USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 693 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 69 GLN : amide:sc= -2.98! C(o=-7.3!,f=-20!) USER MOD Set 1.2: A 78 MET CE :methyl -125:sc= -4.37! (180deg=-3.94!) USER MOD Set 2.1: A 68 CYS SG : rot 180:sc= 0.978 USER MOD Set 2.2: A 75 TYR OH : rot -127:sc= 0.911 USER MOD Set 3.1: A 55 SER OG : rot 100:sc= 0.413 USER MOD Set 3.2: A 92 LYS NZ :NH3+ -112:sc= -1.57! (180deg=-2.36!) USER MOD Set 4.1: A 27 TYR OH : rot 165:sc= 0 USER MOD Set 4.2: A 45 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 20 ASN : amide:sc= -2.29 K(o=-2.3,f=-6.1!) USER MOD Single : A 25 SER OG : rot -108:sc= 0.132 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0505 USER MOD Single : A 36 THR OG1 : rot 90:sc= 0.00605 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -47:sc= 0.861 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 71:sc= -0.593 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -120:sc= -6! (180deg=-12!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -153:sc= 1.2 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.1) USER MOD Single : A 87 TYR OH : rot 35:sc= 0.372 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 72:sc= 0.0341 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HE2:sc= 0.0104 K(o=0.01,f=-1.2) USER MOD Single : A 102 SER OG : rot -39:sc= 0.79 USER MOD Single : A 105 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00383) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 241 N ASN A 20 2.979 18.598 -1.414 1.00 0.00 N ATOM 242 CA ASN A 20 1.985 18.341 -0.378 1.00 0.00 C ATOM 243 C ASN A 20 1.517 16.889 -0.422 1.00 0.00 C ATOM 244 O ASN A 20 0.962 16.420 -1.416 1.00 0.00 O ATOM 245 CB ASN A 20 0.789 19.280 -0.546 1.00 0.00 C ATOM 246 CG ASN A 20 -0.233 19.118 0.563 1.00 0.00 C ATOM 247 OD1 ASN A 20 0.101 18.713 1.676 1.00 0.00 O ATOM 248 ND2 ASN A 20 -1.487 19.434 0.262 1.00 0.00 N ATOM 0 HA ASN A 20 2.449 18.525 0.591 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.140 20.312 -0.565 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.312 19.088 -1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.219 19.345 0.967 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.719 19.766 -0.674 1.00 0.00 H new ATOM 255 N PRO A 21 1.743 16.161 0.681 1.00 0.00 N ATOM 256 CA PRO A 21 1.351 14.753 0.794 1.00 0.00 C ATOM 257 C PRO A 21 -0.162 14.577 0.870 1.00 0.00 C ATOM 258 O PRO A 21 -0.703 13.574 0.406 1.00 0.00 O ATOM 259 CB PRO A 21 2.007 14.306 2.103 1.00 0.00 C ATOM 260 CG PRO A 21 2.154 15.556 2.900 1.00 0.00 C ATOM 261 CD PRO A 21 2.399 16.656 1.903 1.00 0.00 C ATOM 0 HA PRO A 21 1.662 14.173 -0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.390 13.574 2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.974 13.837 1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.256 15.753 3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.983 15.475 3.604 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.970 17.602 2.234 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.464 16.827 1.746 1.00 0.00 H new ATOM 269 N ALA A 22 -0.839 15.558 1.457 1.00 0.00 N ATOM 270 CA ALA A 22 -2.289 15.512 1.591 1.00 0.00 C ATOM 271 C ALA A 22 -2.957 15.243 0.246 1.00 0.00 C ATOM 272 O ALA A 22 -3.877 14.431 0.150 1.00 0.00 O ATOM 273 CB ALA A 22 -2.806 16.813 2.188 1.00 0.00 C ATOM 0 H ALA A 22 -0.406 16.395 1.848 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.541 14.691 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.891 16.764 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.363 16.963 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.535 17.645 1.538 1.00 0.00 H new ATOM 279 N LEU A 23 -2.487 15.931 -0.789 1.00 0.00 N ATOM 280 CA LEU A 23 -3.039 15.766 -2.130 1.00 0.00 C ATOM 281 C LEU A 23 -2.796 14.353 -2.649 1.00 0.00 C ATOM 282 O LEU A 23 -3.698 13.718 -3.196 1.00 0.00 O ATOM 283 CB LEU A 23 -2.420 16.787 -3.086 1.00 0.00 C ATOM 284 CG LEU A 23 -2.882 18.235 -2.914 1.00 0.00 C ATOM 285 CD1 LEU A 23 -1.967 19.181 -3.674 1.00 0.00 C ATOM 286 CD2 LEU A 23 -4.322 18.393 -3.379 1.00 0.00 C ATOM 0 H LEU A 23 -1.726 16.607 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.115 15.933 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.337 16.756 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.638 16.476 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.833 18.489 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.311 20.206 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.950 19.087 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.983 18.929 -4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.635 19.429 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.396 18.120 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.968 17.743 -2.789 1.00 0.00 H new ATOM 298 N VAL A 24 -1.572 13.865 -2.472 1.00 0.00 N ATOM 299 CA VAL A 24 -1.211 12.526 -2.920 1.00 0.00 C ATOM 300 C VAL A 24 -2.188 11.485 -2.385 1.00 0.00 C ATOM 301 O VAL A 24 -2.551 11.506 -1.209 1.00 0.00 O ATOM 302 CB VAL A 24 0.215 12.151 -2.476 1.00 0.00 C ATOM 303 CG1 VAL A 24 0.565 10.743 -2.934 1.00 0.00 C ATOM 304 CG2 VAL A 24 1.222 13.160 -3.009 1.00 0.00 C ATOM 0 H VAL A 24 -0.814 14.378 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.254 12.535 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 24 0.255 12.173 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.576 10.496 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.138 10.033 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.508 10.689 -4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.224 12.879 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.182 13.173 -4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.981 14.152 -2.626 1.00 0.00 H new ATOM 314 N SER A 25 -2.611 10.575 -3.257 1.00 0.00 N ATOM 315 CA SER A 25 -3.550 9.527 -2.873 1.00 0.00 C ATOM 316 C SER A 25 -3.232 8.222 -3.596 1.00 0.00 C ATOM 317 O SER A 25 -2.593 8.222 -4.648 1.00 0.00 O ATOM 318 CB SER A 25 -4.984 9.959 -3.184 1.00 0.00 C ATOM 319 OG SER A 25 -5.800 8.840 -3.482 1.00 0.00 O ATOM 0 H SER A 25 -2.319 10.542 -4.234 1.00 0.00 H new ATOM 0 HA SER A 25 -3.453 9.361 -1.800 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.398 10.498 -2.332 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.984 10.649 -4.028 1.00 0.00 H new ATOM 0 HG SER A 25 -6.004 8.830 -4.440 1.00 0.00 H new ATOM 325 N ALA A 26 -3.683 7.111 -3.023 1.00 0.00 N ATOM 326 CA ALA A 26 -3.449 5.798 -3.613 1.00 0.00 C ATOM 327 C ALA A 26 -4.706 4.937 -3.551 1.00 0.00 C ATOM 328 O ALA A 26 -5.315 4.786 -2.492 1.00 0.00 O ATOM 329 CB ALA A 26 -2.294 5.102 -2.909 1.00 0.00 C ATOM 0 H ALA A 26 -4.212 7.094 -2.151 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.188 5.939 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.130 4.123 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.391 5.704 -3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.532 4.980 -1.852 1.00 0.00 H new ATOM 335 N TYR A 27 -5.089 4.374 -4.692 1.00 0.00 N ATOM 336 CA TYR A 27 -6.275 3.530 -4.767 1.00 0.00 C ATOM 337 C TYR A 27 -6.238 2.647 -6.011 1.00 0.00 C ATOM 338 O TYR A 27 -5.446 2.876 -6.924 1.00 0.00 O ATOM 339 CB TYR A 27 -7.539 4.391 -4.777 1.00 0.00 C ATOM 340 CG TYR A 27 -7.519 5.484 -5.821 1.00 0.00 C ATOM 341 CD1 TYR A 27 -7.741 5.195 -7.162 1.00 0.00 C ATOM 342 CD2 TYR A 27 -7.280 6.806 -5.467 1.00 0.00 C ATOM 343 CE1 TYR A 27 -7.722 6.191 -8.120 1.00 0.00 C ATOM 344 CE2 TYR A 27 -7.261 7.809 -6.417 1.00 0.00 C ATOM 345 CZ TYR A 27 -7.483 7.496 -7.742 1.00 0.00 C ATOM 346 OH TYR A 27 -7.465 8.491 -8.693 1.00 0.00 O ATOM 0 H TYR A 27 -4.595 4.487 -5.577 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.288 2.887 -3.887 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.404 3.750 -4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.669 4.842 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.932 4.175 -7.461 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.106 7.054 -4.430 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.893 5.949 -9.159 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.074 8.831 -6.124 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.524 9.365 -8.253 1.00 0.00 H new ATOM 356 N GLY A 28 -7.102 1.637 -6.038 1.00 0.00 N ATOM 357 CA GLY A 28 -7.152 0.735 -7.174 1.00 0.00 C ATOM 358 C GLY A 28 -7.789 -0.597 -6.828 1.00 0.00 C ATOM 359 O GLY A 28 -8.699 -0.663 -6.001 1.00 0.00 O ATOM 0 H GLY A 28 -7.768 1.427 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.713 1.204 -7.982 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.141 0.566 -7.545 1.00 0.00 H new ATOM 363 N THR A 29 -7.311 -1.662 -7.464 1.00 0.00 N ATOM 364 CA THR A 29 -7.841 -2.998 -7.221 1.00 0.00 C ATOM 365 C THR A 29 -6.946 -3.780 -6.267 1.00 0.00 C ATOM 366 O THR A 29 -7.397 -4.708 -5.597 1.00 0.00 O ATOM 367 CB THR A 29 -7.988 -3.791 -8.534 1.00 0.00 C ATOM 368 OG1 THR A 29 -8.665 -2.996 -9.513 1.00 0.00 O ATOM 369 CG2 THR A 29 -8.756 -5.083 -8.303 1.00 0.00 C ATOM 0 H THR A 29 -6.558 -1.625 -8.151 1.00 0.00 H new ATOM 0 HA THR A 29 -8.825 -2.870 -6.769 1.00 0.00 H new ATOM 0 HB THR A 29 -6.990 -4.040 -8.896 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.753 -3.506 -10.345 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.847 -5.625 -9.244 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.222 -5.699 -7.579 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.750 -4.852 -7.920 1.00 0.00 H new ATOM 377 N GLY A 30 -5.673 -3.398 -6.209 1.00 0.00 N ATOM 378 CA GLY A 30 -4.735 -4.074 -5.332 1.00 0.00 C ATOM 379 C GLY A 30 -4.794 -3.555 -3.909 1.00 0.00 C ATOM 380 O GLY A 30 -4.245 -4.169 -2.993 1.00 0.00 O ATOM 0 H GLY A 30 -5.275 -2.633 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.946 -5.143 -5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.724 -3.948 -5.720 1.00 0.00 H new ATOM 384 N LEU A 31 -5.461 -2.421 -3.722 1.00 0.00 N ATOM 385 CA LEU A 31 -5.589 -1.818 -2.400 1.00 0.00 C ATOM 386 C LEU A 31 -6.961 -2.108 -1.800 1.00 0.00 C ATOM 387 O LEU A 31 -7.148 -2.023 -0.586 1.00 0.00 O ATOM 388 CB LEU A 31 -5.364 -0.307 -2.482 1.00 0.00 C ATOM 389 CG LEU A 31 -3.955 0.141 -2.873 1.00 0.00 C ATOM 390 CD1 LEU A 31 -3.917 1.645 -3.096 1.00 0.00 C ATOM 391 CD2 LEU A 31 -2.950 -0.267 -1.806 1.00 0.00 C ATOM 0 H LEU A 31 -5.921 -1.901 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.830 -2.257 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.069 0.107 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.607 