATOM 1040 C VAL A 64 6.022 8.577 -11.572 1.00 0.00 C ATOM 1041 O VAL A 64 5.994 7.479 -12.128 1.00 0.00 O ATOM 1042 CB VAL A 64 7.123 10.721 -12.236 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.335 9.978 -12.777 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.946 12.054 -12.947 1.00 0.00 C ATOM 0 H VAL A 64 4.841 11.577 -11.714 1.00 0.00 H new ATOM 0 HA VAL A 64 5.703 9.614 -13.426 1.00 0.00 H new ATOM 0 HB VAL A 64 7.292 10.917 -11.177 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.222 10.602 -12.669 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.473 9.052 -12.219 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.180 9.747 -13.831 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.854 12.647 -12.839 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.751 11.879 -14.005 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.106 12.592 -12.507 1.00 0.00 H new ATOM 1054 N LYS A 65 6.192 8.721 -10.262 1.00 0.00 N ATOM 1055 CA LYS A 65 6.360 7.569 -9.386 1.00 0.00 C ATOM 1056 C LYS A 65 5.150 6.643 -9.479 1.00 0.00 C ATOM 1057 O LYS A 65 5.262 5.436 -9.268 1.00 0.00 O ATOM 1058 CB LYS A 65 6.561 8.025 -7.939 1.00 0.00 C ATOM 1059 CG LYS A 65 7.703 7.313 -7.229 1.00 0.00 C ATOM 1060 CD LYS A 65 7.540 5.804 -7.284 1.00 0.00 C ATOM 1061 CE LYS A 65 8.822 5.090 -6.887 1.00 0.00 C ATOM 1062 NZ LYS A 65 9.615 4.670 -8.075 1.00 0.00 N ATOM 0 H LYS A 65 6.217 9.622 -9.785 1.00 0.00 H new ATOM 0 HA LYS A 65 7.245 7.020 -9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.750 9.098 -7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.638 7.858 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.650 7.594 -7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.745 7.638 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.732 5.500 -6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.253 5.505 -8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.425 5.748 -6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.578 4.214 -6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.324 3.965 -7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.981 4.253 -8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.095 5.498 -8.482 1.00 0.00 H new ATOM 1076 N VAL A 66 3.995 7.219 -9.801 1.00 0.00 N ATOM 1077 CA VAL A 66 2.765 6.447 -9.925 1.00 0.00 C ATOM 1078 C VAL A 66 2.814 5.532 -11.144 1.00 0.00 C ATOM 1079 O VAL A 66 2.281 4.423 -11.121 1.00 0.00 O ATOM 1080 CB VAL A 66 1.535 7.366 -10.037 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.252 6.553 -9.975 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.558 8.424 -8.944 1.00 0.00 C ATOM 0 H VAL A 66 3.886 8.217 -9.980 1.00 0.00 H new ATOM 0 HA VAL A 66 2.677 5.843 -9.022 1.00 0.00 H new ATOM 0 HB VAL A 66 1.570 7.872 -11.002 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.606 7.220 -10.056 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.234 5.838 -10.798 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.207 6.017 -9.027 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.681 9.064 -9.039 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.549 7.939 -7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.460 9.028 -9.041 1.00 0.00 H new ATOM 1092 N LYS A 67 3.458 6.003 -12.208 1.00 0.00 N ATOM 1093 CA LYS A 67 3.575 5.222 -13.434 1.00 0.00 C ATOM 1094 C LYS A 67 4.632 4.134 -13.287 1.00 0.00 C ATOM 1095 O LYS A 67 4.523 3.062 -13.883 1.00 0.00 O ATOM 1096 CB LYS A 67 3.924 6.133 -14.613 1.00 0.00 C ATOM 1097 CG LYS A 67 3.354 5.658 -15.940 1.00 0.00 C ATOM 1098 CD LYS A 67 4.050 6.323 -17.116 1.00 0.00 C ATOM 1099 CE LYS A 67 3.330 6.035 -18.423 1.00 0.00 C ATOM 1100 NZ LYS A 67 2.419 7.146 -18.812 1.00 0.00 N ATOM 0 H LYS A 67 3.905 6.919 -12.246 1.00 0.00 H new ATOM 0 HA LYS A 67 2.613 4.745 -13.625 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.554 7.137 -14.407 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.008 6.204 -14.698 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.462 4.576 -16.017 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.287 5.876 -15.977 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.094 7.400 -16.953 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.079 5.968 -17.180 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.063 5.873 -19.213 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.757 5.113 -18.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.947 6.910 -19.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.703 7.284 -18.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.969 8.021 -18.930 1.00 0.00 H new ATOM 1114 N SER A 68 5.655 4.415 -12.487 1.00 0.00 N ATOM 1115 CA SER A 68 6.732 3.460 -12.258 1.00 0.00 C ATOM 1116 C SER A 68 6.304 2.385 -11.264 1.00 0.00 C ATOM 1117 O SER A 68 6.785 1.253 -11.314 1.00 0.00 O ATOM 1118 CB SER A 68 7.980 4.180 -11.744 1.00 0.00 C ATOM 1119 OG SER A 68 7.691 4.932 -10.578 1.00 0.00 O ATOM 0 H SER A 68 5.761 5.297 -11.986 1.00 0.00 H new ATOM 0 HA SER A 68 6.965 2.978 -13.208 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.760 3.451 -11.526 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.368 4.840 -12.520 1.00 0.00 H new ATOM 0 HG SER A 68 6.749 4.810 -10.335 1.00 0.00 H new ATOM 1125 N LEU A 69 5.398 2.748 -10.361 1.00 0.00 N ATOM 1126 CA LEU A 69 4.906 1.815 -9.356 1.00 0.00 C ATOM 1127 C LEU A 69 3.877 0.860 -9.952 1.00 0.00 C ATOM 1128 O LEU A 69 3.745 -0.281 -9.510 1.00 0.00 O ATOM 1129 CB LEU A 69 4.290 2.578 -8.180 1.00 0.00 C ATOM 1130 CG LEU A 69 4.515 1.943 -6.807 1.00 0.00 C ATOM 1131 CD1 LEU A 69 5.996 1.926 -6.462 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.726 2.689 -5.741 1.00 0.00 C ATOM 0 H LEU A 69 4.991 3.681 -10.306 1.00 0.00 H new ATOM 0 HA LEU A 69 5.752 1.228 -8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.699 3.588 -8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.217 2.671 -8.349 1.00 0.00 H new ATOM 0 HG LEU A 69 4.160 0.913 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.136 1.471 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.537 