USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 581 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 396 HIS : no HE2:sc= 0.217 K(o=0.45,f=-1.5) USER MOD Set 1.2: A 405 THR OG1 : rot -86:sc= 0.231 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 380 SER OG : rot -40:sc= -0.997! USER MOD Set 3.1: A 373 GLN :FLIP amide:sc= -6.44! C(o=-8.7!,f=-6.4!) USER MOD Set 3.2: A 391 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 363 GLN :FLIP amide:sc= -1.59 F(o=-6.8!,f=-3.7) USER MOD Set 4.2: A 370 SER OG : rot 118:sc= -2.16! USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= -0.0566 K(o=-0.057,f=-2.1) USER MOD Single : A 357 MET CE :methyl 163:sc= -0.157 (180deg=-0.63) USER MOD Single : A 362 THR OG1 : rot 180:sc= 0 USER MOD Single : A 364 LYS NZ :NH3+ -166:sc= -0.0245 (180deg=-0.214) USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 366 LYS NZ :NH3+ 132:sc= -0.0293 (180deg=-0.282) USER MOD Single : A 371 GLN : amide:sc= -0.774 K(o=-0.77,f=-2.9!) USER MOD Single : A 372 GLN : amide:sc= 0.0344 X(o=0.034,f=-0.03) USER MOD Single : A 382 ASN :FLIP amide:sc= -4.73! C(o=-10!,f=-4.7!) USER MOD Single : A 383 LYS NZ :NH3+ -165:sc= -0.0398 (180deg=-0.283) USER MOD Single : A 384 LYS NZ :NH3+ -147:sc= 0.1 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0.302 K(o=0.3,f=-4!) USER MOD Single : A 390 LYS NZ :NH3+ 166:sc= 0.752 (180deg=0.544) USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= 0.382 K(o=0.38,f=-3.3!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.598 F(o=-4.5!,f=-0.6) USER MOD Single : A 402 LYS NZ :NH3+ -165:sc= -0.0503 (180deg=-0.32) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ 168:sc= -0.036 (180deg=-0.209) USER MOD Single : A 418 THR OG1 : rot -76:sc= 1.18 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN :FLIP amide:sc= -3.99! C(o=-4.9!,f=-4!) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN :FLIP amide:sc= -1.84 F(o=-5.3!,f=-1.8) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 25.683 -12.442 6.822 1.00 0.00 N ATOM 2 CA GLY A 354 26.654 -11.461 6.265 1.00 0.00 C ATOM 3 C GLY A 354 26.806 -11.587 4.762 1.00 0.00 C ATOM 4 O GLY A 354 27.921 -11.558 4.239 1.00 0.00 O ATOM 0 HA2 GLY A 354 26.327 -10.451 6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 354 27.625 -11.606 6.739 1.00 0.00 H new ATOM 10 N SER A 355 25.682 -11.732 4.067 1.00 0.00 N ATOM 11 CA SER A 355 25.687 -11.866 2.615 1.00 0.00 C ATOM 12 C SER A 355 26.085 -10.550 1.941 1.00 0.00 C ATOM 13 O SER A 355 26.979 -9.848 2.413 1.00 0.00 O ATOM 14 CB SER A 355 24.311 -12.322 2.126 1.00 0.00 C ATOM 15 OG SER A 355 23.957 -13.573 2.689 1.00 0.00 O ATOM 0 H SER A 355 24.753 -11.760 4.488 1.00 0.00 H new ATOM 0 HA SER A 355 26.427 -12.618 2.343 1.00 0.00 H new ATOM 0 HB2 SER A 355 23.562 -11.576 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 355 24.315 -12.397 1.039 1.00 0.00 H new ATOM 0 HG SER A 355 23.073 -13.841 2.362 1.00 0.00 H new ATOM 21 N HIS A 356 25.416 -10.223 0.836 1.00 0.00 N ATOM 22 CA HIS A 356 25.702 -8.994 0.102 1.00 0.00 C ATOM 23 C HIS A 356 25.427 -7.765 0.961 1.00 0.00 C ATOM 24 O HIS A 356 24.435 -7.713 1.689 1.00 0.00 O ATOM 25 CB HIS A 356 24.864 -8.934 -1.177 1.00 0.00 C ATOM 26 CG HIS A 356 25.135 -10.058 -2.129 1.00 0.00 C ATOM 27 ND1 HIS A 356 24.955 -11.385 -1.801 1.00 0.00 N ATOM 28 CD2 HIS A 356 25.569 -10.046 -3.413 1.00 0.00 C ATOM 29 CE1 HIS A 356 25.266 -12.140 -2.839 1.00 0.00 C ATOM 30 NE2 HIS A 356 25.642 -11.352 -3.830 1.00 0.00 N ATOM 0 H HIS A 356 24.673 -10.792 0.431 1.00 0.00 H new ATOM 0 HA HIS A 356 26.760 -8.998 -0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 356 23.807 -8.944 -0.909 1.00 0.00 H new ATOM 0 HB3 HIS A 356 25.056 -7.988 -1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 356 25.812 -9.172 -3.999 1.00 0.00 H new ATOM 0 HE1 HIS A 356 25.221 -13.219 -2.872 1.00 0.00 H new ATOM 0 HE2 HIS A 356 25.938 -11.663 -4.755 1.00 0.00 H new ATOM 39 N MET A 357 26.312 -6.775 0.871 1.00 0.00 N ATOM 40 CA MET A 357 26.166 -5.543 1.638 1.00 0.00 C ATOM 41 C MET A 357 24.870 -4.826 1.273 1.00 0.00 C ATOM 42 O MET A 357 24.140 -4.355 2.145 1.00 0.00 O ATOM 43 CB MET A 357 27.361 -4.620 1.389 1.00 0.00 C ATOM 44 CG MET A 357 27.310 -3.326 2.186 1.00 0.00 C ATOM 45 SD MET A 357 27.341 -3.606 3.968 1.00 0.00 S ATOM 46 CE MET A 357 28.933 -4.404 4.159 1.00 0.00 C ATOM 0 H MET A 357 27.138 -6.803 0.274 1.00 0.00 H new ATOM 0 HA MET A 357 26.130 -5.804 2.696 