0.130 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.683 -0.352 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.907 1.946 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.608 1.912 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.209 2.156 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.953 0.060 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.218 0.197 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.958 -1.351 -1.694 1.00 0.00 H new ATOM 403 N GLU A 32 -7.916 -2.452 -2.658 1.00 0.00 N ATOM 404 CA GLU A 32 -9.270 -2.756 -2.211 1.00 0.00 C ATOM 405 C GLU A 32 -9.340 -4.150 -1.595 1.00 0.00 C ATOM 406 O GLU A 32 -10.172 -4.416 -0.729 1.00 0.00 O ATOM 407 CB GLU A 32 -10.252 -2.653 -3.381 1.00 0.00 C ATOM 408 CG GLU A 32 -10.252 -3.876 -4.283 1.00 0.00 C ATOM 409 CD GLU A 32 -11.414 -3.880 -5.258 1.00 0.00 C ATOM 410 OE1 GLU A 32 -11.604 -2.865 -5.960 1.00 0.00 O ATOM 411 OE2 GLU A 32 -12.132 -4.900 -5.319 1.00 0.00 O ATOM 0 H GLU A 32 -7.777 -2.527 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.546 -2.027 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.257 -2.501 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.005 -1.773 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.315 -3.913 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.294 -4.776 -3.669 1.00 0.00 H new ATOM 418 N GLY A 33 -8.459 -5.036 -2.049 1.00 0.00 N ATOM 419 CA GLY A 33 -8.438 -6.392 -1.533 1.00 0.00 C ATOM 420 C GLY A 33 -7.261 -7.193 -2.053 1.00 0.00 C ATOM 421 O GLY A 33 -6.489 -6.708 -2.880 1.00 0.00 O ATOM 0 H GLY A 33 -7.760 -4.839 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.400 -6.362 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.365 -6.896 -1.806 1.00 0.00 H new ATOM 425 N GLY A 34 -7.121 -8.422 -1.567 1.00 0.00 N ATOM 426 CA GLY A 34 -6.026 -9.271 -1.998 1.00 0.00 C ATOM 427 C GLY A 34 -6.493 -10.430 -2.855 1.00 0.00 C ATOM 428 O GLY A 34 -7.064 -11.397 -2.349 1.00 0.00 O ATOM 0 H GLY A 34 -7.747 -8.845 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.307 -8.674 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.504 -9.658 -1.123 1.00 0.00 H new ATOM 432 N THR A 35 -6.252 -10.334 -4.159 1.00 0.00 N ATOM 433 CA THR A 35 -6.655 -11.382 -5.090 1.00 0.00 C ATOM 434 C THR A 35 -5.512 -12.356 -5.349 1.00 0.00 C ATOM 435 O THR A 35 -4.551 -12.031 -6.048 1.00 0.00 O ATOM 436 CB THR A 35 -7.125 -10.790 -6.432 1.00 0.00 C ATOM 437 OG1 THR A 35 -6.440 -9.560 -6.692 1.00 0.00 O ATOM 438 CG2 THR A 35 -8.627 -10.548 -6.421 1.00 0.00 C ATOM 0 H THR A 35 -5.780 -9.542 -4.594 1.00 0.00 H new ATOM 0 HA THR A 35 -7.485 -11.916 -4.626 1.00 0.00 H new ATOM 0 HB THR A 35 -6.895 -11.507 -7.220 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.743 -9.191 -7.548 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.935 -10.130 -7.379 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.146 -11.491 -6.253 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.877 -9.849 -5.623 1.00 0.00 H new ATOM 446 N THR A 36 -5.621 -13.554 -4.782 1.00 0.00 N ATOM 447 CA THR A 36 -4.596 -14.576 -4.952 1.00 0.00 C ATOM 448 C THR A 36 -4.692 -15.228 -6.326 1.00 0.00 C ATOM 449 O THR A 36 -5.655 -15.934 -6.623 1.00 0.00 O ATOM 450 CB THR A 36 -4.706 -15.666 -3.870 1.00 0.00 C ATOM 451 OG1 THR A 36 -5.233 -15.107 -2.662 1.00 0.00 O ATOM 452 CG2 THR A 36 -3.347 -16.293 -3.593 1.00 0.00 C ATOM 0 H THR A 36 -6.409 -13.840 -4.201 1.00 0.00 H new ATOM 0 HA THR A 36 -3.632 -14.076 -4.857 1.00 0.00 H new ATOM 0 HB THR A 36 -5.379 -16.441 -4.235 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.211 -15.171 -2.672 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.450 -17.060 -2.825 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.961 -16.744 -4.507 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.655 -15.525 -3.248 1.00 0.00 H new ATOM 460 N GLY A 37 -3.687 -14.988 -7.162 1.00 0.00 N ATOM 461 CA GLY A 37 -3.678 -15.560 -8.496 1.00 0.00 C ATOM 462 C GLY A 37 -3.880 -14.517 -9.576 1.00 0.00 C ATOM 463 O GLY A 37 -3.615 -14.771 -10.752 1.00 0.00 O ATOM 0 H GLY A 37 -2.878 -14.407 -6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.730 -16.071 -8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.463 -16.312 -8.571 1.00 0.00 H new ATOM 467 N ILE A 38 -4.351 -13.340 -9.179 1.00 0.00 N ATOM 468 CA ILE A 38 -4.589 -12.254 -10.122 1.00 0.00 C ATOM 469 C ILE A 38 -3.636 -11.090 -9.873 1.00 0.00 C ATOM 470 O ILE A 38 -3.263 -10.814 -8.733 1.00 0.00 O ATOM 471 CB ILE A 38 -6.039 -11.743 -10.038 1.00 0.00 C ATOM 472 CG1 ILE A 38 -7.019 -12.917 -10.063 1.00 0.00 C ATOM 473 CG2 ILE A 38 -6.328 -10.779 -11.179 1.00 0.00 C ATOM 474 CD1 ILE A 38 -8.469 -12.492 -10.146 1.00 0.00 C ATOM 0 H ILE A 38 -4.576 -13.114 -8.210 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.412 -12.658 -11.119 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.166 -11.209 -9.097 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.787 -13.556 -10.915 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.876 -13.519 -9.165 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.357 -10.427 -11.106 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.648 -9.929 -11.118 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.186 -11.290 -12.131 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.107 -13.376 -10.160 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.718 -11.878 -9.281 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.628 -11.916 -11.058 1.00 0.00 H new ATOM 486 N GLN A 39 -3.246 -10.411 -10.947 1.00 0.00 N ATOM 487 CA GLN A 39 -2.337 -9.276 -10.844 1.00 0.00 C ATOM 488 C GLN A 39 -3.109 -7.979 -10.621 1.00 0.00 C ATOM 489 O GLN A 39 -3.937 -7.589 -11.444 1.00 0.00 O ATOM 490 CB GLN A 39 -1.482 -9.164 -12.108 1.00 0.00 C ATOM 491 CG GLN A 39 -0.690 -7.869 -12.193 1.00 0.00 C ATOM 492 CD GLN A 39 -0.085 -7.645 -13.565 1.00 0.00 C ATOM 493 OE1 GLN A 39 -0.793 -7.353 -14.529 1.00 0.00 O ATOM 494 NE2 GLN A 39 1.233 -7.782 -13.661 1.00 0.00 N ATOM 0 H GLN A 39 -3.545 -10.627 -11.898 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.685 -9.441 -9.986 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.791 -10.006 -12.145 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.128 -9.243 -12.982 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.343 -7.031 -11.947 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.105 -7.884 -11.447 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.782 -8.025 -12.836 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.696 -7.644 -14.559 1.00 0.00 H new ATOM 503 N SER A 40 -2.831 -7.316 -9.503 1.00 0.00 N ATOM 504 CA SER A 40 -3.502 -6.065 -9.170 1.00 0.00 C ATOM 505 C SER A 40 -2.586 -4.872 -9.426 1.00 0.00 C ATOM 506 O SER A 40 -1.371 -5.024 -9.545 1.00 0.00 O ATOM 507 CB SER A 40 -3.949 -6.075 -7.707 1.00 0.00 C ATOM 508 OG SER A 40 -4.713 -7.232 -7.415 1.00 0.00 O ATOM 0 H SER A 40 -2.146 -7.624 -8.813 1.00 0.00 H new ATOM 0 HA SER A 40 -4.379 -5.971 -9.810 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.075 -6.039 -7.056 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.540 -5.183 -7.498 1.00 0.00 H new ATOM 0 HG SER A 40 -4.985 -7.215 -6.474 1.00 0.00 H new ATOM 514 N GLU A 41 -3.179 -3.685 -9.510 1.00 0.00 N ATOM 515 CA GLU A 41 -2.417 -2.466 -9.753 1.00 0.00 C ATOM 516 C GLU A 41 -3.112 -1.258 -9.133 1.00 0.00 C ATOM 517 O GLU A 41 -4.320 -1.076 -9.286 1.00 0.00 O ATOM 518 CB GLU A 41 -2.230 -2.246 -11.255 1.00 0.00 C ATOM 519 CG GLU A 41 -3.535 -2.059 -12.010 1.00 0.00 C ATOM 520 CD GLU A 41 -3.980 -0.610 -12.055 1.00 0.00 C ATOM 521 OE1 GLU A 41 -3.148 0.276 -11.769 1.00 0.00 O ATOM 522 OE2 GLU A 41 -5.162 -0.362 -12.377 1.00 0.00 O ATOM 0 H GLU A 41 -4.184 -3.542 -9.413 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.439 -2.580 -9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.602 -1.369 -11.410 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.696 -3.099 -11.675 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.418 -2.431 -13.028 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.313 -2.660 -11.538 1.00 0.00 H new ATOM 529 N PHE A 42 -2.340 -0.434 -8.431 1.00 0.00 N ATOM 530 CA PHE A 42 -2.881 0.757 -7.787 1.00 0.00 C ATOM 531 C PHE A 42 -2.064 1.993 -8.154 1.00 0.00 C ATOM 532 O PHE A 42 -0.852 2.035 -7.943 1.00 0.00 O ATOM 533 CB PHE A 42 -2.898 0.577 -6.267 1.00 0.00 C ATOM 534 CG PHE A 42 -1.551 0.755 -5.627 1.00 0.00 C ATOM 535 CD1 PHE A 42 -1.101 2.015 -5.267 1.00 0.00 C ATOM 536 CD2 PHE A 42 -0.734 -0.338 -5.386 1.00 0.00 C ATOM 537 CE1 PHE A 42 0.138 2.183 -4.678 1.00 0.00 C ATOM 538 CE2 PHE A 42 0.506 -0.176 -4.796 1.00 0.00 C ATOM 539 CZ PHE A 42 0.943 1.085 -4.443 1.00 0.00 C ATOM 0 H PHE A 42 -1.338 -0.570 -8.294 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.902 0.899 -8.142 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.595 1.293 -5.832 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.275 -0.418 -6.031 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.726 2.877 -5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.069 -1.327 -5.662 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.476 3.171 -4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.133 -1.036 -4.611 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.912 1.213 -3.984 1.00 0.00 H new ATOM 549 N PHE A 43 -2.738 2.997 -8.707 1.00 0.00 N ATOM 550 CA PHE A 43 -2.076 4.233 -9.106 1.00 0.00 C ATOM 551 C PHE A 43 -2.000 5.211 -7.937 1.00 0.00 C ATOM 552 O PHE A 43 -2.727 5.076 -6.952 1.00 0.00 O ATOM 553 CB PHE A 43 -2.818 4.878 -10.278 1.00 0.00 C ATOM 554 CG PHE A 43 -2.659 4.132 -11.572 1.00 0.00 C ATOM 555 CD1 PHE A 43 -1.565 4.363 -12.390 1.00 0.00 C ATOM 556 CD2 PHE A 43 -3.603 3.199 -11.970 1.00 0.00 C ATOM 557 CE1 PHE A 43 -1.415 3.678 -13.581 1.00 0.00 C ATOM 558 CE2 PHE A 43 -3.458 2.511 -13.159 1.00 0.00 C ATOM 559 CZ PHE A 43 -2.364 2.751 -13.967 1.00 0.00 C ATOM 0 H PHE A 43 -3.742 2.978 -8.889 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.061 3.988 -9.418 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.878 4.944 -10.034 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.457 5.898 -10.409 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.820 5.087 -12.093 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.462 3.008 -11.344 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.557 3.867 -14.209 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.200 1.785 -13.457 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.251 