1.348 -7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.377 2.947 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.897 2.224 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.052 3.729 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.663 2.649 -5.980 1.00 0.00 H new ATOM 1144 N SER A 70 3.148 1.335 -10.956 1.00 0.00 N ATOM 1145 CA SER A 70 2.127 0.526 -11.611 1.00 0.00 C ATOM 1146 C SER A 70 2.753 -0.490 -12.559 1.00 0.00 C ATOM 1147 O SER A 70 2.178 -1.547 -12.815 1.00 0.00 O ATOM 1148 CB SER A 70 1.146 1.419 -12.372 1.00 0.00 C ATOM 1149 OG SER A 70 0.315 2.142 -11.479 1.00 0.00 O ATOM 0 H SER A 70 3.245 2.277 -11.334 1.00 0.00 H new ATOM 0 HA SER A 70 1.585 -0.019 -10.838 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.698 2.115 -13.004 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.531 0.808 -13.032 1.00 0.00 H new ATOM 0 HG SER A 70 0.767 2.968 -11.208 1.00 0.00 H new ATOM 1155 N ASP A 71 3.936 -0.174 -13.072 1.00 0.00 N ATOM 1156 CA ASP A 71 4.630 -1.077 -13.977 1.00 0.00 C ATOM 1157 C ASP A 71 5.522 -2.016 -13.185 1.00 0.00 C ATOM 1158 O ASP A 71 5.658 -3.193 -13.519 1.00 0.00 O ATOM 1159 CB ASP A 71 5.456 -0.294 -14.999 1.00 0.00 C ATOM 1160 CG ASP A 71 4.590 0.390 -16.040 1.00 0.00 C ATOM 1161 OD1 ASP A 71 3.757 1.238 -15.655 1.00 0.00 O ATOM 1162 OD2 ASP A 71 4.745 0.078 -17.238 1.00 0.00 O ATOM 0 H ASP A 71 4.431 0.696 -12.877 1.00 0.00 H new ATOM 0 HA ASP A 71 3.888 -1.663 -14.519 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.056 0.454 -14.481 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.151 -0.971 -15.496 1.00 0.00 H new ATOM 1167 N MET A 72 6.109 -1.494 -12.116 1.00 0.00 N ATOM 1168 CA MET A 72 6.963 -2.297 -11.261 1.00 0.00 C ATOM 1169 C MET A 72 6.114 -3.236 -10.419 1.00 0.00 C ATOM 1170 O MET A 72 6.591 -4.276 -9.965 1.00 0.00 O ATOM 1171 CB MET A 72 7.834 -1.406 -10.368 1.00 0.00 C ATOM 1172 CG MET A 72 7.092 -0.790 -9.195 1.00 0.00 C ATOM 1173 SD MET A 72 7.342 -1.700 -7.660 1.00 0.00 S ATOM 1174 CE MET A 72 5.753 -1.469 -6.868 1.00 0.00 C ATOM 0 H MET A 72 6.008 -0.522 -11.824 1.00 0.00 H new ATOM 0 HA MET A 72 7.627 -2.891 -11.889 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.668 -1.996 -9.987 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.260 -0.607 -10.975 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.424 0.240 -9.061 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.027 -0.754 -9.422 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.861 -0.780 -6.030 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.044 -1.058 -7.587 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.385 -2.428 -6.504 1.00 0.00 H new ATOM 1184 N THR A 73 4.840 -2.882 -10.228 1.00 0.00 N ATOM 1185 CA THR A 73 3.949 -3.730 -9.459 1.00 0.00 C ATOM 1186 C THR A 73 3.783 -5.066 -10.159 1.00 0.00 C ATOM 1187 O THR A 73 3.616 -6.099 -9.511 1.00 0.00 O ATOM 1188 CB THR A 73 2.583 -3.088 -9.256 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.808 -3.894 -8.401 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.789 -2.915 -10.526 1.00 0.00 C ATOM 0 H THR A 73 4.416 -2.028 -10.591 1.00 0.00 H new ATOM 0 HA THR A 73 4.398 -3.874 -8.476 1.00 0.00 H new ATOM 0 HB THR A 73 2.785 -2.100 -8.842 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.300 -4.056 -7.569 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.830 -2.452 -10.295 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.342 -2.279 -11.217 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.620 -3.889 -10.985 1.00 0.00 H new ATOM 1198 N ALA A 74 3.851 -5.045 -11.490 1.00 0.00 N ATOM 1199 CA ALA A 74 3.727 -6.270 -12.263 1.00 0.00 C ATOM 1200 C ALA A 74 4.662 -7.335 -11.703 1.00 0.00 C ATOM 1201 O ALA A 74 4.399 -8.533 -11.818 1.00 0.00 O ATOM 1202 CB ALA A 74 4.030 -6.008 -13.731 1.00 0.00 C ATOM 0 H ALA A 74 3.990 -4.201 -12.046 1.00 0.00 H new ATOM 0 HA ALA A 74 2.701 -6.631 -12.188 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.932 -6.936 -14.294 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.328 -5.271 -14.121 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.047 -5.629 -13.831 1.00 0.00 H new ATOM 1208 N LYS A 75 5.755 -6.885 -11.087 1.00 0.00 N ATOM 1209 CA LYS A 75 6.726 -7.795 -10.498 1.00 0.00 C ATOM 1210 C LYS A 75 6.566 -7.874 -8.980 1.00 0.00 C ATOM 1211 O LYS A 75 7.047 -8.818 -8.352 1.00 0.00 O ATOM 1212 CB LYS A 75 8.148 -7.358 -10.852 1.00 0.00 C ATOM 1213 CG LYS A 75 8.677 -7.986 -12.131 1.00 0.00 C ATOM 1214 CD LYS A 75 10.195 -7.952 -12.184 1.00 0.00 C ATOM 1215 CE LYS A 75 10.746 -9.039 -13.091 1.00 0.00 C ATOM 1216 NZ LYS A 75 12.200 -8.856 -13.358 1.00 0.00 N ATOM 0 H LYS A 75 5.986 -5.897 -10.985 1.00 0.00 H new ATOM 0 HA LYS A 75 6.544 -8.787 -10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.171 -6.273 -10.953 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.814 -7.615 -10.028 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.333 -9.018 -12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.270 -7.456 -12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.526 -6.977 -12.541 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.598 -8.077 -11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.581 -10.013 -12.631 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.200 -9.035 -14.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.537 -9.618 -13.