1.00 0.00 H new ATOM 0 HB2 MET A 357 28.279 -5.153 1.637 1.00 0.00 H new ATOM 0 HB3 MET A 357 27.409 -4.381 0.327 1.00 0.00 H new ATOM 0 HG2 MET A 357 28.156 -2.698 1.906 1.00 0.00 H new ATOM 0 HG3 MET A 357 26.405 -2.778 1.924 1.00 0.00 H new ATOM 0 HE1 MET A 357 29.234 -4.369 5.206 1.00 0.00 H new ATOM 0 HE2 MET A 357 28.860 -5.443 3.837 1.00 0.00 H new ATOM 0 HE3 MET A 357 29.675 -3.887 3.550 1.00 0.00 H new ATOM 56 N LEU A 358 24.593 -4.749 -0.024 1.00 0.00 N ATOM 57 CA LEU A 358 23.386 -4.092 -0.513 1.00 0.00 C ATOM 58 C LEU A 358 22.136 -4.833 -0.044 1.00 0.00 C ATOM 59 O LEU A 358 22.102 -6.063 -0.034 1.00 0.00 O ATOM 60 CB LEU A 358 23.406 -4.014 -2.041 1.00 0.00 C ATOM 61 CG LEU A 358 24.592 -3.251 -2.639 1.00 0.00 C ATOM 62 CD1 LEU A 358 24.546 -3.305 -4.158 1.00 0.00 C ATOM 63 CD2 LEU A 358 24.600 -1.806 -2.158 1.00 0.00 C ATOM 0 H LEU A 358 25.189 -5.134 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 358 23.361 -3.081 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 358 23.408 -5.028 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 358 22.483 -3.541 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 358 25.512 -3.729 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 358 25.395 -2.758 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 358 24.590 -4.343 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 358 23.619 -2.852 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 358 25.450 -1.282 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 358 23.676 -1.316 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 358 24.680 -1.785 -1.071 1.00 0.00 H new ATOM 75 N GLU A 359 21.112 -4.075 0.343 1.00 0.00 N ATOM 76 CA GLU A 359 19.862 -4.662 0.816 1.00 0.00 C ATOM 77 C GLU A 359 18.763 -3.607 0.921 1.00 0.00 C ATOM 78 O GLU A 359 17.995 -3.589 1.884 1.00 0.00 O ATOM 79 CB GLU A 359 20.074 -5.333 2.175 1.00 0.00 C ATOM 80 CG GLU A 359 20.608 -4.389 3.240 1.00 0.00 C ATOM 81 CD GLU A 359 20.820 -5.075 4.576 1.00 0.00 C ATOM 82 OE1 GLU A 359 21.598 -6.051 4.624 1.00 0.00 O ATOM 83 OE2 GLU A 359 20.211 -4.634 5.573 1.00 0.00 O ATOM 0 H GLU A 359 21.124 -3.055 0.338 1.00 0.00 H new ATOM 0 HA GLU A 359 19.547 -5.412 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 359 19.128 -5.754 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 359 20.769 -6.165 2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 359 21.552 -3.962 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 359 19.911 -3.561 3.368 1.00 0.00 H new ATOM 90 N VAL A 360 18.691 -2.730 -0.077 1.00 0.00 N ATOM 91 CA VAL A 360 17.684 -1.675 -0.097 1.00 0.00 C ATOM 92 C VAL A 360 16.283 -2.266 -0.241 1.00 0.00 C ATOM 93 O VAL A 360 15.995 -2.966 -1.212 1.00 0.00 O ATOM 94 CB VAL A 360 17.940 -0.686 -1.255 1.00 0.00 C ATOM 95 CG1 VAL A 360 16.945 0.462 -1.217 1.00 0.00 C ATOM 96 CG2 VAL A 360 19.368 -0.163 -1.204 1.00 0.00 C ATOM 0 H VAL A 360 19.318 -2.730 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 360 17.754 -1.139 0.850 1.00 0.00 H new ATOM 0 HB VAL A 360 17.803 -1.220 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 360 17.146 1.145 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 360 15.932 0.069 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 360 17.042 0.996 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 360 19.530 0.532 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 360 19.534 0.351 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 360 20.064 -0.997 -1.291 1.00 0.00 H new ATOM 106 N LEU A 361 15.416 -1.979 0.732 1.00 0.00 N ATOM 107 CA LEU A 361 14.044 -2.484 0.719 1.00 0.00 C ATOM 108 C LEU A 361 14.014 -3.986 0.429 1.00 0.00 C ATOM 109 O LEU A 361 14.336 -4.796 1.300 1.00 0.00 O ATOM 110 CB LEU A 361 13.188 -1.720 -0.299 1.00 0.00 C ATOM 111 CG LEU A 361 12.759 -0.311 0.127 1.00 0.00 C ATOM 112 CD1 LEU A 361 13.964 0.604 0.279 1.00 0.00 C ATOM 113 CD2 LEU A 361 11.770 0.270 -0.873 1.00 0.00 C ATOM 0 H LEU A 361 15.641 -1.398 1.540 1.00 0.00 H new ATOM 0 HA LEU A 361 13.621 -2.322 1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 361 13.745 -1.645 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 361 12.293 -2.306 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 361 12.268 -0.386 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 361 13.631 1.597 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 361 14.635 0.199 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 