2.216 -14.898 1.00 0.00 H new ATOM 569 N ILE A 44 -1.116 6.196 -8.054 1.00 0.00 N ATOM 570 CA ILE A 44 -0.945 7.197 -7.008 1.00 0.00 C ATOM 571 C ILE A 44 -1.194 8.602 -7.546 1.00 0.00 C ATOM 572 O ILE A 44 -0.359 9.163 -8.254 1.00 0.00 O ATOM 573 CB ILE A 44 0.467 7.137 -6.396 1.00 0.00 C ATOM 574 CG1 ILE A 44 0.650 5.838 -5.608 1.00 0.00 C ATOM 575 CG2 ILE A 44 0.709 8.344 -5.502 1.00 0.00 C ATOM 576 CD1 ILE A 44 2.062 5.630 -5.106 1.00 0.00 C ATOM 0 H ILE A 44 -0.507 6.322 -8.863 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.678 6.972 -6.233 1.00 0.00 H new ATOM 0 HB ILE A 44 1.198 7.156 -7.204 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.033 5.839 -4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.370 4.996 -6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.711 8.287 -5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.616 9.257 -6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.026 8.354 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.118 4.690 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.748 5.597 -5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.339 6.453 -4.447 1.00 0.00 H new ATOM 588 N ASN A 45 -2.348 9.165 -7.204 1.00 0.00 N ATOM 589 CA ASN A 45 -2.708 10.505 -7.651 1.00 0.00 C ATOM 590 C ASN A 45 -1.665 11.526 -7.204 1.00 0.00 C ATOM 591 O ASN A 45 -1.824 12.183 -6.174 1.00 0.00 O ATOM 592 CB ASN A 45 -4.084 10.895 -7.109 1.00 0.00 C ATOM 593 CG ASN A 45 -4.737 11.995 -7.924 1.00 0.00 C ATOM 594 OD1 ASN A 45 -4.357 13.162 -7.828 1.00 0.00 O ATOM 595 ND2 ASN A 45 -5.724 11.626 -8.731 1.00 0.00 N ATOM 0 H ASN A 45 -3.050 8.713 -6.618 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.743 10.500 -8.740 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.731 10.018 -7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.984 11.224 -6.075 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.201 12.322 -9.304 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.005 10.647 -8.778 1.00 0.00 H new ATOM 602 N THR A 46 -0.597 11.654 -7.985 1.00 0.00 N ATOM 603 CA THR A 46 0.472 12.593 -7.670 1.00 0.00 C ATOM 604 C THR A 46 0.636 13.630 -8.776 1.00 0.00 C ATOM 605 O THR A 46 1.736 14.131 -9.014 1.00 0.00 O ATOM 606 CB THR A 46 1.813 11.867 -7.459 1.00 0.00 C ATOM 607 OG1 THR A 46 2.804 12.793 -6.999 1.00 0.00 O ATOM 608 CG2 THR A 46 2.283 11.212 -8.749 1.00 0.00 C ATOM 0 H THR A 46 -0.450 11.119 -8.841 1.00 0.00 H new ATOM 0 HA THR A 46 0.190 13.095 -6.744 1.00 0.00 H new ATOM 0 HB THR A 46 1.666 11.090 -6.709 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.779 13.601 -7.553 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.232 10.705 -8.575 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.540 10.487 -9.080 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.414 11.974 -9.517 1.00 0.00 H new ATOM 616 N THR A 47 -0.464 13.949 -9.451 1.00 0.00 N ATOM 617 CA THR A 47 -0.441 14.926 -10.532 1.00 0.00 C ATOM 618 C THR A 47 -0.570 16.346 -9.993 1.00 0.00 C ATOM 619 O THR A 47 -0.168 17.307 -10.648 1.00 0.00 O ATOM 620 CB THR A 47 -1.573 14.669 -11.545 1.00 0.00 C ATOM 621 OG1 THR A 47 -2.833 15.039 -10.976 1.00 0.00 O ATOM 622 CG2 THR A 47 -1.607 13.205 -11.958 1.00 0.00 C ATOM 0 H THR A 47 -1.382 13.545 -9.268 1.00 0.00 H new ATOM 0 HA THR A 47 0.520 14.818 -11.036 1.00 0.00 H new ATOM 0 HB THR A 47 -1.383 15.276 -12.430 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.547 14.874 -11.627 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.414 13.047 -12.673 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.656 12.935 -12.418 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.775 12.583 -11.079 1.00 0.00 H new ATOM 630 N ARG A 48 -1.133 16.470 -8.795 1.00 0.00 N ATOM 631 CA ARG A 48 -1.315 17.774 -8.168 1.00 0.00 C ATOM 632 C ARG A 48 -0.170 18.080 -7.208 1.00 0.00 C ATOM 633 O ARG A 48 0.181 19.240 -6.994 1.00 0.00 O ATOM 634 CB ARG A 48 -2.649 17.822 -7.421 1.00 0.00 C ATOM 635 CG ARG A 48 -3.817 18.265 -8.287 1.00 0.00 C ATOM 636 CD ARG A 48 -3.919 19.781 -8.351 1.00 0.00 C ATOM 637 NE ARG A 48 -4.845 20.223 -9.391 1.00 0.00 N ATOM 638 CZ ARG A 48 -4.581 20.147 -10.691 1.00 0.00 C ATOM 639 NH1 ARG A 48 -3.426 19.647 -11.108 1.00 0.00 N ATOM 640 NH2 ARG A 48 -5.474 20.570 -11.576 1.00 0.00 N ATOM 0 H ARG A 48 -1.471 15.684 -8.240 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.319 18.530 -8.953 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.864 16.834 -7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.557 18.502 -6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.698 17.864 -9.294 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.744 17.853 -7.888 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.249 20.163 -7.385 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.932 20.203 -8.541 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.743 20.611 -9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.738 19.320 -10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.226 19.590 -12.107 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.364 20.954 -11.259 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.271 20.511 -12.574 1.00 0.00 H new ATOM 654 N ALA A 49 0.408 17.031 -6.631 1.00 0.00 N ATOM 655 CA ALA A 49 1.514 17.188 -5.694 1.00 0.00 C ATOM 656 C ALA A 49 2.816 17.488 -6.428 1.00 0.00 C ATOM 657 O ALA A 49 3.456 18.510 -6.185 1.00 0.00 O ATOM 658 CB ALA A 49 1.663 15.938 -4.840 1.00 0.00 C ATOM 0 H ALA A 49 0.129 16.064 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 49 1.291 18.034 -5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.492 16.069 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.743 15.768 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.860 15.080 -5.482 1.00 0.00 H new ATOM 664 N GLY A 50 3.204 16.588 -7.327 1.00 0.00 N ATOM 665 CA GLY A 50 4.430 16.775 -8.082 1.00 0.00 C ATOM 666 C GLY A 50 5.420 15.647 -7.868 1.00 0.00 C ATOM 667 O GLY A 50 5.503 15.062 -6.788 1.00 0.00 O ATOM 0 H GLY A 50 2.692 15.734 -7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.192 16.849 -9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.891 17.719 -7.792 1.00 0.00 H new ATOM 671 N PRO A 51 6.193 15.327 -8.916 1.00 0.00 N ATOM 672 CA PRO A 51 7.195 14.258 -8.863 1.00 0.00 C ATOM 673 C PRO A 51 8.381 14.619 -7.975 1.00 0.00 C ATOM 674 O PRO A 51 9.257 15.385 -8.373 1.00 0.00 O ATOM 675 CB PRO A 51 7.642 14.119 -10.321 1.00 0.00 C ATOM 676 CG PRO A 51 7.371 15.451 -10.930 1.00 0.00 C ATOM 677 CD PRO A 51 6.148 15.983 -10.234 1.00 0.00 C ATOM 0 HA PRO A 51 6.790 13.340 -8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.699 13.861 -10.388 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.088 13.331 -10.831 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.220 16.122 -10.795 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.202 15.362 -12.003 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.177 17.069 -10.144 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.236 15.733 -10.776 1.00 0.00 H new ATOM 685 N GLY A 52 8.401 14.062 -6.768 1.00 0.00 N ATOM 686 CA GLY A 52 9.484 14.337 -5.842 1.00 0.00 C ATOM 687 C GLY A 52 10.192 13.076 -5.386 1.00 0.00 C ATOM 688 O GLY A 52 11.204 12.679 -5.963 1.00 0.00 O ATOM 0 H GLY A 52 7.687 13.425 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.204 15.003 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.090 14.863 -4.973 1.00 0.00 H new ATOM 692 N THR A 53 9.659 12.445 -4.344 1.00 0.00 N ATOM 693 CA THR A 53 10.247 11.224 -3.809 1.00 0.00 C ATOM 694 C THR A 53 9.277 10.053 -3.916 1.00 0.00 C ATOM 695 O THR A 53 8.060 10.236 -3.865 1.00 0.00 O ATOM 696 CB THR A 53 10.662 11.399 -2.335 1.00 0.00 C ATOM 697 OG1 THR A 53 11.585 12.486 -2.212 1.00 0.00 O ATOM 698 CG2 THR A 53 11.296 10.125 -1.796 1.00 0.00 C ATOM 0 H THR A 53 8.821 12.760 -3.854 1.00 0.00 H new ATOM 0 HA THR A 53 11.134 11.013 -4.406 1.00 0.00 H new ATOM 0 HB THR A 53 9.767 11.615 -1.752 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.842 12.592 -1.272 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.581 10.273 -0.754 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.580 9.306 -1.864 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.182 9.883 -2.383 1.00 0.00 H new ATOM 706 N LEU A 54 9.822 8.851 -4.063 1.00 0.00 N ATOM 707 CA LEU A 54 9.003 7.648 -4.177 1.00 0.00 C ATOM 708 C LEU A 54 9.470 6.577 -3.196 1.00 0.00 C ATOM 709 O LEU A 54 10.611 6.120 -3.258 1.00 0.00 O ATOM 710 CB LEU A 54 9.056 7.105 -5.606 1.00 0.00 C ATOM 711 CG LEU A 54 8.558 8.049 -6.701 1.00 0.00 C ATOM 712 CD1 LEU A 54 9.117 7.637 -8.054 1.00 0.00 C ATOM 713 CD2 LEU A 54 7.037 8.072 -6.735 1.00 0.00 C ATOM 0 H LEU A 54 10.827 8.683 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 54 7.974 7.914 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.087 6.831 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.466 6.189 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 54 8.911 9.055 -6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.752 8.320 -8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.206 7.673 -8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.794 6.623 -8.288 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.701 8.749 -7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.662 7.068 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.657 8.415 -5.773 1.00 0.00 H new ATOM 725 N SER A 55 8.579 6.181 -2.293 1.00 0.00 N ATOM 726 CA SER A 55 8.900 5.164 -1.298 1.00 0.00 C ATOM 727 C SER A 55 7.694 4.268 -1.028 1.00 0.00 C ATOM 728 O SER A 55 6.642 4.738 -0.594 1.00 0.00 O ATOM 729 CB SER A 55 9.361 5.823 0.004 1.00 0.00 C ATOM 730 OG SER A 55 9.844 4.856 0.921 1.00 0.00 O ATOM 0 H SER A 55 7.630 6.549 -2.230 1.00 0.00 H new ATOM 0 HA SER A 55 9.708 4.547 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.145 6.550 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.532 6.371 0.451 1.00 0.00 H new ATOM 0 HG SER A 55 10.824 4.840 0.894 1.00 0.00 H new ATOM 736 N VAL A 56 7.856 2.975 -1.289 1.00 0.00 N ATOM 737 CA VAL A 56 6.783 2.012 -1.074 1.00 0.00 C ATOM 738 C VAL A 56 7.296 0.769 -0.355 1.00 0.00 C ATOM 739 O VAL A 56 8.424 0.330 -0.579 1.00 0.00 O ATOM 740 CB VAL A 56 6.133 1.590 -2.405 1.00 0.00 C ATOM 741 CG1 VAL A 56 5.462 2.780 -3.073 1.00 0.00 C ATOM 742 CG2 VAL A 56 7.168 0.964 -3.328 1.00 0.00 C ATOM 0 H VAL A 56 8.720 2.570 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 56 6.035 2.505 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 56 