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.355 -7.937 -13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.724 -8.885 -12.460 1.00 0.00 H new ATOM 1230 N GLU A 76 5.889 -6.889 -8.388 1.00 0.00 N ATOM 1231 CA GLU A 76 5.682 -6.878 -6.948 1.00 0.00 C ATOM 1232 C GLU A 76 4.596 -7.871 -6.549 1.00 0.00 C ATOM 1233 O GLU A 76 4.859 -8.830 -5.826 1.00 0.00 O ATOM 1234 CB GLU A 76 5.309 -5.473 -6.474 1.00 0.00 C ATOM 1235 CG GLU A 76 5.940 -5.094 -5.145 1.00 0.00 C ATOM 1236 CD GLU A 76 7.440 -4.901 -5.247 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.883 -4.149 -6.140 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.172 -5.503 -4.433 1.00 0.00 O ATOM 0 H GLU A 76 5.479 -6.097 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 76 6.615 -7.176 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.613 -4.750 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.225 -5.404 -6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.483 -4.175 -4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.726 -5.871 -4.411 1.00 0.00 H new ATOM 1245 N LYS A 77 3.375 -7.631 -7.035 1.00 0.00 N ATOM 1246 CA LYS A 77 2.228 -8.498 -6.743 1.00 0.00 C ATOM 1247 C LYS A 77 0.912 -7.749 -6.937 1.00 0.00 C ATOM 1248 O LYS A 77 -0.089 -8.332 -7.355 1.00 0.00 O ATOM 1249 CB LYS A 77 2.295 -9.042 -5.310 1.00 0.00 C ATOM 1250 CG LYS A 77 2.775 -10.483 -5.228 1.00 0.00 C ATOM 1251 CD LYS A 77 3.396 -10.787 -3.875 1.00 0.00 C ATOM 1252 CE LYS A 77 3.238 -12.252 -3.505 1.00 0.00 C ATOM 1253 NZ LYS A 77 3.215 -12.454 -2.030 1.00 0.00 N ATOM 0 H LYS A 77 3.154 -6.838 -7.637 1.00 0.00 H new ATOM 0 HA LYS A 77 2.270 -9.334 -7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.962 -8.412 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.306 -8.971 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.937 -11.157 -5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.506 -10.670 -6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.455 -10.528 -3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.928 -10.166 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.315 -12.638 -3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.058 -12.826 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.106 -13.467 -1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.106 -12.109 -1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.417 -11.927 -1.620 1.00 0.00 H new ATOM 1267 N PHE A 78 0.915 -6.458 -6.610 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.279 -5.626 -6.728 1.00 0.00 C ATOM 1269 C PHE A 78 -0.931 -5.749 -8.083 1.00 0.00 C ATOM 1270 O PHE A 78 -0.489 -6.511 -8.941 1.00 0.00 O ATOM 1271 CB PHE A 78 0.047 -4.153 -6.496 1.00 0.00 C ATOM 1272 CG PHE A 78 1.150 -3.938 -5.522 1.00 0.00 C ATOM 1273 CD1 PHE A 78 1.110 -4.543 -4.284 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.234 -3.151 -5.855 1.00 0.00 C ATOM 1275 CE1 PHE A 78 2.143 -4.364 -3.386 1.00 0.00 C ATOM 1276 CE2 PHE A 78 3.269 -2.968 -4.969 1.00 0.00 C ATOM 1277 CZ PHE A 78 3.226 -3.576 -3.728 1.00 0.00 C ATOM 0 H PHE A 78 1.736 -5.964 -6.260 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.967 -5.986 -5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.318 -3.694 -7.447 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.847 -3.642 -6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.266 -5.161 -4.015 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.269 -2.673 -6.823 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.105 -4.839 -2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.113 -2.351 -5.241 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.036 -3.436 -3.028 1.00 0.00 H new ATOM 1287 N SER A 79 -1.975 -4.947 -8.248 1.00 0.00 N ATOM 1288 CA SER A 79 -2.747 -4.870 -9.480 1.00 0.00 C ATOM 1289 C SER A 79 -4.246 -4.819 -9.199 1.00 0.00 C ATOM 1290 O SER A 79 -4.985 -4.142 -9.914 1.00 0.00 O ATOM 1291 CB SER A 79 -2.446 -6.029 -10.444 1.00 0.00 C ATOM 1292 OG SER A 79 -2.627 -7.286 -9.816 1.00 0.00 O ATOM 0 H SER A 79 -2.314 -4.322 -7.517 1.00 0.00 H new ATOM 0 HA SER A 79 -2.440 -3.943 -9.963 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.098 -5.959 -11.314 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.421 -5.946 -10.806 1.00 0.00 H new ATOM 0 HG SER A 79 -1.768 -7.605 -9.470 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.743 -5.566 -8.194 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.155 -5.612 -7.893 1.00 0.00 C ATOM 1300 C PRO A 80 -6.593 -4.752 -6.714 1.00 0.00 C ATOM 1301 O PRO A 80 -7.223 -3.712 -6.908 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.355 -7.095 -7.587 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.026 -7.577 -7.064 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.011 -6.478 -7.315 1.00 0.00 C ATOM 0 HA PRO A 80 -6.753 -5.211 -8.712 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.144 -7.241 -6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.648 -7.645 -8.481 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.092 -7.802 -6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.727 -8.497 -7.567 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.704 -5.991 -6.390 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.107 -6.861 -7.789 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.276 -5.172 -5.494 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.672 -4.402 -4.327 1.00 0.00 C ATOM 1314 C LEU A 81 -5.547 -3.483 -3.913 1.00 0.00 C ATOM 1315 O LEU A 81 -5.642 -2.759 -2.923 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.050 -5.319 -3.172 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.481 -5.857 -3.215 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.483 -4.714 -3.144 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.700 -6.682 -4.474 1.00 0.00 C ATOM 0 H LEU A 81 -5.756 -6.026 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.547 -3.806 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.361 -6.163 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.910 -4.777 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.634 -6.501 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.496 -5.116 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.340 -4.162 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.331 -4.044 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.723 -7.058 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.529 -6.059 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.005 -7.522 -4.484 1.00 0.00 H new ATOM 1331 N THR A 82 -4.480 -3.524 -4.687 1.00 0.00 N ATOM 1332 CA THR A 82 -3.325 -2.710 -4.432 1.00 0.00 C ATOM 1333 C THR A 82 -3.043 -1.796 -5.616 1.00 0.00 C ATOM 1334 O THR A 82 -2.114 -0.994 -5.574 1.00 