361 14.491 0.673 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 361 11.476 1.270 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 361 12.237 0.324 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 361 10.888 -0.368 -0.925 1.00 0.00 H new ATOM 125 N THR A 362 13.625 -4.355 -0.790 1.00 0.00 N ATOM 126 CA THR A 362 13.558 -5.762 -1.177 1.00 0.00 C ATOM 127 C THR A 362 13.353 -5.920 -2.683 1.00 0.00 C ATOM 128 O THR A 362 13.947 -6.798 -3.309 1.00 0.00 O ATOM 129 CB THR A 362 12.427 -6.497 -0.433 1.00 0.00 C ATOM 130 OG1 THR A 362 12.354 -7.859 -0.872 1.00 0.00 O ATOM 131 CG2 THR A 362 11.087 -5.814 -0.660 1.00 0.00 C ATOM 0 H THR A 362 13.352 -3.701 -1.524 1.00 0.00 H new ATOM 0 HA THR A 362 14.514 -6.207 -0.901 1.00 0.00 H new ATOM 0 HB THR A 362 12.652 -6.469 0.633 1.00 0.00 H new ATOM 0 HG1 THR A 362 11.633 -8.319 -0.393 1.00 0.00 H new ATOM 0 HG21 THR A 362 10.308 -6.355 -0.123 1.00 0.00 H new ATOM 0 HG22 THR A 362 11.135 -4.788 -0.294 1.00 0.00 H new ATOM 0 HG23 THR A 362 10.857 -5.809 -1.725 1.00 0.00 H new ATOM 139 N GLN A 363 12.508 -5.067 -3.257 1.00 0.00 N ATOM 140 CA GLN A 363 12.222 -5.107 -4.688 1.00 0.00 C ATOM 141 C GLN A 363 13.510 -5.092 -5.507 1.00 0.00 C ATOM 142 O GLN A 363 14.483 -4.434 -5.138 1.00 0.00 O ATOM 143 CB GLN A 363 11.338 -3.922 -5.078 1.00 0.00 C ATOM 144 CG GLN A 363 11.980 -2.569 -4.812 1.00 0.00 C ATOM 145 CD GLN A 363 11.007 -1.419 -4.979 1.00 0.00 C ATOM 146 OE1 GLN A 363 10.872 -0.604 -3.940 1.00 0.00 O flip ATOM 147 NE2 GLN A 363 10.386 -1.263 -6.029 1.00 0.00 N flip ATOM 0 H GLN A 363 12.008 -4.337 -2.750 1.00 0.00 H new ATOM 0 HA GLN A 363 11.694 -6.036 -4.904 1.00 0.00 H new ATOM 0 HB2 GLN A 363 11.092 -3.996 -6.137 1.00 0.00 H new ATOM 0 HB3 GLN A 363 10.399 -3.984 -4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 363 12.383 -2.555 -3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 363 12.821 -2.430 -5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 363 10.521 -1.914 -6.803 1.00 0.00 H new ATOM 0 HE22 GLN A 363 9.736 -0.483 -6.126 1.00 0.00 H new ATOM 156 N LYS A 364 13.509 -5.824 -6.618 1.00 0.00 N ATOM 157 CA LYS A 364 14.677 -5.900 -7.486 1.00 0.00 C ATOM 158 C LYS A 364 14.262 -5.834 -8.953 1.00 0.00 C ATOM 159 O LYS A 364 14.164 -6.855 -9.634 1.00 0.00 O ATOM 160 CB LYS A 364 15.456 -7.189 -7.218 1.00 0.00 C ATOM 161 CG LYS A 364 15.989 -7.296 -5.796 1.00 0.00 C ATOM 162 CD LYS A 364 17.008 -6.207 -5.494 1.00 0.00 C ATOM 163 CE LYS A 364 18.245 -6.336 -6.371 1.00 0.00 C ATOM 164 NZ LYS A 364 18.943 -7.633 -6.158 1.00 0.00 N ATOM 0 H LYS A 364 12.711 -6.373 -6.937 1.00 0.00 H new ATOM 0 HA LYS A 364 15.321 -5.048 -7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 364 14.809 -8.043 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 364 16.291 -7.250 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 364 15.161 -7.225 -5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 364 16.448 -8.274 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 364 16.552 -5.229 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 364 17.298 -6.261 -4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 364 17.958 -6.246 -7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 364 18.930 -5.516 -6.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 19.891 -7.591 -6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 19.028 -7.818 -5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 18.398 -8.398 -6.604 1.00 0.00 H new ATOM 178 N HIS A 365 14.021 -4.616 -9.424 1.00 0.00 N ATOM 179 CA HIS A 365 13.613 -4.378 -10.805 1.00 0.00 C ATOM 180 C HIS A 365 13.515 -2.880 -11.066 1.00 0.00 C ATOM 181 O HIS A 365 13.916 -2.389 -12.121 1.00 0.00 O ATOM 182 CB HIS A 365 12.265 -5.047 -11.088 1.00 0.00 C ATOM 183 CG HIS A 365 11.791 -4.872 -12.497 1.00 0.00 C ATOM 184 ND1 HIS A 365 12.502 -5.316 -13.592 1.00 0.00 N ATOM 185 CD2 HIS A 365 10.667 -4.298 -12.989 1.00 0.00 C ATOM 186 CE1 HIS A 365 11.838 -5.022 -14.695 1.00 0.00 C ATOM 187 NE2 HIS A 365 10.722 -4.405 -14.358 1.00 0.00 N ATOM 0 H HIS A 365 14.102 -3.768 -8.863 1.00 0.00 H new ATOM 0 HA HIS A 365 14.362 -4.809 -11.469 1.00 0.00 H new ATOM 0 HB2 HIS A 365 12.345 -6.112 -10.871 1.00 0.00 H new ATOM 0 HB3 HIS A 365 11.517 -4.638 -10.409 1.00 0.00 H new ATOM 0 HD2 HIS A 365 9.876 -3.842 -12.413 1.00 0.00 H new ATOM 0 HE1 HIS A 365 12.155 -5.248 -15.702 1.00 0.00 H new ATOM 0 HE2 HIS A 365 10.014 -4.063 -15.008 1.00 0.00 H