5.368 0.843 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.008 2.462 -4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.691 3.180 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.205 3.552 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.692 0.672 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.957 1.687 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.598 0.084 -2.849 1.00 0.00 H new ATOM 752 N THR A 57 6.459 0.205 0.510 1.00 0.00 N ATOM 753 CA THR A 57 6.827 -0.987 1.263 1.00 0.00 C ATOM 754 C THR A 57 5.649 -1.947 1.384 1.00 0.00 C ATOM 755 O THR A 57 4.575 -1.570 1.855 1.00 0.00 O ATOM 756 CB THR A 57 7.329 -0.627 2.675 1.00 0.00 C ATOM 757 OG1 THR A 57 8.406 0.311 2.587 1.00 0.00 O ATOM 758 CG2 THR A 57 7.792 -1.871 3.418 1.00 0.00 C ATOM 0 H THR A 57 5.521 0.555 0.706 1.00 0.00 H new ATOM 0 HA THR A 57 7.632 -1.473 0.712 1.00 0.00 H new ATOM 0 HB THR A 57 6.503 -0.180 3.228 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.718 0.536 3.488 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.142 -1.592 4.412 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.961 -2.571 3.509 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.605 -2.343 2.866 1.00 0.00 H new ATOM 766 N ILE A 58 5.857 -3.188 0.957 1.00 0.00 N ATOM 767 CA ILE A 58 4.811 -4.201 1.020 1.00 0.00 C ATOM 768 C ILE A 58 5.152 -5.280 2.042 1.00 0.00 C ATOM 769 O ILE A 58 6.215 -5.897 1.977 1.00 0.00 O ATOM 770 CB ILE A 58 4.586 -4.863 -0.353 1.00 0.00 C ATOM 771 CG1 ILE A 58 4.293 -3.801 -1.414 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.448 -5.870 -0.275 1.00 0.00 C ATOM 773 CD1 ILE A 58 4.534 -4.278 -2.829 1.00 0.00 C ATOM 0 H ILE A 58 6.739 -3.516 0.564 1.00 0.00 H new ATOM 0 HA ILE A 58 3.896 -3.692 1.324 1.00 0.00 H new ATOM 0 HB ILE A 58 5.495 -5.393 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.255 -3.481 -1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.915 -2.927 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.301 -6.329 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.694 -6.641 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.533 -5.362 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.306 -3.473 -3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.578 -4.571 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.892 -5.134 -3.039 1.00 0.00 H new ATOM 785 N GLU A 59 4.241 -5.503 2.985 1.00 0.00 N ATOM 786 CA GLU A 59 4.446 -6.509 4.021 1.00 0.00 C ATOM 787 C GLU A 59 3.466 -7.667 3.855 1.00 0.00 C ATOM 788 O GLU A 59 2.453 -7.544 3.169 1.00 0.00 O ATOM 789 CB GLU A 59 4.285 -5.884 5.408 1.00 0.00 C ATOM 790 CG GLU A 59 5.044 -6.620 6.499 1.00 0.00 C ATOM 791 CD GLU A 59 4.253 -7.775 7.082 1.00 0.00 C ATOM 792 OE1 GLU A 59 3.107 -7.548 7.523 1.00 0.00 O ATOM 793 OE2 GLU A 59 4.782 -8.907 7.099 1.00 0.00 O ATOM 0 H GLU A 59 3.355 -5.001 3.053 1.00 0.00 H new ATOM 0 HA GLU A 59 5.460 -6.897 3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.627 -4.850 5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.226 -5.861 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.983 -6.996 6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.298 -5.920 7.295 1.00 0.00 H new ATOM 800 N GLY A 60 3.778 -8.793 4.490 1.00 0.00 N ATOM 801 CA GLY A 60 2.916 -9.958 4.401 1.00 0.00 C ATOM 802 C GLY A 60 3.668 -11.254 4.629 1.00 0.00 C ATOM 803 O GLY A 60 4.891 -11.270 4.776 1.00 0.00 O ATOM 0 H GLY A 60 4.612 -8.919 5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.116 -9.871 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.444 -9.983 3.419 1.00 0.00 H new ATOM 807 N PRO A 61 2.930 -12.373 4.662 1.00 0.00 N ATOM 808 CA PRO A 61 3.513 -13.701 4.875 1.00 0.00 C ATOM 809 C PRO A 61 4.343 -14.167 3.683 1.00 0.00 C ATOM 810 O PRO A 61 5.398 -14.779 3.850 1.00 0.00 O ATOM 811 CB PRO A 61 2.289 -14.601 5.059 1.00 0.00 C ATOM 812 CG PRO A 61 1.190 -13.898 4.340 1.00 0.00 C ATOM 813 CD PRO A 61 1.468 -12.429 4.495 1.00 0.00 C ATOM 0 HA PRO A 61 4.199 -13.714 5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.462 -15.594 4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.050 -14.734 6.114 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.167 -14.182 3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.219 -14.158 4.761 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.142 -11.864 3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.949 -12.011 5.357 1.00 0.00 H new ATOM 821 N SER A 62 3.859 -13.874 2.480 1.00 0.00 N ATOM 822 CA SER A 62 4.555 -14.266 1.260 1.00 0.00 C ATOM 823 C SER A 62 5.068 -13.041 0.510 1.00 0.00 C ATOM 824 O SER A 62 4.287 -12.221 0.026 1.00 0.00 O ATOM 825 CB SER A 62 3.625 -15.079 0.357 1.00 0.00 C ATOM 826 OG SER A 62 3.575 -16.435 0.765 1.00 0.00 O ATOM 0 H SER A 62 2.988 -13.367 2.324 1.00 0.00 H new ATOM 0 HA SER A 62 5.409 -14.883 1.540 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.623 -14.651 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.971 -15.019 -0.675 1.00 0.00 H new ATOM 0 HG SER A 62 3.085 -16.504 1.611 1.00 0.00 H new ATOM 832 N LYS A 63 6.389 -12.922 0.417 1.00 0.00 N ATOM 833 CA LYS A 63 7.010 -11.799 -0.275 1.00 0.00 C ATOM 834 C LYS A 63 6.706 -11.845 -1.769 1.00 0.00 C ATOM 835 O LYS A 63 6.625 -12.920 -2.364 1.00 0.00 O ATOM 836 CB LYS A 63 8.524 -11.810 -0.051 1.00 0.00 C ATOM 837 CG LYS A 63 9.211 -10.525 -0.480 1.00 0.00 C ATOM 838 CD LYS A 63 9.234 -9.503 0.643 1.00 0.00 C ATOM 839 CE LYS A 63 10.239 -9.882 1.721 1.00 0.00 C ATOM 840 NZ LYS A 63 11.605 -9.378 1.407 1.00 0.00 N ATOM 0 H LYS A 63 7.050 -13.590 0.813 1.00 0.00 H new ATOM 0 HA LYS A 63 6.595 -10.878 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.725 -11.985 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.958 -12.645 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.231 -10.744 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.695 -10.106 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.485 -8.522 0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.240 -9.422 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.914 -9.477 2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.267 -10.967 1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.261 -9.657 2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.926 -9.784 0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.584 -8.341 1.332 1.00 0.00 H new ATOM 854 N VAL A 64 6.539 -10.671 -2.371 1.00 0.00 N ATOM 855 CA VAL A 64 6.247 -10.578 -3.796 1.00 0.00 C ATOM 856 C VAL A 64 7.277 -9.712 -4.513 1.00 0.00 C ATOM 857 O VAL A 64 7.504 -8.561 -4.139 1.00 0.00 O ATOM 858 CB VAL A 64 4.842 -9.996 -4.044 1.00 0.00 C ATOM 859 CG1 VAL A 64 3.772 -10.951 -3.536 1.00 0.00 C ATOM 860 CG2 VAL A 64 4.707 -8.632 -3.385 1.00 0.00 C ATOM 0 H VAL A 64 6.601 -9.772 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 64 6.288 -11.592 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 64 4.703 -9.870 -5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.786 -10.524 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.857 -11.904 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.905 -11.110 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.709 -8.236 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.865 -8.730 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.450 -7.952 -3.801 1.00 0.00 H new ATOM 870 N LYS A 65 7.897 -10.272 -5.545 1.00 0.00 N ATOM 871 CA LYS A 65 8.903 -9.552 -6.317 1.00 0.00 C ATOM 872 C LYS A 65 8.246 -8.583 -7.296 1.00 0.00 C ATOM 873 O LYS A 65 8.597 -8.545 -8.475 1.00 0.00 O ATOM 874 CB LYS A 65 9.793 -10.537 -7.078 1.00 0.00 C ATOM 875 CG LYS A 65 11.087 -9.922 -7.584 1.00 0.00 C ATOM 876 CD LYS A 65 12.100 -9.756 -6.464 1.00 0.00 C ATOM 877 CE LYS A 65 12.889 -11.036 -6.231 1.00 0.00 C ATOM 878 NZ LYS A 65 13.359 -11.150 -4.823 1.00 0.00 N ATOM 0 H LYS A 65 7.721 -11.224 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 65 9.517 -8.979 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.031 -11.378 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.236 -10.938 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.509 -10.552 -8.367 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.878 -8.951 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.785 -8.945 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.586 -9.472 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.266 -11.896 -6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.747 -11.061 -6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.892 -12.035 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.974 -10.343 -4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.540 -11.152 -4.183 1.00 0.00 H new ATOM 892 N MET A 66 7.294 -7.801 -6.798 1.00 0.00 N ATOM 893 CA MET A 66 6.591 -6.830 -7.629 1.00 0.00 C ATOM 894 C MET A 66 7.578 -5.922 -8.356 1.00 0.00 C ATOM 895 O MET A 66 8.792 -6.096 -8.248 1.00 0.00 O ATOM 896 CB MET A 66 5.641 -5.989 -6.774 1.00 0.00 C ATOM 897 CG MET A 66 6.322 -5.307 -5.600 1.00 0.00 C ATOM 898 SD MET A 66 6.982 -3.684 -6.026 1.00 0.00 S ATOM 899 CE MET A 66 8.679 -4.101 -6.420 1.00 0.00 C ATOM 0 H MET A 66 6.992 -7.820 -5.824 1.00 0.00 H new ATOM 0 HA MET A 66 6.011 -7.377 -8.373 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.174 -5.231 -7.403 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.842 -6.628 -6.399 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.609 -5.202 -4.783 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.132 -5.940 -5.237 1.00 0.00 H new ATOM 0 HE1 MET A 66 9.351 -3.562 -5.752 1.00 0.00 H new ATOM 0 HE2 MET A 66 8.828 -5.174 -6.297 1.00 0.00 H new ATOM 0 HE3 MET A 66 8.892 -3.821 -7.452 1.00 0.00 H new ATOM 909 N ASP A 67 7.049 -4.955 -9.097 1.00 0.00 N ATOM 910 CA ASP A 67 7.883 -4.019 -9.842 1.00 0.00 C ATOM 911 C ASP A 67 7.434 -2.581 -9.603 1.00 0.00 C ATOM 912 O ASP A 67 6.373 -2.340 -9.025 1.00 0.00 O ATOM 913 CB ASP A 67 7.836 -4.339 -11.337 1.00 0.00 C ATOM 914 CG ASP A 67 8.206 -5.780 -11.633 1.00 0.00 C ATOM 915 OD1 ASP A 67 7.402 -6.677 -11.306 1.00 0.00 O ATOM 916 OD2 ASP A 67 9.300 -6.009 -12.190 1.00 0.00 O ATOM 0 H ASP A 67 6.046 -4.799 -9.198 1.00 0.00 H new ATOM 0 HA ASP A 67 8.908 -4.124 -9.488 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.834 -4.139 -11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.517 -3.675 -11.869 1.00 0.00 H new ATOM 921 N CYS A 68 8.247 -1.631 -10.050 1.00 0.00 N ATOM 922 CA CYS A 68 7.934 -0.216 -9.883 1.00 0.00 C ATOM 923 C CYS A 68 7.896 0.495 -11.231 1.00 0.00 C ATOM 924 