0.00 O ATOM 1335 CB THR A 82 -2.129 -3.598 -4.138 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.524 -4.957 -4.055 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.435 -3.237 -2.843 1.00 0.00 C ATOM 0 H THR A 82 -4.397 -4.124 -5.507 1.00 0.00 H new ATOM 0 HA THR A 82 -3.517 -2.081 -3.563 1.00 0.00 H new ATOM 0 HB THR A 82 -1.434 -3.443 -4.963 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.053 -5.095 -3.242 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.588 -3.905 -2.685 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.080 -2.208 -2.895 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.136 -3.338 -2.014 1.00 0.00 H new ATOM 1345 N SER A 83 -3.860 -1.896 -6.669 1.00 0.00 N ATOM 1346 CA SER A 83 -3.676 -1.045 -7.833 1.00 0.00 C ATOM 1347 C SER A 83 -4.454 0.256 -7.664 1.00 0.00 C ATOM 1348 O SER A 83 -4.891 0.877 -8.633 1.00 0.00 O ATOM 1349 CB SER A 83 -4.118 -1.753 -9.111 1.00 0.00 C ATOM 1350 OG SER A 83 -4.190 -0.850 -10.200 1.00 0.00 O ATOM 0 H SER A 83 -4.641 -2.549 -6.734 1.00 0.00 H new ATOM 0 HA SER A 83 -2.613 -0.820 -7.918 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.418 -2.555 -9.346 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.092 -2.216 -8.955 1.00 0.00 H new ATOM 0 HG SER A 83 -4.773 -0.099 -9.964 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.599 0.655 -6.415 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.293 1.876 -6.048 1.00 0.00 C ATOM 1358 C ASN A 84 -4.565 2.461 -4.859 1.00 0.00 C ATOM 1359 O ASN A 84 -4.236 3.646 -4.824 1.00 0.00 O ATOM 1360 CB ASN A 84 -6.756 1.593 -5.700 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.653 2.786 -5.962 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.238 3.935 -5.813 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.894 2.518 -6.354 1.00 0.00 N ATOM 0 H ASN A 84 -4.234 0.135 -5.617 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.297 2.577 -6.883 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.108 0.742 -6.284 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.829 1.311 -4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.545 3.280 -6.544 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.196 1.550 -6.465 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.261 1.582 -3.912 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.506 1.961 -2.743 1.00 0.00 C ATOM 1372 C LEU A 85 -2.076 2.270 -3.173 1.00 0.00 C ATOM 1373 O LEU A 85 -1.335 2.941 -2.453 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.531 0.834 -1.701 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.475 0.936 -0.596 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -2.775 2.109 0.323 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.406 -0.361 0.199 1.00 0.00 C ATOM 0 H LEU A 85 -4.531 0.599 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.949 2.844 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.517 0.813 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.402 -0.117 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.505 1.105 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.014 2.165 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.772 3.034 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.754 1.971 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.650 -0.270 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.376 -0.561 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.142 -1.182 -0.467 1.00 0.00 H new ATOM 1389 N ILE A 86 -1.692 1.784 -4.365 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.356 2.030 -4.879 1.00 0.00 C ATOM 1391 C ILE A 86 -0.205 3.493 -5.287 1.00 0.00 C ATOM 1392 O ILE A 86 0.730 4.173 -4.865 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.019 1.096 -6.074 1.00 0.00 C ATOM 1394 CG1 ILE A 86 1.009 0.045 -5.651 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.498 1.880 -7.277 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.444 -1.022 -4.739 1.00 0.00 C ATOM 0 H ILE A 86 -2.288 1.226 -4.977 1.00 0.00 H new ATOM 0 HA ILE A 86 0.351 1.810 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.942 0.599 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.418 -0.430 -6.542 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.837 0.542 -5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.722 1.191 -8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.262 2.591 -7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.403 2.419 -6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.229 -1.732 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.060 -0.558 -3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.365 -1.545 -5.249 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.136 3.968 -6.107 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.114 5.349 -6.568 1.00 0.00 C ATOM 1410 C ASN A 87 -1.439 6.299 -5.422 1.00 0.00 C ATOM 1411 O ASN A 87 -0.973 7.438 -5.394 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.114 5.545 -7.710 1.00 0.00 C ATOM 1413 CG ASN A 87 -1.873 4.587 -8.860 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -0.745 4.157 -9.099 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.936 4.248 -9.579 1.00 0.00 N ATOM 0 H ASN A 87 -1.915 3.416 -6.466 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.112 5.573 -6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.126 5.406 -7.331 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.048 6.570 -8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.836 3.607 -10.366 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.853 4.629 -9.345 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.241 5.820 -4.476 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.631 6.621 -3.324 1.00 0.00 C ATOM 1424 C LEU A 88 -1.475 6.756 -2.340 1.00 0.00 C ATOM 1425 O LEU A 88 -1.333 7.782 -1.674 1.00 0.00 O ATOM 1426 CB LEU A 88 -3.843 5.996 -2.629 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.902 6.993 -2.153 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.298 6.416 -2.334 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.664 