new ATOM 196 N LYS A 366 12.982 -2.162 -10.081 1.00 0.00 N ATOM 197 CA LYS A 366 12.824 -0.716 -10.167 1.00 0.00 C ATOM 198 C LYS A 366 12.363 -0.160 -8.821 1.00 0.00 C ATOM 199 O LYS A 366 11.312 -0.551 -8.313 1.00 0.00 O ATOM 200 CB LYS A 366 11.814 -0.353 -11.259 1.00 0.00 C ATOM 201 CG LYS A 366 11.630 1.145 -11.450 1.00 0.00 C ATOM 202 CD LYS A 366 12.914 1.811 -11.918 1.00 0.00 C ATOM 203 CE LYS A 366 12.743 3.314 -12.059 1.00 0.00 C ATOM 204 NZ LYS A 366 12.408 3.959 -10.760 1.00 0.00 N ATOM 0 H LYS A 366 12.649 -2.565 -9.205 1.00 0.00 H new ATOM 0 HA LYS A 366 13.787 -0.274 -10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 366 12.138 -0.793 -12.202 1.00 0.00 H new ATOM 0 HB3 LYS A 366 10.851 -0.800 -11.013 1.00 0.00 H new ATOM 0 HG2 LYS A 366 10.839 1.325 -12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 366 11.307 1.595 -10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 366 13.714 1.600 -11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 366 13.217 1.387 -12.875 1.00 0.00 H new ATOM 0 HE2 LYS A 366 13.661 3.748 -12.454 1.00 0.00 H new ATOM 0 HE3 LYS A 366 11.955 3.523 -12.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 13.019 4.788 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 11.413 4.260 -10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 12.558 3.280 -9.986 1.00 0.00 H new ATOM 218 N PRO A 367 13.143 0.758 -8.219 1.00 0.00 N ATOM 219 CA PRO A 367 12.803 1.352 -6.923 1.00 0.00 C ATOM 220 C PRO A 367 11.628 2.317 -7.005 1.00 0.00 C ATOM 221 O PRO A 367 11.588 3.191 -7.871 1.00 0.00 O ATOM 222 CB PRO A 367 14.074 2.089 -6.525 1.00 0.00 C ATOM 223 CG PRO A 367 14.752 2.406 -7.807 1.00 0.00 C ATOM 224 CD PRO A 367 14.415 1.285 -8.749 1.00 0.00 C ATOM 0 HA PRO A 367 12.489 0.595 -6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 367 13.845 2.996 -5.965 1.00 0.00 H new ATOM 0 HB3 PRO A 367 14.705 1.471 -5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 367 14.410 3.362 -8.202 1.00 0.00 H new ATOM 0 HG3 PRO A 367 15.830 2.486 -7.668 1.00 0.00 H new ATOM 0 HD2 PRO A 367 14.306 1.641 -9.773 1.00 0.00 H new ATOM 0 HD3 PRO A 367 15.193 0.521 -8.758 1.00 0.00 H new ATOM 232 N ALA A 368 10.679 2.153 -6.086 1.00 0.00 N ATOM 233 CA ALA A 368 9.498 3.006 -6.035 1.00 0.00 C ATOM 234 C ALA A 368 8.629 2.663 -4.826 1.00 0.00 C ATOM 235 O ALA A 368 7.402 2.740 -4.892 1.00 0.00 O ATOM 236 CB ALA A 368 8.691 2.878 -7.319 1.00 0.00 C ATOM 0 H ALA A 368 10.707 1.433 -5.364 1.00 0.00 H new ATOM 0 HA ALA A 368 9.832 4.039 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 368 7.813 3.522 -7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 368 9.307 3.177 -8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 368 8.374 1.843 -7.448 1.00 0.00 H new ATOM 242 N GLU A 369 9.277 2.290 -3.723 1.00 0.00 N ATOM 243 CA GLU A 369 8.568 1.940 -2.495 1.00 0.00 C ATOM 244 C GLU A 369 7.509 0.871 -2.754 1.00 0.00 C ATOM 245 O GLU A 369 6.340 1.045 -2.406 1.00 0.00 O ATOM 246 CB GLU A 369 7.917 3.183 -1.878 1.00 0.00 C ATOM 247 CG GLU A 369 8.911 4.242 -1.424 1.00 0.00 C ATOM 248 CD GLU A 369 9.705 4.837 -2.571 1.00 0.00 C ATOM 249 OE1 GLU A 369 9.083 5.424 -3.481 1.00 0.00 O ATOM 250 OE2 GLU A 369 10.948 4.715 -2.559 1.00 0.00 O ATOM 0 H GLU A 369 10.293 2.223 -3.656 1.00 0.00 H new ATOM 0 HA GLU A 369 9.298 1.536 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 369 7.239 3.625 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 369 7.312 2.878 -1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 369 8.375 5.039 -0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 369 9.599 3.802 -0.702 1.00 0.00 H new ATOM 257 N SER A 370 7.922 -0.234 -3.368 1.00 0.00 N ATOM 258 CA SER A 370 7.003 -1.326 -3.674 1.00 0.00 C ATOM 259 C SER A 370 6.384 -1.890 -2.403 1.00 0.00 C ATOM 260 O SER A 370 5.176 -2.115 -2.331 1.00 0.00 O ATOM 261 CB SER A 370 7.726 -2.435 -4.439 1.00 0.00 C ATOM 262 OG SER A 370 8.794 -2.969 -3.675 1.00 0.00 O ATOM 0 H SER A 370 8.885 -0.397 -3.663 1.00 0.00 H new ATOM 0 HA SER A 370 6.204 -0.927 -4.299 1.00 0.00 H new ATOM 0 HB2 SER A 370 7.021 -3.228 -4.689 1.00 0.00 H new ATOM 0 HB3 SER A 370 8.109 -2.041 -5.380 1.00 0.00 H new ATOM 0 HG SER A 370 8.627 -3.918 -3.498 1.00 0.00 H new ATOM 268 N GLN A 371 7.225 -2.119 -1.408 1.00 0.00 N ATOM 269 CA GLN A 371 6.777 -2.660 -0.130 1.00 0.00 C ATOM 270 C GLN A 371 5.949 -1.635 0.641 1.00 0.00 C ATOM 271 O GLN A 371 4.894 -1.959 1.187 1.00 0.00 