O CYS A 68 8.477 1.568 -11.394 1.00 0.00 O ATOM 925 CB CYS A 68 8.964 0.451 -8.970 1.00 0.00 C ATOM 926 SG CYS A 68 8.571 0.338 -7.208 1.00 0.00 S ATOM 0 H CYS A 68 9.128 -1.814 -10.531 1.00 0.00 H new ATOM 0 HA CYS A 68 6.948 -0.139 -9.424 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.938 -0.006 -9.144 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.051 1.502 -9.245 1.00 0.00 H new ATOM 0 HG CYS A 68 9.501 0.929 -6.517 1.00 0.00 H new ATOM 932 N GLN A 69 7.209 -0.110 -12.195 1.00 0.00 N ATOM 933 CA GLN A 69 7.098 0.465 -13.530 1.00 0.00 C ATOM 934 C GLN A 69 6.601 1.905 -13.463 1.00 0.00 C ATOM 935 O GLN A 69 5.884 2.281 -12.536 1.00 0.00 O ATOM 936 CB GLN A 69 6.152 -0.373 -14.392 1.00 0.00 C ATOM 937 CG GLN A 69 6.848 -1.496 -15.143 1.00 0.00 C ATOM 938 CD GLN A 69 6.027 -2.017 -16.306 1.00 0.00 C ATOM 939 OE1 GLN A 69 4.847 -2.334 -16.155 1.00 0.00 O ATOM 940 NE2 GLN A 69 6.648 -2.108 -17.476 1.00 0.00 N ATOM 0 H GLN A 69 6.721 -0.998 -12.076 1.00 0.00 H new ATOM 0 HA GLN A 69 8.090 0.463 -13.983 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.376 -0.799 -13.756 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.654 0.279 -15.110 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.809 -1.139 -15.513 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.055 -2.315 -14.454 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.627 -1.834 -17.556 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.146 -2.452 -18.295 1.00 0.00 H new ATOM 949 N GLU A 70 6.989 2.706 -14.450 1.00 0.00 N ATOM 950 CA GLU A 70 6.583 4.106 -14.501 1.00 0.00 C ATOM 951 C GLU A 70 5.304 4.273 -15.316 1.00 0.00 C ATOM 952 O GLU A 70 5.018 3.481 -16.215 1.00 0.00 O ATOM 953 CB GLU A 70 7.699 4.962 -15.104 1.00 0.00 C ATOM 954 CG GLU A 70 8.704 5.461 -14.079 1.00 0.00 C ATOM 955 CD GLU A 70 9.617 4.361 -13.574 1.00 0.00 C ATOM 956 OE1 GLU A 70 10.113 3.572 -14.405 1.00 0.00 O ATOM 957 OE2 GLU A 70 9.836 4.289 -12.346 1.00 0.00 O ATOM 0 H GLU A 70 7.583 2.410 -15.224 1.00 0.00 H new ATOM 0 HA GLU A 70 6.390 4.438 -13.481 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.224 4.379 -15.861 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.255 5.818 -15.612 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.307 6.253 -14.523 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.170 5.900 -13.236 1.00 0.00 H new ATOM 964 N THR A 71 4.535 5.309 -14.995 1.00 0.00 N ATOM 965 CA THR A 71 3.285 5.579 -15.694 1.00 0.00 C ATOM 966 C THR A 71 3.104 7.073 -15.937 1.00 0.00 C ATOM 967 O THR A 71 3.603 7.914 -15.189 1.00 0.00 O ATOM 968 CB THR A 71 2.073 5.048 -14.906 1.00 0.00 C ATOM 969 OG1 THR A 71 2.095 5.561 -13.569 1.00 0.00 O ATOM 970 CG2 THR A 71 2.076 3.527 -14.871 1.00 0.00 C ATOM 0 H THR A 71 4.756 5.975 -14.255 1.00 0.00 H new ATOM 0 HA THR A 71 3.340 5.061 -16.651 1.00 0.00 H new ATOM 0 HB THR A 71 1.165 5.383 -15.408 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.320 5.220 -13.075 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.211 3.174 -14.309 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.030 3.140 -15.889 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.989 3.176 -14.390 1.00 0.00 H new ATOM 978 N PRO A 72 2.371 7.415 -17.008 1.00 0.00 N ATOM 979 CA PRO A 72 2.106 8.809 -17.373 1.00 0.00 C ATOM 980 C PRO A 72 1.166 9.498 -16.389 1.00 0.00 C ATOM 981 O PRO A 72 0.901 10.694 -16.504 1.00 0.00 O ATOM 982 CB PRO A 72 1.447 8.696 -18.751 1.00 0.00 C ATOM 983 CG PRO A 72 0.839 7.336 -18.769 1.00 0.00 C ATOM 984 CD PRO A 72 1.745 6.465 -17.944 1.00 0.00 C ATOM 0 HA PRO A 72 3.015 9.411 -17.367 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.692 9.469 -18.894 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.178 8.813 -19.551 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.169 7.354 -18.354 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.757 6.959 -19.788 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.188 5.690 -17.418 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.488 5.960 -18.561 1.00 0.00 H new ATOM 992 N GLU A 73 0.666 8.734 -15.422 1.00 0.00 N ATOM 993 CA GLU A 73 -0.244 9.272 -14.418 1.00 0.00 C ATOM 994 C GLU A 73 0.526 9.780 -13.202 1.00 0.00 C ATOM 995 O GLU A 73 0.210 10.833 -12.650 1.00 0.00 O ATOM 996 CB GLU A 73 -1.253 8.205 -13.988 1.00 0.00 C ATOM 997 CG GLU A 73 -2.137 8.635 -12.830 1.00 0.00 C ATOM 998 CD GLU A 73 -3.360 9.407 -13.285 1.00 0.00 C ATOM 999 OE1 GLU A 73 -4.040 8.943 -14.224 1.00 0.00 O ATOM 1000 OE2 GLU A 73 -3.638 10.476 -12.702 1.00 0.00 O ATOM 0 H GLU A 73 0.876 7.742 -15.313 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.780 10.110 -14.863 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.883 7.949 -14.840 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.714 7.300 -13.706 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.455 7.753 -12.274 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.557 9.252 -12.144 1.00 0.00 H new ATOM 1007 N GLY A 74 1.538 9.022 -12.791 1.00 0.00 N ATOM 1008 CA GLY A 74 2.336 9.411 -11.643 1.00 0.00 C ATOM 1009 C GLY A 74 3.194 8.275 -11.123 1.00 0.00 C ATOM 1010 O GLY A 74 4.420 8.384 -11.074 1.00 0.00 O ATOM 0 H GLY A 74 1.819 8.146 -13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.976 10.250 -11.916 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.677 9.759 -10.847 1.00 0.00 H new ATOM 1014 N TYR A 75 2.550 7.181 -10.730 1.00 0.00 N ATOM 1015 CA TYR A 75 3.262 6.021 -10.206 1.00 0.00 C ATOM 1016 C TYR A 75 2.318 4.835 -10.034 1.00 0.00 C ATOM 1017 O TYR A 75 1.252 4.957 -9.429 1.00 0.00 O ATOM 1018 CB TYR A 75 3.920 6.362 -8.868 1.00 0.00 C ATOM 1019 CG TYR A 75 5.187 5.582 -8.600 1.00 0.00 C ATOM 1020 CD1 TYR A 75 6.170 5.459 -9.575 1.00 0.00 C ATOM 1021 CD2 TYR A 75 5.402 4.969 -7.372 1.00 0.00 C ATOM 1022 CE1 TYR A 75 7.329 4.746 -9.335 1.00 0.00 C ATOM 1023 CE2 TYR A 75 6.558 4.255 -7.123 1.00 0.00 C ATOM 1024 CZ TYR A 75 7.518 4.146 -8.107 1.00 0.00 C ATOM 1025 OH TYR A 75 8.672 3.437 -7.863 1.00 0.00 O ATOM 0 H TYR A 75 1.536 7.073 -10.764 1.00 0.00 H new ATOM 0 HA TYR A 75 4.035 5.746 -10.924 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.148 7.428 -8.846 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.209 6.171 -8.064 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.025 5.929 -10.537 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.653 5.052 -6.599 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.082 4.659 -10.104 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.709 3.785 -6.163 1.00 0.00 H new ATOM 0 HH TYR A 75 8.443 2.540 -7.540 1.00 0.00 H new ATOM 1035 N LYS A 76 2.718 3.687 -10.569 1.00 0.00 N ATOM 1036 CA LYS A 76 1.912 2.476 -10.475 1.00 0.00 C ATOM 1037 C LYS A 76 2.737 1.313 -9.932 1.00 0.00 C ATOM 1038 O LYS A 76 3.915 1.170 -10.259 1.00 0.00 O ATOM 1039 CB LYS A 76 1.339 2.112 -11.846 1.00 0.00 C ATOM 1040 CG LYS A 76 0.608 0.780 -11.866 1.00 0.00 C ATOM 1041 CD LYS A 76 0.079 0.455 -13.253 1.00 0.00 C ATOM 1042 CE LYS A 76 1.192 -0.018 -14.176 1.00 0.00 C ATOM 1043 NZ LYS A 76 0.859 0.214 -15.609 1.00 0.00 N ATOM 0 H LYS A 76 3.597 3.570 -11.073 1.00 0.00 H new ATOM 0 HA LYS A 76 1.091 2.669 -9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.654 2.898 -12.164 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.150 2.083 -12.573 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.282 -0.011 -11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.220 0.807 -11.157 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.687 -0.317 -13.180 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.397 1.338 -13.678 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.116 0.505 -13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.373 -1.080 -14.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.642 -0.121 -16.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.009 -0.305 -15.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.711 1.231 -15.771 1.00 0.00 H new ATOM 1057 N VAL A 77 2.110 0.485 -9.102 1.00 0.00 N ATOM 1058 CA VAL A 77 2.786 -0.666 -8.517 1.00 0.00 C ATOM 1059 C VAL A 77 1.970 -1.939 -8.710 1.00 0.00 C ATOM 1060 O VAL A 77 0.877 -2.078 -8.160 1.00 0.00 O ATOM 1061 CB VAL A 77 3.046 -0.459 -7.013 1.00 0.00 C ATOM 1062 CG1 VAL A 77 3.624 -1.722 -6.392 1.00 0.00 C ATOM 1063 CG2 VAL A 77 3.973 0.726 -6.791 1.00 0.00 C ATOM 0 H VAL A 77 1.135 0.590 -8.820 1.00 0.00 H new ATOM 0 HA VAL A 77 3.741 -0.768 -9.033 1.00 0.00 H new ATOM 0 HB VAL A 77 2.096 -0.244 -6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.801 -1.557 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.920 -2.545 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.565 -1.971 -6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.146 0.858 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.923 0.543 -7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.515 1.627 -7.198 1.00 0.00 H new ATOM 1073 N MET A 78 2.508 -2.867 -9.494 1.00 0.00 N ATOM 1074 CA MET A 78 1.829 -4.131 -9.758 1.00 0.00 C ATOM 1075 C MET A 78 2.456 -5.264 -8.951 1.00 0.00 C ATOM 1076 O MET A 78 3.666 -5.481 -9.004 1.00 0.00 O ATOM 1077 CB MET A 78 1.885 -4.462 -11.251 1.00 0.00 C ATOM 1078 CG MET A 78 1.346 -3.353 -12.140 1.00 0.00 C ATOM 1079 SD MET A 78 1.581 -3.693 -13.895 1.00 0.00 S ATOM 1080 CE MET A 78 3.081 -2.769 -14.220 1.00 0.00 C ATOM 0 H MET A 78 3.411 -2.768 -9.957 1.00 0.00 H new ATOM 0 HA MET A 78 0.787 -4.026 -9.455 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.918 -4.671 -11.530 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.315 -5.373 -11.434 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.283 -3.216 -11.940 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.841 -2.416 -11.886 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.910 -2.075 -15.042 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.365 -2.211 -13.328 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.882 -3.458 -14.488 1.00 0.00 H new ATOM 1090 N TYR A 79 1.624 -5.981 -8.204 1.00 0.00 N ATOM 1091 CA TYR A 79 2.098 -7.090 -7.383 1.00 0.00 C ATOM 1092 C TYR A 79 1.084 -8.230 -7.371 1.00 0.00 C ATOM 1093 O TYR A 79 -0.108 -8.015 -7.151 1.00 0.00 O ATOM 1094 CB TYR A 79 2.366 -6.615 -5.954 1.00 0.00 C ATOM 1095 CG TYR A 79 1.114 -6.465 -5.121 1.00 0.00 C ATOM 1096 CD1 TYR A 79 0.530 -7.565 -4.505 1.00 0.00 C ATOM 1097 CD2 TYR A 79 0.514 -5.224 -4.950 1.00 0.00 C ATOM 1098 CE1 TYR A 79 -0.615 -7.433 -3.743 1.00 0.00 C ATOM 1099 CE2 TYR A 79 -0.630 -5.082 -4.189 1.00 0.00 C ATOM 1100 CZ TYR A 79 -1.191 -6.190 -3.587 1.00 0.00 C ATOM 1101 OH TYR A 79 -2.331 -6.053 -2.829 1.00 0.00 O ATOM 0 H TYR A 79 0.619 -5.815 -8.150 1.00 0.00 H new ATOM 0 HA TYR A 79 3.028 -7.459 -7.816 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.035 -7.322 -5.464 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.885 -5.657 -5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.979 -8.540 -4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.950 -4.355 -5.420 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.056 -8.299 -3.272 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.083 -4.109 -4.066 1.00 0.00 H new ATOM 0 HH TYR A 79 -2.842 -5.278 -3.143 1.00 0.00 H new ATOM 1111 N THR A 80 1.568 -9.445 -7.608 1.00 0.00 N ATOM 1112 CA THR A 80 0.706 -10.621 -7.625 1.00 0.00 C ATOM 1113 C THR A 80 1.062 -11.580 -6.495 1.00 0.00 C ATOM 1114 O THR A 80 2.074 -12.280 -6.537 1.00 0.00 O ATOM 1115 CB THR A 80 0.803 -11.369 -8.968 1.00 0.00 C ATOM 1116 OG1 THR A 80 1.008 -10.437 -10.035 1.00 0.00 O ATOM 1117 CG2 THR A 80 -0.459 -12.178 -9.229 1.00 0.00 C ATOM 0 H THR A 80 2.552 -9.641 -7.791 1.00 0.00 H new ATOM 0 HA THR A 80 -0.316 -10.266 -7.488 1.00 0.00 H new ATOM 0 HB THR A 80 1.650 -12.053 -8.917 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.070 -10.921 -10.885 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.367 -12.697 -10.183 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.595 -12.907 -8.430 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.319 -11.510 -9.261 1.00 0.00 H new ATOM 1125 N PRO A 81 0.211 -11.615 -5.458 1.00 0.00 N ATOM 1126 CA PRO A 81 0.415 -12.486 -4.297 1.00 0.00 C ATOM 1127 C PRO A 81 0.218 -13.960 -4.635 1.00 0.00 C ATOM 1128 O PRO A 81 -0.590 -14.305 -5.497 1.00 0.00 O ATOM 1129 CB PRO A 81 -0.656 -12.017 -3.309 1.00 0.00 C ATOM 1130 CG PRO A 81 -1.721 -11.419 -4.161 1.00 0.00 C ATOM 1131 CD PRO A 81 -1.015 -10.808 -5.340 1.00 0.00 C ATOM 0 HA PRO A 81 1.432 -12.417 -3.910 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.041 -12.848 -2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.254 -11.287 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.434 -12.177 -4.484 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.284 -10.666 -3.610 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.621 -10.863 -6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.789 -9.755 -5.172 1.00 0.00 H new ATOM 1139 N MET A 82 0.960 -14.824 -3.951 1.00 0.00 N ATOM 1140 CA MET A 82 0.865 -16.261 -4.180 1.00 0.00 C ATOM 1141 C MET A 82 0.135 -16.947 -3.029 1.00 0.00 C ATOM 1142 O MET A 82 -0.489 -17.991 -3.212 1.00 0.00 O ATOM 1143 CB MET A 82 2.260 -16.866 -4.347 1.00 0.00 C ATOM 1144 CG MET A 82 2.767 -16.836 -5.780 1.00 0.00 C ATOM 1145 SD MET A 82 3.419 -15.223 -6.252 1.00 0.00 S ATOM 1146 CE MET A 82 3.165 -15.261 -8.025 1.00 0.00 C ATOM 0 H MET A 82 1.633 -14.555 -3.234 1.00 0.00 H new ATOM 0 HA MET A 82 0.296 -16.421 -5.096 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.960 -16.325 -3.711 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.244 -17.898 -3.997 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.546 -17.588 -5.901 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.955 -17.107 -6.454 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.520 -14.328 -8.463 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.718 -16.097 -8.454 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.103 -15.381 -8.238 1.00 0.00 H new ATOM 1156 N ALA A 83 0.219 -16.353 -1.843 1.00 0.00 N ATOM 1157 CA ALA A 83 -0.434 -16.906 -0.663 1.00 0.00 C ATOM 1158 C ALA A 83 -1.276 -15.850 0.044 1.00 0.00 C ATOM 1159 O ALA A 83 -0.919 -14.673 0.102 1.00 0.00 O ATOM 1160 CB ALA A 83 0.600 -17.485 0.291 1.00 0.00 C ATOM 0 H ALA A 83 0.733 -15.488 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.099 -17.706 -0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.098 -17.894 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.156 -18.277 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.289 -16.699 0.602 1.00 0.00 H new ATOM 1166 N PRO A 84 -2.423 -16.277 0.594 1.00 0.00 N ATOM 1167 CA PRO A 84 -3.340 -15.383 1.307 1.00 0.00 C ATOM 1168 C PRO A 84 -2.766 -14.904 2.636 1.00 0.00 C ATOM 1169 O PRO A 84 -1.659 -15.281 3.018 1.00 0.00 O ATOM 1170 CB PRO A 84 -4.576 -16.256 1.541 1.00 0.00 C ATOM 1171 CG PRO A 84 -4.059 -17.653 1.534 1.00 0.00 C ATOM 1172 CD PRO A 84 -2.912 -17.666 0.563 1.00 0.00 C ATOM 0 HA PRO A 84 -3.545 -14.474 0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.056 -16.016 2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.321 -16.105 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.731 -17.952 2.529 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.836 -18.355 1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.138 -18.371 0.865 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -3.235 -17.956 -0.437 1.00 0.00 H new ATOM 1180 N GLY A 85 -3.528 -14.070 3.338 1.00 0.00 N ATOM 1181 CA GLY A 85 -3.078 -13.554 4.618 1.00 0.00 C ATOM 1182 C GLY A 85 -3.318 -12.064 4.759 1.00 0.00 C ATOM 1183 O GLY A 85 -4.291 -11.532 4.225 1.00 0.00 O ATOM 0 H GLY A 85 -4.448 -13.743 3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.595 -14.080 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.014 -13.760 4.736 1.00 0.00 H new ATOM 1187 N ASN A 86 -2.431 -11.389 5.481 1.00 0.00 N ATOM 1188 CA ASN A 86 -2.553 -9.951 5.693 1.00 0.00 C ATOM 1189 C ASN A 86 -1.371 -9.208 5.076 1.00 0.00 C ATOM 1190 O ASN A 86 -0.220 -9.435 5.446 1.00 0.00 O ATOM 1191 CB ASN A 86 -2.640 -9.640 7.188 1.00 0.00 C ATOM 1192 CG ASN A 86 -1.663 -10.461 8.008 1.00 0.00 C ATOM 1193 OD1 ASN A 86 -1.848 -11.664 8.192 1.00 0.00 O ATOM 1194 ND2 ASN A 86 -0.616 -9.813 8.504 1.00 0.00 N ATOM 0 H ASN A 86 -1.619 -11.814 5.930 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.467 -9.614 5.205 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.443 -8.580 7.348 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.654 -9.832 7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.075 -10.313 9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.503 -8.815 8.326 1.00 0.00 H new ATOM 1201 N TYR A 87 -1.666 -8.320 4.133 1.00 0.00 N ATOM 1202 CA TYR A 87 -0.629 -7.544 3.463 1.00 0.00 C ATOM 1203 C TYR A 87 -0.785 -6.056 3.757 1.00 0.00 C ATOM 1204 O TYR A 87 -1.899 -5.531 3.792 1.00 0.00 O ATOM 1205 CB TYR A 87 -0.678 -7.785 1.953 1.00 0.00 C ATOM 1206 CG TYR A 87 -0.181 -9.152 1.541 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -0.787 -10.307 2.022 1.00 0.00 C ATOM 1208 CD2 TYR A 87 0.894 -9.290 0.672 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -0.336 -11.558 1.649 1.00 0.00 C ATOM 1210 CE2 TYR A 87 1.351 -10.537 0.293 1.00 0.00 C ATOM 1211 CZ TYR A 87 0.733 -11.668 0.784 1.00 0.00 C ATOM 1212 OH TYR A 87 1.186 -12.912 0.409 1.00 0.00 O ATOM 0 H TYR A 87 -2.614 -8.120 3.815 1.00 0.00 H new ATOM 0 HA TYR A 87 0.338 -7.871 3.846 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.704 -7.661 1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.079 -7.024 1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.625 -10.225 2.699 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.381 -8.407 0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.818 -12.445 2.032 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.188 -10.626 -0.384 1.00 0.00 H new ATOM 0 HH TYR A 87 0.428 -13.528 0.337 1.00 0.00 H new ATOM 1222 N LEU A 88 0.339 -5.380 3.969 1.00 0.00 N ATOM 1223 CA LEU A 88 0.329 -3.950 4.260 1.00 0.00 C ATOM 1224 C LEU A 88 1.162 -3.181 3.239 1.00 0.00 C ATOM 1225 O LEU A 88 2.305 -3.543 2.958 1.00 0.00 O ATOM 1226 CB LEU A 88 0.864 -3.693 5.670 1.00 0.00 C ATOM 1227 CG LEU A 88 0.315 -2.456 6.380 1.00 0.00 C ATOM 1228 CD1 LEU A 88 0.840 -2.382 7.806 1.00 0.00 C ATOM 1229 CD2 LEU A 88 0.677 -1.194 5.610 1.00 0.00 C ATOM 0 H LEU A 88 1.269 -5.799 3.945 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.701 -3.599 4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.646 -4.567 6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.949 -3.604 5.615 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.771 -2.535 6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.439 -1.495 8.296 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.530 -3.271 8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.928 -2.327 7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.278 -0.323 6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.761 -1.109 5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.251 -1.245 4.608 1.00 0.00 H new ATOM 1241 N ILE A 89 0.583 -2.119 2.691 1.00 0.00 N ATOM 1242 CA ILE A 89 1.273 -1.297 1.705 1.00 0.00 C ATOM 1243 C ILE A 89 1.488 0.121 2.224 1.00 0.00 C ATOM 1244 O ILE A 89 0.537 0.885 2.385 1.00 0.00 O ATOM 1245 CB ILE A 89 0.491 -1.232 0.379 1.00 0.00 C ATOM 1246 CG1 ILE A 89 0.405 -2.622 -0.255 1.00 0.00 C ATOM 1247 CG2 ILE A 89 1.149 -0.248 -0.576 1.00 0.00 C ATOM 1248 CD1 ILE A 89 -0.839 -2.829 -1.090 1.00 0.00 C ATOM 0 H ILE A 89 -0.362 -1.807 2.913 1.00 0.00 H new ATOM 0 HA ILE A 89 2.240 -1.767 1.525 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.521 -0.884 0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.283 -2.782 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.433 -3.374 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.585 -0.213 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.164 0.744 -0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.170 -0.568 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.833 -3.836 -1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.722 -2.701 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.859 -2.100 -1.900 1.00 0.00 H new ATOM 1260 N SER A 90 2.746 0.466 2.483 1.00 0.00 N ATOM 1261 CA SER A 90 3.086 1.791 2.986 1.00 0.00 C ATOM 1262 C SER A 90 3.652 2.666 1.872 1.00 0.00 C ATOM 1263 O SER A 90 4.321 2.178 0.961 1.00 0.00 O ATOM 1264 CB SER A 90 4.099 1.681 4.128 1.00 0.00 C ATOM 1265 OG SER A 90 3.503 1.127 5.287 1.00 0.00 O ATOM 0 H SER A 90 3.545 -0.154 2.353 1.00 0.00 H new ATOM 0 HA SER A 90 2.174 2.256 3.361 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.938 1.060 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.501 2.668 4.358 1.00 0.00 H new ATOM 0 HG SER A 90 4.171 1.066 6.001 1.00 0.00 H new ATOM 1271 N VAL A 91 3.377 3.965 1.951 1.00 0.00 N ATOM 1272 CA VAL A 91 3.859 4.910 0.951 1.00 0.00 C ATOM 1273 C VAL A 91 4.205 6.252 1.585 1.00 0.00 C ATOM 1274 O VAL A 91 3.338 6.941 2.122 