7.368 -0.698 1.00 0.00 C ATOM 0 H LEU A 88 -2.634 4.879 -4.486 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.899 7.617 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.312 5.291 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.494 5.422 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.822 7.896 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.038 7.139 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.467 6.197 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.390 5.498 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.426 8.078 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.717 6.473 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.679 7.823 -0.596 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.648 5.717 -2.252 1.00 0.00 N ATOM 1442 CA LEU A 89 0.493 5.736 -1.347 1.00 0.00 C ATOM 1443 C LEU A 89 1.585 6.660 -1.875 1.00 0.00 C ATOM 1444 O LEU A 89 2.352 7.236 -1.103 1.00 0.00 O ATOM 1445 CB LEU A 89 1.044 4.322 -1.154 1.00 0.00 C ATOM 1446 CG LEU A 89 0.651 3.654 0.165 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.777 2.141 0.059 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.509 4.186 1.303 1.00 0.00 C ATOM 0 H LEU A 89 -0.747 4.858 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 89 0.157 6.116 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.699 3.697 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.132 4.360 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.391 3.894 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.493 1.685 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.120 1.776 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.808 1.877 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.218 3.702 2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.558 3.975 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.366 5.263 1.394 1.00 0.00 H new ATOM 1460 N ALA A 90 1.646 6.803 -3.196 1.00 0.00 N ATOM 1461 CA ALA A 90 2.639 7.661 -3.825 1.00 0.00 C ATOM 1462 C ALA A 90 2.030 8.992 -4.262 1.00 0.00 C ATOM 1463 O ALA A 90 2.630 9.732 -5.041 1.00 0.00 O ATOM 1464 CB ALA A 90 3.267 6.953 -5.016 1.00 0.00 C ATOM 0 H ALA A 90 1.018 6.335 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 90 3.413 7.874 -3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.008 7.605 -5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.750 6.035 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.493 6.710 -5.744 1.00 0.00 H new ATOM 1470 N GLU A 91 0.835 9.294 -3.755 1.00 0.00 N ATOM 1471 CA GLU A 91 0.156 10.539 -4.098 1.00 0.00 C ATOM 1472 C GLU A 91 0.306 11.564 -2.978 1.00 0.00 C ATOM 1473 O GLU A 91 0.917 12.617 -3.164 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.327 10.279 -4.374 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.116 11.535 -4.705 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.614 11.298 -4.709 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.078 10.451 -5.500 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.321 11.960 -3.920 1.00 0.00 O ATOM 0 H GLU A 91 0.321 8.696 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 91 0.619 10.940 -4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.416 9.576 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.772 9.801 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.877 12.312 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.808 11.906 -5.682 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.258 11.250 -1.817 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.187 12.143 -0.667 1.00 0.00 C ATOM 1487 C ASN A 92 1.171 12.044 0.019 1.00 0.00 C ATOM 1488 O ASN A 92 1.646 13.008 0.621 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.301 11.815 0.330 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.625 12.443 -0.056 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -2.783 13.662 -0.014 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.588 11.609 -0.433 1.00 0.00 N ATOM 0 H ASN A 92 -0.769 10.384 -1.648 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.318 13.164 -1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.420 10.733 0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.012 12.164 1.321 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.502 11.973 -0.702 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.413 10.604 -0.453 1.00 0.00 H new ATOM 1499 N GLY A 93 1.792 10.872 -0.075 1.00 0.00 N ATOM 1500 CA GLY A 93 3.090 10.669 0.542 1.00 0.00 C ATOM 1501 C GLY A 93 3.022 9.742 1.740 1.00 0.00 C ATOM 1502 O GLY A 93 3.841 9.837 2.653 1.00 0.00 O ATOM 0 H GLY A 93 1.420 10.060 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.779 10.256 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.496 11.632 0.853 1.00 0.00 H new ATOM 1506 N ARG A 94 2.043 8.845 1.735 1.00 0.00 N ATOM 1507 CA ARG A 94 1.869 7.896 2.829 1.00 0.00 C ATOM 1508 C ARG A 94 3.073 6.965 2.946 1.00 0.00 C ATOM 1509 O ARG A 94 3.313 6.378 4.001 1.00 0.00 O ATOM 1510 CB ARG A 94 0.592 7.078 2.624 1.00 0.00 C ATOM 1511 CG ARG A 94 -0.573 7.547 3.479 1.00 0.00 C ATOM 1512 CD ARG A 94 -0.311 7.308 4.958 1.00 0.00 C ATOM 1513 NE ARG A 94 -1.195 8.104 5.807 1.00 0.00 N ATOM 1514 CZ ARG A 94 -1.131 9.430 5.905 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -0.228 10.112 5.212 1.00 0.00 N ATOM 1516 NH2 ARG A 94 -1.973 10.077 6.701 1.00 0.00 N ATOM 0 H ARG A 94 1.357 8.755 0.985 1.00 0.00 H new ATOM 0 HA ARG A 94 1.785 8.463 3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.304 7.126 1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.800 6.032 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.748 8.609 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.480 7.022 3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.447 6.250 5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.727 7.552 5.186 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.902 7.615 6.356 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.423 9.620 4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.185 11.128 5.292 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.669 9.558 7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.925 11.093 6.777 1.00 0.00 H new ATOM 1530 N LEU A 95 3.829 6.832 1.857 1.00 0.00 N ATOM 1531 CA LEU A 95 5.007 5.970 1.847 1.00 0.00 C ATOM 1532 C LEU A 95 5.942 6.312 3.002 1.00 0.00 C ATOM 1533 O LEU A 95 5.668 7.221 3.785 1.00 0.00 O ATOM 1534 CB LEU A 95 5.749 6.099 0.515 1.00 0.00 C ATOM 1535 CG LEU A 95 5.073 5.413 -0.675 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.964 5.480 -1.905 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.733 3.968 -0.336 1.00 0.00 C ATOM 0 H LEU A 95 3.647 7.309 0.974 1.00 0.00 H new ATOM 0 HA LEU A 95 4.673 4.939 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.868 7.158 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.750 5.684 0.633 1.00 0.00 H new ATOM 0 HG LEU A 95 4.145 5.940 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.468 4.988 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.155 6.523 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.909 4.978 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.253 3.496 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.647 3.428 -0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.055 3.944 0.517 1.00 0.00 H new ATOM 1549 N THR A 96 7.040 5.565 3.109 1.00 0.00 N ATOM 1550 CA THR A 96 8.023 5.766 4.177 1.00 0.00 C ATOM 1551 C THR A 96 7.574 5.045 5.442 1.00 0.00 C ATOM 1552 O THR A 96 8.311 4.233 6.002 1.00 0.00 O ATOM 1553 CB THR A 96 8.241 7.256 4.464 1.00 0.00 C ATOM 1554 OG1 THR A 96 8.021 8.030 3.298 1.00 0.00 O ATOM 1555 CG2 THR A 96 9.634 7.571 4.964 1.00 0.00 C ATOM 0 H THR A 96 7.274 4.809 2.465 1.00 0.00 H new ATOM 0 HA THR A 96 8.973 5.349 3.844 1.00 0.00 H new ATOM 0 HB THR A 96 7.524 7.506 5.246 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.083 8.312 3.265 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.721 8.642 5.148 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.820 7.028 5.891 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.366 7.271 4.214 1.00 0.00 H new ATOM 1563 N ASN A 97 6.347 5.325 5.871 1.00 0.00 N ATOM 1564 CA ASN A 97 5.784 4.683 7.050 1.00 0.00 C ATOM 1565 C ASN A 97 4.879 3.528 6.630 1.00 0.00 C ATOM 1566 O ASN A 97 3.986 3.119 7.371 1.00 0.00 O ATOM 1567 CB ASN A 97 4.994 5.694 7.884 1.00 0.00 C ATOM 1568 CG ASN A 97 5.880 6.774 8.474 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.416 6.621 9.572 1.00 0.00 O ATOM 1570 ND2 ASN A 97 6.037 7.873 7.748 1.00 0.00 N ATOM 0 H ASN A 97 5.724 5.994 5.418 1.00 0.00 H new ATOM 0 HA ASN A 97 6.599 4.294 7.660 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.229 6.156 7.261 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.477 5.172 8.689 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.621 8.634 8.095 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.574 7.957 6.843 1.00 0.00 H new ATOM 1577 N THR A 98 5.120 3.015 5.422 1.00 0.00 N ATOM 1578 CA THR A 98 4.341 1.912 4.869 1.00 0.00 C ATOM 1579 C THR A 98 4.096 0.812 5.904 1.00 0.00 C ATOM 1580 O THR A 98 2.949 0.489 6.213 1.00 0.00 O ATOM 1581 CB THR A 98 5.053 1.331 3.644 1.00 0.00 C ATOM 1582 OG1 THR A 98 6.126 2.165 3.243 1.00 0.00 O ATOM 1583 CG2 THR A 98 4.138 1.159 2.450 1.00 0.00 C ATOM 0 H THR A 98 5.858 3.353 4.804 1.00 0.00 H new ATOM 0 HA THR A 98 3.370 2.309 4.573 1.00 0.00 H new ATOM 0 HB THR A 98 5.411 0.350 3.956 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.936 1.625 3.132 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.703 0.744 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.324 0.482 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.727 2.127 2.164 1.00 0.00 H new ATOM 1591 N PRO A 99 5.171 0.215 6.453 1.00 0.00 N ATOM 1592 CA PRO A 99 5.061 -0.852 7.450 1.00 0.00 C ATOM 1593 C PRO A 99 4.029 -0.540 8.529 1.00 0.00 C ATOM 1594 O PRO A 99 3.429 -1.445 9.109 1.00 0.00 O ATOM 1595 CB PRO A 99 6.472 -0.940 8.060 1.00 0.00 C ATOM 1596 CG PRO A 99 7.259 0.176 7.445 1.00 0.00 C ATOM 1597 CD PRO A 99 6.573 0.518 6.154 1.00 0.00 C ATOM 0 HA PRO A 99 4.725 -1.786 6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.435 -0.839 9.145 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.930 -1.905 7.845 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.291 1.040 8.109 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.291 -0.128 7.268 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.714 1.565 5.884 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.949 -0.079 5.323 1.00 0.00 H new ATOM 1605 N ALA A 100 3.820 0.746 8.791 1.00 0.00 N ATOM 1606 CA ALA A 100 2.855 1.170 9.797 1.00 0.00 C ATOM 1607 C ALA A 100 1.430 1.031 9.273 1.00 0.00 C ATOM 1608 O ALA A 100 0.515 0.680 10.018 1.00 0.00 O ATOM 1609 CB ALA A 100 3.131 2.606 10.221 1.00 0.00 C ATOM 0 H ALA A 100 4.305 1.511 8.321 1.00 0.00 H new ATOM 0 HA ALA A 100 2.960 0.523 10.668 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.403 2.910 10.973 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.135 2.675 10.640 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.053 3.263 9.354 1.00 0.00 H new ATOM 1615 N VAL A 101 1.249 1.304 7.985 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.063 1.207 7.360 1.00 0.00 C ATOM 1617 C VAL A 101 -0.478 -0.250 7.181 1.00 0.00 C ATOM 1618 O VAL A 101 -1.666 -0.570 7.165 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.087 1.907 5.988 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.507 1.983 5.449 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.528 3.295 6.087 1.00 0.00 C ATOM 0 H VAL A 101 1.996 1.594 7.354 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.768 1.706 8.025 1.00 0.00 H new ATOM 0 HB VAL A 101 0.509 1.318 5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.502 2.481 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.908 0.976 5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.130 2.547 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.503 3.775 5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.039 