O ATOM 272 CB GLN A 371 7.979 -3.099 0.711 1.00 0.00 C ATOM 273 CG GLN A 371 7.600 -3.738 2.039 1.00 0.00 C ATOM 274 CD GLN A 371 6.840 -5.041 1.871 1.00 0.00 C ATOM 275 OE1 GLN A 371 5.753 -5.070 1.293 1.00 0.00 O ATOM 276 NE2 GLN A 371 7.410 -6.128 2.378 1.00 0.00 N ATOM 0 H GLN A 371 8.228 -1.938 -1.459 1.00 0.00 H new ATOM 0 HA GLN A 371 6.147 -3.526 -0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 371 8.574 -3.807 0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 371 8.612 -2.233 0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 371 8.504 -3.923 2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 371 6.991 -3.039 2.612 1.00 0.00 H new ATOM 0 HE21 GLN A 371 8.312 -6.058 2.849 1.00 0.00 H new ATOM 0 HE22 GLN A 371 6.946 -7.033 2.296 1.00 0.00 H new ATOM 285 N GLN A 372 6.439 -0.399 0.687 1.00 0.00 N ATOM 286 CA GLN A 372 5.749 0.675 1.399 1.00 0.00 C ATOM 287 C GLN A 372 4.419 1.021 0.735 1.00 0.00 C ATOM 288 O GLN A 372 4.348 1.206 -0.480 1.00 0.00 O ATOM 289 CB GLN A 372 6.638 1.920 1.467 1.00 0.00 C ATOM 290 CG GLN A 372 5.981 3.108 2.151 1.00 0.00 C ATOM 291 CD GLN A 372 5.564 2.807 3.576 1.00 0.00 C ATOM 292 OE1 GLN A 372 6.393 2.463 4.419 1.00 0.00 O ATOM 293 NE2 GLN A 372 4.272 2.936 3.854 1.00 0.00 N ATOM 0 H GLN A 372 7.311 -0.115 0.240 1.00 0.00 H new ATOM 0 HA GLN A 372 5.540 0.324 2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 372 7.557 1.670 1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 372 6.922 2.207 0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 372 6.673 3.950 2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 372 5.106 3.413 1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 372 3.620 3.224 3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 372 3.932 2.748 4.797 1.00 0.00 H new ATOM 302 N GLN A 373 3.371 1.113 1.548 1.00 0.00 N ATOM 303 CA GLN A 373 2.039 1.447 1.058 1.00 0.00 C ATOM 304 C GLN A 373 1.986 2.899 0.590 1.00 0.00 C ATOM 305 O GLN A 373 2.574 3.782 1.216 1.00 0.00 O ATOM 306 CB GLN A 373 1.000 1.215 2.158 1.00 0.00 C ATOM 307 CG GLN A 373 -0.432 1.480 1.721 1.00 0.00 C ATOM 308 CD GLN A 373 -0.913 0.512 0.658 1.00 0.00 C ATOM 309 OE1 GLN A 373 -1.930 -0.273 0.992 1.00 0.00 O flip ATOM 310 NE2 GLN A 373 -0.375 0.468 -0.450 1.00 0.00 N flip ATOM 0 H GLN A 373 3.420 0.960 2.555 1.00 0.00 H new ATOM 0 HA GLN A 373 1.812 0.800 0.210 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.078 0.185 2.506 1.00 0.00 H new ATOM 0 HB3 GLN A 373 1.235 1.857 3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -1.089 1.415 2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.508 2.498 1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 373 0.404 1.090 -0.664 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -0.709 -0.191 -1.153 1.00 0.00 H new ATOM 319 N ALA A 374 1.281 3.144 -0.513 1.00 0.00 N ATOM 320 CA ALA A 374 1.159 4.492 -1.053 1.00 0.00 C ATOM 321 C ALA A 374 -0.304 4.886 -1.217 1.00 0.00 C ATOM 322 O ALA A 374 -1.103 4.133 -1.774 1.00 0.00 O ATOM 323 CB ALA A 374 1.887 4.595 -2.385 1.00 0.00 C ATOM 0 H ALA A 374 0.788 2.428 -1.047 1.00 0.00 H new ATOM 0 HA ALA A 374 1.618 5.183 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.787 5.607 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.942 4.364 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.453 3.888 -3.092 1.00 0.00 H new ATOM 329 N ALA A 375 -0.648 6.071 -0.724 1.00 0.00 N ATOM 330 CA ALA A 375 -2.014 6.568 -0.811 1.00 0.00 C ATOM 331 C ALA A 375 -2.461 6.698 -2.264 1.00 0.00 C ATOM 332 O ALA A 375 -2.174 7.694 -2.927 1.00 0.00 O ATOM 333 CB ALA A 375 -2.135 7.906 -0.098 1.00 0.00 C ATOM 0 H ALA A 375 0.002 6.705 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.668 5.847 -0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.161 8.266 -0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.867 7.785 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.464 8.628 -0.563 1.00 0.00 H new ATOM 339 N GLU A 376 -3.168 5.681 -2.745 1.00 0.00 N ATOM 340 CA GLU A 376 -3.669 5.664 -4.110 1.00 0.00 C ATOM 341 C GLU A 376 -4.773 6.699 -4.290 1.00 0.00 C ATOM 342 O GLU A 376 -4.735 7.769 -3.682 1.00 0.00 O ATOM 343 CB GLU A 376 -4.174 4.262 -4.457 1.00 0.00 C ATOM 344 CG GLU A 376 -3.121 3.181 -4.287 1.00 0.00 C ATOM 345 CD GLU A 376 -3.589 1.834 -4.797 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.894 1.729 -6.005 1.00 0.00 O ATOM 347 OE2 GLU A 376 -3.653 0.885 -3.993 1.00 