1.00 0.00 O ATOM 1275 CB VAL A 91 2.814 5.134 -0.159 1.00 0.00 C ATOM 1276 CG1 VAL A 91 3.335 6.120 -1.192 1.00 0.00 C ATOM 1277 CG2 VAL A 91 2.440 3.812 -0.812 1.00 0.00 C ATOM 0 H VAL A 91 2.823 4.386 2.697 1.00 0.00 H new ATOM 0 HA VAL A 91 4.758 4.476 0.512 1.00 0.00 H new ATOM 0 HB VAL A 91 1.916 5.558 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.583 6.265 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.548 7.074 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.248 5.729 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.701 3.988 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.329 3.358 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.021 3.141 -0.062 1.00 0.00 H new ATOM 1287 N LYS A 92 5.481 6.620 1.519 1.00 0.00 N ATOM 1288 CA LYS A 92 5.944 7.881 2.085 1.00 0.00 C ATOM 1289 C LYS A 92 6.315 8.868 0.983 1.00 0.00 C ATOM 1290 O LYS A 92 6.760 8.472 -0.095 1.00 0.00 O ATOM 1291 CB LYS A 92 7.150 7.642 2.997 1.00 0.00 C ATOM 1292 CG LYS A 92 7.939 8.903 3.306 1.00 0.00 C ATOM 1293 CD LYS A 92 9.186 8.596 4.117 1.00 0.00 C ATOM 1294 CE LYS A 92 10.312 8.078 3.234 1.00 0.00 C ATOM 1295 NZ LYS A 92 10.227 6.605 3.035 1.00 0.00 N ATOM 0 H LYS A 92 6.213 6.062 1.079 1.00 0.00 H new ATOM 0 HA LYS A 92 5.131 8.307 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.806 7.201 3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.812 6.915 2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.221 9.394 2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.309 9.602 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.514 9.496 4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.951 7.855 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.274 8.578 2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.272 8.329 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.026 6.143 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.333 6.252 3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.262 6.389 2.018 1.00 0.00 H new ATOM 1309 N TYR A 93 6.130 10.154 1.260 1.00 0.00 N ATOM 1310 CA TYR A 93 6.443 11.198 0.292 1.00 0.00 C ATOM 1311 C TYR A 93 6.854 12.488 0.995 1.00 0.00 C ATOM 1312 O TYR A 93 6.250 12.885 1.990 1.00 0.00 O ATOM 1313 CB TYR A 93 5.240 11.459 -0.616 1.00 0.00 C ATOM 1314 CG TYR A 93 5.369 12.717 -1.445 1.00 0.00 C ATOM 1315 CD1 TYR A 93 6.510 12.961 -2.200 1.00 0.00 C ATOM 1316 CD2 TYR A 93 4.351 13.662 -1.472 1.00 0.00 C ATOM 1317 CE1 TYR A 93 6.632 14.109 -2.958 1.00 0.00 C ATOM 1318 CE2 TYR A 93 4.464 14.812 -2.229 1.00 0.00 C ATOM 1319 CZ TYR A 93 5.607 15.031 -2.970 1.00 0.00 C ATOM 1320 OH TYR A 93 5.724 16.176 -3.724 1.00 0.00 O ATOM 0 H TYR A 93 5.765 10.498 2.148 1.00 0.00 H new ATOM 0 HA TYR A 93 7.280 10.855 -0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.107 10.607 -1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.341 11.528 -0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.315 12.241 -2.194 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.456 13.495 -0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.526 14.284 -3.538 1.00 0.00 H new ATOM 0 HE2 TYR A 93 3.662 15.535 -2.241 1.00 0.00 H new ATOM 0 HH TYR A 93 5.655 15.950 -4.675 1.00 0.00 H new ATOM 1330 N GLY A 94 7.888 13.138 0.469 1.00 0.00 N ATOM 1331 CA GLY A 94 8.362 14.377 1.057 1.00 0.00 C ATOM 1332 C GLY A 94 8.563 14.267 2.556 1.00 0.00 C ATOM 1333 O GLY A 94 7.716 14.702 3.336 1.00 0.00 O ATOM 0 H GLY A 94 8.406 12.828 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.303 14.662 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 94 7.647 15.172 0.847 1.00 0.00 H new ATOM 1337 N GLY A 95 9.686 13.683 2.960 1.00 0.00 N ATOM 1338 CA GLY A 95 9.974 13.526 4.374 1.00 0.00 C ATOM 1339 C GLY A 95 9.258 12.336 4.983 1.00 0.00 C ATOM 1340 O GLY A 95 8.674 11.510 4.281 1.00 0.00 O ATOM 0 H GLY A 95 10.402 13.315 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.049 13.409 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.681 14.432 4.904 1.00 0.00 H new ATOM 1344 N PRO A 96 9.300 12.237 6.320 1.00 0.00 N ATOM 1345 CA PRO A 96 8.657 11.142 7.052 1.00 0.00 C ATOM 1346 C PRO A 96 7.135 11.231 7.009 1.00 0.00 C ATOM 1347 O PRO A 96 6.438 10.341 7.494 1.00 0.00 O ATOM 1348 CB PRO A 96 9.162 11.329 8.485 1.00 0.00 C ATOM 1349 CG PRO A 96 9.495 12.778 8.584 1.00 0.00 C ATOM 1350 CD PRO A 96 9.978 13.185 7.219 1.00 0.00 C ATOM 0 HA PRO A 96 8.898 10.169 6.624 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.401 11.047 9.213 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.036 10.708 8.681 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.622 13.360 8.879 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.263 12.952 9.338 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.712 14.217 6.990 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.062 13.110 7.138 1.00 0.00 H new ATOM 1358 N ASN A 97 6.626 12.310 6.423 1.00 0.00 N ATOM 1359 CA ASN A 97 5.186 12.515 6.316 1.00 0.00 C ATOM 1360 C ASN A 97 4.597 11.661 5.197 1.00 0.00 C ATOM 1361 O ASN A 97 4.796 11.944 4.015 1.00 0.00 O ATOM 1362 CB ASN A 97 4.878 13.992 6.062 1.00 0.00 C ATOM 1363 CG ASN A 97 5.589 14.907 7.040 1.00 0.00 C ATOM 1364 OD1 ASN A 97 5.349 14.852 8.246 1.00 0.00 O ATOM 1365 ND2 ASN A 97 6.470 15.756 6.522 1.00 0.00 N ATOM 0 H ASN A 97 7.189 13.056 6.015 1.00 0.00 H new ATOM 0 HA ASN A 97 4.730 12.212 7.258 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.173 14.252 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.802 14.154 6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.979 16.397 7.130 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.637 15.767 5.516 1.00 0.00 H new ATOM 1372 N HIS A 98 3.871 10.615 5.578 1.00 0.00 N ATOM 1373 CA HIS A 98 3.251 9.720 4.607 1.00 0.00 C ATOM 1374 C HIS A 98 2.040 10.381 3.955 1.00 0.00 C ATOM 1375 O HIS A 98 1.598 11.448 4.382 1.00 0.00 O ATOM 1376 CB HIS A 98 2.832 8.413 5.281 1.00 0.00 C ATOM 1377 CG HIS A 98 2.116 8.613 6.581 1.00 0.00 C ATOM 1378 ND1 HIS A 98 0.808 9.042 6.662 1.00 0.00 N ATOM 1379 CD2 HIS A 98 2.532 8.437 7.857 1.00 0.00 C ATOM 1380 CE1 HIS A 98 0.451 9.124 7.931 1.00 0.00 C ATOM 1381 NE2 HIS A 98 1.480 8.762 8.677 1.00 0.00 N ATOM 0 H HIS A 98 3.697 10.366 6.552 1.00 0.00 H new ATOM 0 HA HIS A 98 3.985 9.501 3.831 1.00 0.00 H new ATOM 0 HB2 HIS A 98 2.187 7.854 4.603 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.718 7.802 5.454 1.00 0.00 H new ATOM 0 HD1 HIS A 98 0.209 9.262 5.866 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.510 8.103 8.172 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -0.517 9.434 8.297 1.00 0.00 H new ATOM 1389 N ILE A 99 1.510 9.741 2.919 1.00 0.00 N ATOM 1390 CA ILE A 99 0.350 10.266 2.208 1.00 0.00 C ATOM 1391 C ILE A 99 -0.939 9.975 2.969 1.00 0.00 C ATOM 1392 O ILE A 99 -0.916 9.379 4.046 1.00 0.00 O ATOM 1393 CB ILE A 99 0.242 9.674 0.791 1.00 0.00 C ATOM 1394 CG1 ILE A 99 -0.029 8.170 0.862 1.00 0.00 C ATOM 1395 CG2 ILE A 99 1.514 9.952 0.002 1.00 0.00 C ATOM 1396 CD1 ILE A 99 -0.618 7.601 -0.409 1.00 0.00 C ATOM 0 H ILE A 99 1.865 8.858 2.553 1.00 0.00 H new ATOM 0 HA ILE A 99 0.488 11.344 2.132 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.593 10.151 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.903 7.651 1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -0.710 7.971 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.422 9.527 -0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 99 1.667 11.029 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.365 9.500 0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.784 6.531 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.567 8.093 -0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.071 7.769 -1.236 1.00 0.00 H new ATOM 1408 N VAL A 100 -2.063 10.397 2.400 1.00 0.00 N ATOM 1409 CA VAL A 100 -3.364 10.178 3.022 1.00 0.00 C ATOM 1410 C VAL A 100 -3.868 8.764 2.760 1.00 0.00 C ATOM 1411 O VAL A 100 -3.677 8.216 1.674 1.00 0.00 O ATOM 1412 CB VAL A 100 -4.408 11.187 2.508 1.00 0.00 C ATOM 1413 CG1 VAL A 100 -5.815 10.720 2.849 1.00 0.00 C ATOM 1414 CG2 VAL A 100 -4.142 12.569 3.085 1.00 0.00 C ATOM 0 H VAL A 100 -2.100 10.893 1.509 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.230 10.319 4.094 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.324 11.249 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.539 11.445 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.000 9.752 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.916 10.627 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.889 13.269 2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.197 12.526 4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.149 12.904 2.785 1.00 0.00 H new ATOM 1424 N GLY A 101 -4.514 8.176 3.762 1.00 0.00 N ATOM 1425 CA GLY A 101 -5.037 6.830 3.620 1.00 0.00 C ATOM 1426 C GLY A 101 -4.080 5.778 4.146 1.00 0.00 C ATOM 1427 O GLY A 101 -4.503 4.780 4.729 1.00 0.00 O ATOM 0 H GLY A 101 -4.685 8.608 4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.985 6.754 4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.246 6.634 2.568 1.00 0.00 H new ATOM 1431 N SER A 102 -2.786 6.000 3.938 1.00 0.00 N ATOM 1432 CA SER A 102 -1.767 5.061 4.391 1.00 0.00 C ATOM 1433 C SER A 102 -1.617 5.112 5.909 1.00 0.00 C ATOM 1434 O SER A 102 -1.894 6.124 6.552 1.00 0.00 O ATOM 1435 CB SER A 102 -0.425 5.371 3.724 1.00 0.00 C ATOM 1436 OG SER A 102 -0.474 5.104 2.333 1.00 0.00 O ATOM 0 H SER A 102 -2.419 6.822 3.459 1.00 0.00 H new ATOM 0 HA SER A 102 -2.082 4.057 4.108 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.167 6.417 3.888 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.361 4.773 4.185 1.00 0.00 H new ATOM 0 HG SER A 102 -0.997 4.290 2.174 1.00 0.00 H new ATOM 1442 N PRO A 103 -1.168 3.992 6.496 1.00 0.00 N ATOM 1443 CA PRO A 103 -0.835 2.781 5.740 1.00 0.00 C ATOM 1444 C PRO A 103 -2.072 2.099 5.164 1.00 0.00 C ATOM 1445 O PRO A 103 -3.200 2.412 5.547 1.00 0.00 O ATOM 1446 CB PRO A 103 -0.168 1.883 6.785 1.00 0.00 C ATOM 1447 CG PRO A 103 -0.721 2.345 8.090 1.00 0.00 C ATOM 1448 CD PRO A 103 -0.950 3.824 7.942 1.00 0.00 C ATOM 0 HA PRO A 103 -0.203 2.999 4.879 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.397 0.832 6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.917 1.982 6.757 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.651 1.828 8.325 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -0.026 2.137 8.904 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.812 4.157 