3.894 6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.561 3.212 6.424 1.00 0.00 H new ATOM 1631 N ILE A 102 0.510 -1.131 7.046 1.00 0.00 N ATOM 1632 CA ILE A 102 0.245 -2.553 6.868 1.00 0.00 C ATOM 1633 C ILE A 102 -0.148 -3.209 8.187 1.00 0.00 C ATOM 1634 O ILE A 102 -1.029 -4.070 8.224 1.00 0.00 O ATOM 1635 CB ILE A 102 1.472 -3.288 6.292 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.023 -2.543 5.076 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.106 -4.718 5.922 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.535 -2.548 5.002 1.00 0.00 C ATOM 0 H ILE A 102 1.500 -0.884 7.057 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.582 -2.632 6.163 1.00 0.00 H new ATOM 0 HB ILE A 102 2.249 -3.316 7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.621 -2.995 4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.671 -1.512 5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.982 -5.225 5.517 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.760 -5.246 6.810 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.314 -4.709 5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.858 -2.002 4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.944 -2.070 5.892 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.893 -3.576 4.946 1.00 0.00 H new ATOM 1650 N SER A 103 0.509 -2.799 9.268 1.00 0.00 N ATOM 1651 CA SER A 103 0.223 -3.351 10.588 1.00 0.00 C ATOM 1652 C SER A 103 -1.247 -3.173 10.944 1.00 0.00 C ATOM 1653 O SER A 103 -1.871 -4.068 11.516 1.00 0.00 O ATOM 1654 CB SER A 103 1.103 -2.684 11.646 1.00 0.00 C ATOM 1655 OG SER A 103 1.097 -3.423 12.855 1.00 0.00 O ATOM 0 H SER A 103 1.241 -2.089 9.256 1.00 0.00 H new ATOM 0 HA SER A 103 0.445 -4.418 10.564 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.124 -2.599 11.273 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.747 -1.671 11.834 1.00 0.00 H new ATOM 0 HG SER A 103 1.668 -2.976 13.514 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.801 -2.017 10.595 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.200 -1.733 10.871 1.00 0.00 C ATOM 1663 C ALA A 104 -4.098 -2.723 10.140 1.00 0.00 C ATOM 1664 O ALA A 104 -5.143 -3.125 10.650 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.542 -0.307 10.469 1.00 0.00 C ATOM 0 H ALA A 104 -1.302 -1.264 10.121 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.370 -1.839 11.942 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.593 -0.111 10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.921 0.389 11.033 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.357 -0.175 9.403 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.675 -3.116 8.942 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.432 -4.064 8.133 1.00 0.00 C ATOM 1673 C PHE A 105 -4.688 -5.353 8.903 1.00 0.00 C ATOM 1674 O PHE A 105 -5.736 -5.975 8.751 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.679 -4.380 6.843 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.570 -4.794 5.707 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -5.103 -3.845 4.854 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.857 -6.130 5.480 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.907 -4.217 3.797 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.666 -6.509 4.426 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.191 -5.551 3.582 1.00 0.00 C ATOM 0 H PHE A 105 -2.810 -2.791 8.510 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.391 -3.606 7.888 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.107 -3.502 6.543 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.961 -5.176 7.038 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.887 -2.800 5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.444 -6.884 6.134 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.314 -3.465 3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.887 -7.553 4.263 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.822 -5.844 2.756 1.00 0.00 H new ATOM 1691 N SER A 106 -3.724 -5.750 9.726 1.00 0.00 N ATOM 1692 CA SER A 106 -3.859 -6.971 10.512 1.00 0.00 C ATOM 1693 C SER A 106 -5.041 -6.865 11.467 1.00 0.00 C ATOM 1694 O SER A 106 -5.890 -7.755 11.521 1.00 0.00 O ATOM 1695 CB SER A 106 -2.574 -7.251 11.292 1.00 0.00 C ATOM 1696 OG SER A 106 -2.745 -8.340 12.183 1.00 0.00 O ATOM 0 H SER A 106 -2.847 -5.249 9.866 1.00 0.00 H new ATOM 0 HA SER A 106 -4.039 -7.800 9.827 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.763 -7.470 10.597 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.283 -6.362 11.851 1.00 0.00 H new ATOM 0 HG SER A 106 -1.909 -8.500 12.669 1.00 0.00 H new ATOM 1702 N THR A 107 -5.099 -5.768 12.211 1.00 0.00 N ATOM 1703 CA THR A 107 -6.189 -5.547 13.152 1.00 0.00 C ATOM 1704 C THR A 107 -7.439 -5.081 12.418 1.00 0.00 C ATOM 1705 O THR A 107 -8.553 -5.218 12.922 1.00 0.00 O ATOM 1706 CB THR A 107 -5.785 -4.520 14.212 1.00 0.00 C ATOM 1707 OG1 THR A 107 -4.616 -4.939 14.895 1.00 0.00 O ATOM 1708 CG2 THR A 107 -6.859 -4.277 15.249 1.00 0.00 C ATOM 0 H THR A 107 -4.406 -5.020 12.181 1.00 0.00 H new ATOM 0 HA THR A 107 -6.408 -6.492 13.650 1.00 0.00 H new ATOM 0 HB THR A 107 -5.613 -3.593 13.666 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.372 -4.269 15.567 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.508 -3.539 15.970 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.760 -3.907 14.760 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.084 -5.210 15.765 1.00 0.00 H new ATOM 1716 N MET A 108 -7.250 -4.543 11.217 1.00 0.00 N ATOM 1717 CA MET A 108 -8.361 -4.078 10.413 1.00 0.00 C ATOM 1718 C MET A 108 -8.974 -5.243 9.647 1.00 0.00 C ATOM 1719 O MET A 108 -10.167 -5.243 9.351 1.00 0.00 O ATOM 1720 CB MET A 108 -7.890 -2.993 9.446 1.00 0.00 C ATOM 1721 CG MET A 108 -8.065 -1.583 9.988 1.00 0.00 C ATOM 1722 SD MET A 108 -7.241 -1.338 11.572 1.00 0.00 S ATOM 1723 CE MET A 108 -8.643 -1.319 12.685 1.00 0.00 C ATOM 0 H MET A 108 -6.335 -4.421 10.784 1.00 0.00 H new ATOM 0 HA MET A 108 -9.121 -3.654 11.069 