0.00 O ATOM 0 H GLU A 376 -3.407 4.851 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 376 -2.857 5.922 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.031 4.026 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.527 4.256 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.215 3.473 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.858 3.096 -3.233 1.00 0.00 H new ATOM 354 N THR A 377 -5.746 6.386 -5.129 1.00 0.00 N ATOM 355 CA THR A 377 -6.845 7.297 -5.390 1.00 0.00 C ATOM 356 C THR A 377 -8.159 6.545 -5.501 1.00 0.00 C ATOM 357 O THR A 377 -8.178 5.355 -5.816 1.00 0.00 O ATOM 358 CB THR A 377 -6.600 8.104 -6.676 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.564 7.226 -7.808 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.287 8.864 -6.575 1.00 0.00 C ATOM 0 H THR A 377 -5.796 5.506 -5.642 1.00 0.00 H new ATOM 0 HA THR A 377 -6.904 7.987 -4.549 1.00 0.00 H new ATOM 0 HB THR A 377 -7.415 8.817 -6.802 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.409 7.749 -8.623 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.124 9.432 -7.491 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.326 9.547 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.468 8.158 -6.435 1.00 0.00 H new ATOM 368 N GLU A 378 -9.253 7.242 -5.217 1.00 0.00 N ATOM 369 CA GLU A 378 -10.577 6.641 -5.266 1.00 0.00 C ATOM 370 C GLU A 378 -10.743 5.806 -6.525 1.00 0.00 C ATOM 371 O GLU A 378 -11.364 4.745 -6.508 1.00 0.00 O ATOM 372 CB GLU A 378 -11.650 7.727 -5.216 1.00 0.00 C ATOM 373 CG GLU A 378 -13.064 7.179 -5.117 1.00 0.00 C ATOM 374 CD GLU A 378 -14.117 8.269 -5.102 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.741 9.461 -5.132 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.319 7.932 -5.055 1.00 0.00 O ATOM 0 H GLU A 378 -9.247 8.226 -4.950 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.689 5.988 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.460 8.375 -4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.571 8.346 -6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.250 6.512 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.154 6.581 -4.210 1.00 0.00 H new ATOM 383 N GLY A 379 -10.182 6.302 -7.619 1.00 0.00 N ATOM 384 CA GLY A 379 -10.274 5.606 -8.885 1.00 0.00 C ATOM 385 C GLY A 379 -9.609 4.246 -8.879 1.00 0.00 C ATOM 386 O GLY A 379 -10.146 3.292 -9.440 1.00 0.00 O ATOM 0 H GLY A 379 -9.662 7.179 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.325 5.486 -9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.819 6.220 -9.662 1.00 0.00 H new ATOM 390 N SER A 380 -8.439 4.148 -8.259 1.00 0.00 N ATOM 391 CA SER A 380 -7.722 2.878 -8.214 1.00 0.00 C ATOM 392 C SER A 380 -8.427 1.875 -7.303 1.00 0.00 C ATOM 393 O SER A 380 -8.644 0.726 -7.681 1.00 0.00 O ATOM 394 CB SER A 380 -6.287 3.094 -7.737 1.00 0.00 C ATOM 395 OG SER A 380 -6.264 3.648 -6.435 1.00 0.00 O ATOM 0 H SER A 380 -7.971 4.921 -7.786 1.00 0.00 H new ATOM 0 HA SER A 380 -7.706 2.469 -9.224 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.751 2.145 -7.742 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.766 3.757 -8.428 1.00 0.00 H new ATOM 0 HG SER A 380 -6.971 4.322 -6.354 1.00 0.00 H new ATOM 401 N CYS A 381 -8.764 2.324 -6.099 1.00 0.00 N ATOM 402 CA CYS A 381 -9.427 1.480 -5.106 1.00 0.00 C ATOM 403 C CYS A 381 -10.705 0.835 -5.637 1.00 0.00 C ATOM 404 O CYS A 381 -10.913 -0.367 -5.474 1.00 0.00 O ATOM 405 CB CYS A 381 -9.752 2.305 -3.866 1.00 0.00 C ATOM 406 SG CYS A 381 -8.287 2.978 -3.021 1.00 0.00 S ATOM 0 H CYS A 381 -8.587 3.278 -5.783 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.736 0.674 -4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.405 3.130 -4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.310 1.684 -3.165 1.00 0.00 H new ATOM 411 N ASN A 382 -11.566 1.637 -6.252 1.00 0.00 N ATOM 412 CA ASN A 382 -12.831 1.134 -6.782 1.00 0.00 C ATOM 413 C ASN A 382 -12.608 -0.050 -7.714 1.00 0.00 C ATOM 414 O ASN A 382 -13.444 -0.949 -7.807 1.00 0.00 O ATOM 415 CB ASN A 382 -13.581 2.240 -7.531 1.00 0.00 C ATOM 416 CG ASN A 382 -13.867 3.455 -6.669 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.418 3.426 -5.420 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.487 4.417 -7.125 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.414 2.635 -6.397 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.431 0.802 -5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.994 