8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.092 4.400 8.289 1.00 0.00 H new ATOM 1456 N PHE A 104 -1.853 1.167 4.244 1.00 0.00 N ATOM 1457 CA PHE A 104 -2.950 0.441 3.615 1.00 0.00 C ATOM 1458 C PHE A 104 -2.978 -1.012 4.079 1.00 0.00 C ATOM 1459 O PHE A 104 -2.085 -1.797 3.756 1.00 0.00 O ATOM 1460 CB PHE A 104 -2.821 0.499 2.091 1.00 0.00 C ATOM 1461 CG PHE A 104 -2.944 1.888 1.532 1.00 0.00 C ATOM 1462 CD1 PHE A 104 -4.157 2.555 1.560 1.00 0.00 C ATOM 1463 CD2 PHE A 104 -1.845 2.526 0.978 1.00 0.00 C ATOM 1464 CE1 PHE A 104 -4.273 3.833 1.045 1.00 0.00 C ATOM 1465 CE2 PHE A 104 -1.955 3.803 0.462 1.00 0.00 C ATOM 1466 CZ PHE A 104 -3.170 4.458 0.497 1.00 0.00 C ATOM 0 H PHE A 104 -0.926 0.896 3.917 1.00 0.00 H new ATOM 0 HA PHE A 104 -3.885 0.917 3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -1.857 0.083 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.589 -0.133 1.645 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.022 2.072 1.989 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.892 2.019 0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.225 4.342 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.091 4.288 0.032 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.258 5.457 0.097 1.00 0.00 H new ATOM 1476 N LYS A 105 -4.008 -1.365 4.839 1.00 0.00 N ATOM 1477 CA LYS A 105 -4.155 -2.723 5.349 1.00 0.00 C ATOM 1478 C LYS A 105 -5.150 -3.515 4.507 1.00 0.00 C ATOM 1479 O LYS A 105 -6.362 -3.390 4.679 1.00 0.00 O ATOM 1480 CB LYS A 105 -4.614 -2.695 6.808 1.00 0.00 C ATOM 1481 CG LYS A 105 -3.513 -2.323 7.786 1.00 0.00 C ATOM 1482 CD LYS A 105 -3.735 -2.961 9.146 1.00 0.00 C ATOM 1483 CE LYS A 105 -3.422 -4.450 9.122 1.00 0.00 C ATOM 1484 NZ LYS A 105 -1.956 -4.709 9.162 1.00 0.00 N ATOM 0 H LYS A 105 -4.755 -0.728 5.116 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.184 -3.214 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.433 -1.983 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.009 -3.675 7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.549 -2.640 7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.472 -1.239 7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.106 -2.468 9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.769 -2.811 9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.900 -4.935 9.973 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.845 -4.896 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.785 -5.735 9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.507 -4.297 8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.550 -4.277 10.017 1.00 0.00 H new ATOM 1498 N ALA A 106 -4.630 -4.332 3.597 1.00 0.00 N ATOM 1499 CA ALA A 106 -5.473 -5.148 2.731 1.00 0.00 C ATOM 1500 C ALA A 106 -5.609 -6.566 3.275 1.00 0.00 C ATOM 1501 O ALA A 106 -4.801 -7.009 4.092 1.00 0.00 O ATOM 1502 CB ALA A 106 -4.908 -5.174 1.318 1.00 0.00 C ATOM 0 H ALA A 106 -3.629 -4.447 3.440 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.467 -4.700 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.547 -5.787 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.869 -4.159 0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.903 -5.595 1.336 1.00 0.00 H new ATOM 1508 N LYS A 107 -6.637 -7.273 2.818 1.00 0.00 N ATOM 1509 CA LYS A 107 -6.880 -8.642 3.258 1.00 0.00 C ATOM 1510 C LYS A 107 -6.982 -9.587 2.065 1.00 0.00 C ATOM 1511 O LYS A 107 -7.915 -9.496 1.266 1.00 0.00 O ATOM 1512 CB LYS A 107 -8.163 -8.712 4.089 1.00 0.00 C ATOM 1513 CG LYS A 107 -8.565 -10.127 4.469 1.00 0.00 C ATOM 1514 CD LYS A 107 -9.365 -10.151 5.761 1.00 0.00 C ATOM 1515 CE LYS A 107 -10.840 -9.881 5.508 1.00 0.00 C ATOM 1516 NZ LYS A 107 -11.644 -9.981 6.757 1.00 0.00 N ATOM 0 H LYS A 107 -7.316 -6.921 2.143 1.00 0.00 H new ATOM 0 HA LYS A 107 -6.037 -8.954 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.030 -8.125 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.975 -8.251 3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.156 -10.567 3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.672 -10.742 4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.249 -11.121 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.970 -9.403 6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.959 -8.886 5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.219 -10.592 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.644 -9.790 6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.551 -10.938 7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.299 -9.285 7.448 1.00 0.00 H new ATOM 1530 N VAL A 108 -6.018 -10.495 1.950 1.00 0.00 N ATOM 1531 CA VAL A 108 -6.002 -11.458 0.856 1.00 0.00 C ATOM 1532 C VAL A 108 -6.731 -12.740 1.242 1.00 0.00 C ATOM 1533 O VAL A 108 -6.563 -13.255 2.348 1.00 0.00 O ATOM 1534 CB VAL A 108 -4.561 -11.806 0.436 1.00 0.00 C ATOM 1535 CG1 VAL A 108 -4.560 -12.599 -0.862 1.00 0.00 C ATOM 1536 CG2 VAL A 108 -3.727 -10.542 0.299 1.00 0.00 C ATOM 0 H VAL A 108 -5.238 -10.584 2.601 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.515 -10.991 0.015 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.114 -12.426 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.534 -12.836 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.121 -13.523 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.025 -12.007 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.712 -10.806 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.170 -9.894 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.701 -10.018 1.255 1.00 0.00 H new ATOM 1546 N THR A 109 -7.542 -13.253 0.322 1.00 0.00 N ATOM 1547 CA THR A 109 -8.298 -14.475 0.565 1.00 0.00 C ATOM 1548 C THR A 109 -8.365 -15.339 -0.690 1.00 0.00 C ATOM 1549 O THR A 109 -8.306 -14.831 -1.809 1.00 0.00 O ATOM 1550 CB THR A 109 -9.730 -14.165 1.038 1.00 0.00 C ATOM 1551 OG1 THR A 109 -10.397 -13.340 0.075 1.00 0.00 O ATOM 1552 CG2 THR A 109 -9.715 -13.465 2.388 1.00 0.00 C ATOM 0 H THR A 109 -7.692 -12.841 -0.599 1.00 0.00 H new ATOM 0 HA THR A 109 -7.774 -15.020 1.350 1.00 0.00 H new ATOM 0 HB THR A 109 -10.266 -15.108 1.142 1.00 0.00 H new ATOM 0 HG1 THR A 109 -11.308 -13.149 0.383 1.00 0.00 H new ATOM 0 HG21 THR A 109 -10.738 -13.256 2.701 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.234 -14.107 3.126 1.00 0.00 H new ATOM 0 HG23 THR A 109 -9.163 -12.529 2.306 1.00 0.00 H new ATOM 1560 N GLY A 110 -8.489 -16.648 -0.495 1.00 0.00 N ATOM 1561 CA GLY A 110 -8.563 -17.562 -1.620 1.00 0.00 C ATOM 1562 C GLY A 110 -7.597 -18.723 -1.489 1.00 0.00 C ATOM 1563 O GLY A 110 -6.445 -18.538 -1.098 1.00 0.00 O ATOM 0 H GLY A 110 -8.540 -17.092 0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.579 -17.947 -1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.350 -17.018 -2.540 1.00 0.00 H new ATOM 1567 N GLN A 111 -8.068 -19.922 -1.816 1.00 0.00 N ATOM 1568 CA GLN A 111 -7.237 -21.117 -1.730 1.00 0.00 C ATOM 1569 C GLN A 111 -5.811 -20.823 -2.184 1.00 0.00 C ATOM 1570 O GLN A 111 -5.564 -20.574 -3.364 1.00 0.00 O ATOM 1571 CB GLN A 111 -7.834 -22.241 -2.580 1.00 0.00 C ATOM 1572 CG GLN A 111 -8.152 -21.821 -4.006 1.00 0.00 C ATOM 1573 CD GLN A 111 -8.918 -22.884 -4.770 1.00 0.00 C ATOM 1574 OE1 GLN A 111 -9.844 -23.499 -4.240 1.00 0.00 O ATOM 1575 NE2 GLN A 111 -8.535 -23.105 -6.022 1.00 0.00 N ATOM 0 H GLN A 111 -9.019 -20.092 -2.142 1.00 0.00 H new ATOM 0 HA GLN A 111 -7.208 -21.435 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -7.136 -23.078 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -8.746 -22.600 -2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.735 -20.900 -3.988 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.223 -21.600 -4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.762 -22.572 -6.421 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -9.014 -23.808 -6.585 1.00 0.00 H new ATOM 1584 N ARG A 112 -4.877 -20.853 -1.239 1.00 0.00 N ATOM 1585 CA ARG A 112 -3.476 -20.588 -1.542 1.00 0.00 C ATOM 1586 C ARG A 112 -3.064 -21.265 -2.846 1.00 0.00 C ATOM 1587 O ARG A 112 -3.752 -22.161 -3.338 1.00 0.00 O ATOM 1588 CB ARG A 112 -2.584 -21.075 -0.398 1.00 0.00 C ATOM 1589 CG ARG A 112 -2.435 -22.586 -0.343 1.00 0.00 C ATOM 1590 CD ARG A 112 -3.506 -23.220 0.531 1.00 0.00 C ATOM 1591 NE ARG A 112 -3.798 -24.594 0.129 1.00 0.00 N ATOM 1592 CZ ARG A 112 -4.863 -25.270 0.544 1.00 0.00 C ATOM 1593 NH1 ARG A 112 -5.733 -24.703 1.368 1.00 0.00 N ATOM 1594 NH2 ARG A 112 -5.059 -26.517 0.134 1.00 0.00 N ATOM 0 H ARG A 112 -5.065 -21.058 -0.258 1.00 0.00 H new ATOM 0 HA ARG A 112 -3.353 -19.511 -1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.597 -20.625 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -2.997 -20.724 0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.497 -22.996 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.449 -22.842 0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.179 -23.208 1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -4.418 -22.625 0.477 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.148 -25.059 -0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -5.585 -23.745 1.685 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -6.550 -25.225 1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.392 -26.956 -0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -5.877 -27.036 0.453 1.00 0.00 H new ATOM 1608 N LEU A 113 -1.937 -20.832 -3.401 1.00 0.00 N ATOM 1609 CA LEU A 113 -1.433 -21.396 -4.648 1.00 0.00 C ATOM 1610 C LEU A 113 -0.162 -22.204 -4.406 1.00 0.00 C ATOM 1611 O LEU A 113 0.571 -21.956 -3.448 1.00 0.00 O ATOM 1612 CB LEU A 113 -1.158 -20.282 -5.660 1.00 0.00 C ATOM 1613 CG LEU A 113 -2.315 -19.319 -5.928 1.00 0.00 C ATOM 1614 CD1 LEU A 113 -1.809 -18.051 -6.599 1.00 0.00 C ATOM 1615 CD2 LEU A 113 -3.379 -19.989 -6.785 1.00 0.00 C ATOM 0 H LEU A 113 -1.355 -20.092 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.195 -22.064 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.303 -19.703 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -0.867 -20.741 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.764 -19.046 -4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.646 -17.377 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.084 -17.560 -5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.334 -18.305 -7.547 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.195 -19.289 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.942 -20.291 -7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.763 -20.868 -6.267 1.00 0.00 H new