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.838 -3.157 9.213 1.00 0.00 H new ATOM 0 HB3 MET A 108 -8.442 -3.086 8.511 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.672 -0.869 9.264 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.128 -1.371 10.100 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.370 -0.804 13.606 1.00 0.00 H new ATOM 0 HE2 MET A 108 -9.476 -0.799 12.212 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.938 -2.343 12.916 1.00 0.00 H new ATOM 1733 N MET A 109 -8.149 -6.243 9.341 1.00 0.00 N ATOM 1734 CA MET A 109 -8.610 -7.421 8.619 1.00 0.00 C ATOM 1735 C MET A 109 -9.223 -8.447 9.573 1.00 0.00 C ATOM 1736 O MET A 109 -9.677 -9.503 9.141 1.00 0.00 O ATOM 1737 CB MET A 109 -7.458 -8.053 7.832 1.00 0.00 C ATOM 1738 CG MET A 109 -6.455 -8.802 8.697 1.00 0.00 C ATOM 1739 SD MET A 109 -5.219 -9.683 7.723 1.00 0.00 S ATOM 1740 CE MET A 109 -6.268 -10.657 6.647 1.00 0.00 C ATOM 0 H MET A 109 -7.158 -6.258 9.583 1.00 0.00 H new ATOM 0 HA MET A 109 -9.382 -7.103 7.919 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.870 -8.741 7.094 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.935 -7.271 7.282 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.954 -8.096 9.360 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.986 -9.512 9.331 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.862 -11.665 6.558 1.00 0.00 H new ATOM 0 HE2 MET A 109 -7.273 -10.706 7.066 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.308 -10.194 5.661 1.00 0.00 H new ATOM 1750 N SER A 110 -9.239 -8.137 10.868 1.00 0.00 N ATOM 1751 CA SER A 110 -9.812 -9.045 11.854 1.00 0.00 C ATOM 1752 C SER A 110 -11.191 -8.561 12.287 1.00 0.00 C ATOM 1753 O SER A 110 -12.023 -9.349 12.737 1.00 0.00 O ATOM 1754 CB SER A 110 -8.892 -9.169 13.070 1.00 0.00 C ATOM 1755 OG SER A 110 -8.925 -7.993 13.859 1.00 0.00 O ATOM 0 H SER A 110 -8.864 -7.271 11.255 1.00 0.00 H new ATOM 0 HA SER A 110 -9.915 -10.028 11.394 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.196 -10.024 13.674 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.871 -9.360 12.739 1.00 0.00 H new ATOM 0 HG SER A 110 -8.769 -7.212 13.288 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.431 -7.264 12.135 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.715 -6.680 12.497 1.00 0.00 C ATOM 1763 C VAL A 111 -13.764 -6.959 11.423 1.00 0.00 C ATOM 1764 O VAL A 111 -14.955 -6.736 11.639 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.600 -5.158 12.707 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -13.914 -4.587 13.220 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -11.462 -4.834 13.664 1.00 0.00 C ATOM 0 H VAL A 111 -10.753 -6.598 11.764 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.024 -7.144 13.434 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.379 -4.695 11.745 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -13.812 -3.511 13.362 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.704 -4.784 12.495 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -14.168 -5.056 14.171 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.397 -3.754 13.800 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -11.649 -5.310 14.627 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -10.524 -5.205 13.252 1.00 0.00 H new ATOM 1777 N HIS A 112 -13.320 -7.448 10.265 1.00 0.00 N ATOM 1778 CA HIS A 112 -14.224 -7.753 9.172 1.00 0.00 C ATOM 1779 C HIS A 112 -14.914 -9.095 9.396 1.00 0.00 C ATOM 1780 O HIS A 112 -16.025 -9.320 8.915 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.457 -7.763 7.851 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.767 -9.056 7.551 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -12.071 -9.783 8.490 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -12.680 -9.751 6.402 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -11.587 -10.875 7.925 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -11.944 -10.879 6.657 1.00 0.00 N ATOM 0 H HIS A 112 -12.338 -7.639 10.066 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.992 -6.981 9.132 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -14.150 -7.537 7.040 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.716 -6.964 7.868 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -13.111 -9.471 5.452 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -10.999 -11.635 8.419 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -11.711 -11.602 5.977 1.00 0.00 H new ATOM 1795 N ARG A 113 -14.247 -9.987 10.126 1.00 0.00 N ATOM 1796 CA ARG A 113 -14.800 -11.305 10.406 1.00 0.00 C ATOM 1797 C ARG A 113 -16.012 -11.202 11.326 1.00 0.00 C ATOM 1798 O ARG A 113 -16.952 -11.990 11.224 1.00 0.00 O ATOM 1799 CB ARG A 113 -13.737 -12.206 11.038 1.00 0.00 C ATOM 1800 CG ARG A 113 -13.027 -13.102 10.037 1.00 0.00 C ATOM 1801 CD ARG A 113 -11.615 -13.440 10.491 1.00 0.00 C ATOM 1802 NE ARG A 113 -11.482 -14.845 10.870 1.00 0.00 N ATOM 1803 CZ ARG A 113 -11.877 -15.337 12.043 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -12.428 -14.543 12.953 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -11.721 -16.627 12.306 1.00 0.00 N ATOM 0 H ARG A 113 -13.326 -9.819 10.532 1.00 0.00 H new ATOM 0 HA ARG A 113 -15.121 -11.745 9.462 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.999 -11.584 11.544 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -14.206 -12.827 11.801 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.597 -14.022 9.903 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.989 -12.606 9.067 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.913 -13.213 9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.346 -12.809 11.338 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.062 -15.486 10.197 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -12.551 -13.550 12.756 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -12.728 -14.926 13.849 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.299 -17.242 11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.023 -17.005 13.204 1.00 0.00 H new