2.546 -8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.522 1.841 -7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.816 4.401 -8.091 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.672 5.230 -6.537 1.00 0.00 H new ATOM 425 N LYS A 383 -11.485 -0.028 -8.416 1.00 0.00 N ATOM 426 CA LYS A 383 -11.150 -1.081 -9.364 1.00 0.00 C ATOM 427 C LYS A 383 -10.551 -2.312 -8.681 1.00 0.00 C ATOM 428 O LYS A 383 -10.692 -3.428 -9.183 1.00 0.00 O ATOM 429 CB LYS A 383 -10.177 -0.538 -10.412 1.00 0.00 C ATOM 430 CG LYS A 383 -10.661 0.741 -11.082 1.00 0.00 C ATOM 431 CD LYS A 383 -11.990 0.540 -11.798 1.00 0.00 C ATOM 432 CE LYS A 383 -11.859 -0.427 -12.966 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.922 0.082 -14.005 1.00 0.00 N ATOM 0 H LYS A 383 -10.786 0.712 -8.346 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.076 -1.399 -9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.213 -0.349 -9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.014 -1.300 -11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.768 1.525 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.912 1.082 -11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.730 0.161 -11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.357 1.500 -12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.507 -1.392 -12.601 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.840 -0.593 -13.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.048 -0.462 -14.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -11.120 1.086 -14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -9.943 -0.022 -13.671 1.00 0.00 H new ATOM 447 N LYS A 384 -9.861 -2.113 -7.559 1.00 0.00 N ATOM 448 CA LYS A 384 -9.229 -3.215 -6.857 1.00 0.00 C ATOM 449 C LYS A 384 -10.237 -4.201 -6.307 1.00 0.00 C ATOM 450 O LYS A 384 -11.361 -3.848 -5.948 1.00 0.00 O ATOM 451 CB LYS A 384 -8.355 -2.691 -5.732 1.00 0.00 C ATOM 452 CG LYS A 384 -7.486 -1.537 -6.171 1.00 0.00 C ATOM 453 CD LYS A 384 -6.522 -1.898 -7.281 1.00 0.00 C ATOM 454 CE LYS A 384 -5.920 -3.246 -7.037 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.964 -3.651 -8.104 1.00 0.00 N ATOM 0 H LYS A 384 -9.729 -1.201 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.614 -3.745 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.987 -2.372 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.723 -3.498 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.124 -0.719 -6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.921 -1.171 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.043 -1.894 -8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.734 -1.148 -7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.405 -3.241 -6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.716 -3.987 -6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.003 -4.682 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.220 -3.181 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -4.000 -3.373 -7.830 1.00 0.00 H new ATOM 469 N ASP A 385 -9.798 -5.438 -6.238 1.00 0.00 N ATOM 470 CA ASP A 385 -10.616 -6.529 -5.718 1.00 0.00 C ATOM 471 C ASP A 385 -10.609 -6.511 -4.196 1.00 0.00 C ATOM 472 O ASP A 385 -9.900 -5.715 -3.588 1.00 0.00 O ATOM 473 CB ASP A 385 -10.105 -7.878 -6.227 1.00 0.00 C ATOM 474 CG ASP A 385 -10.135 -7.982 -7.740 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.563 -7.007 -8.395 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.731 -9.038 -8.270 1.00 0.00 O ATOM 0 H ASP A 385 -8.866 -5.723 -6.539 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.638 -6.390 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.084 -8.031 -5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.712 -8.676 -5.800 1.00 0.00 H new ATOM 481 N GLN A 386 -11.394 -7.393 -3.584 1.00 0.00 N ATOM 482 CA GLN A 386 -11.467 -7.468 -2.126 1.00 0.00 C ATOM 483 C GLN A 386 -10.072 -7.519 -1.515 1.00 0.00 C ATOM 484 O GLN A 386 -9.703 -6.666 -0.708 1.00 0.00 O ATOM 485 CB GLN A 386 -12.267 -8.701 -1.698 1.00 0.00 C ATOM 486 CG GLN A 386 -12.326 -8.899 -0.192 1.00 0.00 C ATOM 487 CD GLN A 386 -13.114 -10.134 0.206 1.00 0.00 C ATOM 488 OE1 GLN A 386 -14.293 -10.266 -0.125 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.465 -11.044 0.923 1.00 0.00 N ATOM 0 H GLN A 386 -11.987 -8.064 -4.072 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.971 -6.571 -1.765 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -13.283 -8.616 -2.084 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.825 -9.586 -2.155 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.312 -8.978 0.200 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.778 -8.021 0.268 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -11.488 -10.893 1.175 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.943 -11.894 1.222 1.00 0.00 H new ATOM 498 N ASN A 387 -9.299 -8.519 -1.916 1.00 0.00 N ATOM 499 CA ASN A 387 -7.945 -8.686 -1.428 1.00 0.00 C ATOM 500 C ASN A 387 -7.056 -7.535 -1.888 1.00 0.00 C ATOM 501 O ASN A 387 -6.103 -7.161 -1.204 1.00 0.00 O ATOM 502 CB ASN A 387 -7.384 -10.016 -1.927 1.00 0.00 C ATOM 503 CG ASN A 387 -7.445 -10.141 -3.437 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.520 -10.080 -4.034 1.00 0.00 O ATOM 505 ND2 ASN A 387 -6.289 -10.321 -4.062 1.00 0.00 N ATOM 0 H ASN A 387 -9.594 -9.231 -2.584 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.963 -8.685 -0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -6.350 -10.117 -1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.943 -10.835 -1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.267 -10.415 -5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.422 -10.365 -3.527 1.00 0.00 H new ATOM 512 N GLU A 388 -7.375 -6.986 -3.056 1.00 0.00 N ATOM 513 CA GLU A 388 -6.608 -5.884 -3.623 1.00 0.00 C ATOM 514 C GLU A 388 -6.934 -4.557 -2.947 1.00 0.00 C ATOM 515 O GLU A 388 -6.149 -3.613 -3.027 1.00 0.00 O ATOM 516 CB GLU A 388 -6.852 -5.785 -5.127 1.00 0.00 C ATOM 517 CG GLU A 388 -6.334 -6.982 -5.907 1.00 0.00 C ATOM 518 CD GLU A 388 -6.477 -6.809 -7.406 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.618 -6.622 -7.877 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.447 -6.863 -8.110 1.00 0.00 O ATOM 0 H GLU A 388 -8.163 -7.288 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.553 -6.094 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.922 -5.680 -5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.375 -4.881 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.284 -7.143 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.875 -7.876 -5.595 1.00 0.00 H new ATOM 527 N CYS A 389 -8.086 -4.483 -2.279 1.00 0.00 N ATOM 528 CA CYS A 389 -8.475 -3.257 -1.596 1.00 0.00 C ATOM 529 C CYS A 389 -7.367 -2.864 -0.628 1.00 0.00 C ATOM 530 O CYS A 389 -7.223 -3.449 0.446 1.00 0.00 O ATOM 531 CB CYS A 389 -9.809 -3.447 -0.864 1.00 0.00 C ATOM 532 SG CYS A 389 -10.569 -1.898 -0.271 1.00 0.00 S ATOM 0 H CYS A 389 -8.755 -5.248 -2.199 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.616 -2.458 -2.323 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.509 -3.948 -1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.652 -4.110 -0.013 1.00 0.00 H new ATOM 537 N LYS A 390 -6.555 -1.901 -1.049 1.00 0.00 N ATOM 538 CA LYS A 390 -5.409 -1.453 -0.263 1.00 0.00 C ATOM 539 C LYS A 390 -5.812 -0.684 0.992 1.00 0.00 C ATOM 540 O LYS A 390 -6.964 -0.281 1.152 1.00 0.00 O ATOM 541 CB LYS A 390 -4.479 -0.623 -1.139 1.00 0.00 C ATOM 542 CG LYS A 390 -3.776 -1.438 -2.225 1.00 0.00 C ATOM 543 CD LYS A 390 -2.583 -2.224 -1.686 1.00 0.00 C ATOM 544 CE LYS A 390 -3.013 -3.453 -0.899 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.797 -4.403 -1.735 1.00 0.00 N ATOM 0 H LYS A 390 -6.670 -1.412 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.883 -2.342 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.052 0.176 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.727 -0.147 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.489 -2.129 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.438 -0.768 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.947 -2.531 -2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -1.983 -1.577 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.131 -3.959 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.612 -3.144 -0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -3.867 -5.319 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -4.751 -4.021 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.321 -4.534 -2.650 1.00 0.00 H new ATOM 559 N SER A 391 -4.843 -0.514 1.894 1.00 0.00 N ATOM 560 CA SER A 391 -5.061 0.170 3.159 1.00 0.00 C ATOM 561 C SER A 391 -5.699 1.546 2.966 1.00 0.00 C ATOM 562 O SER A 391 -6.775 1.797 3.508 1.00 0.00 O ATOM 563 CB SER A 391 -3.740 0.289 3.917 1.00 0.00 C ATOM 564 OG SER A 391 -3.203 -0.989 4.210 1.00 0.00 O ATOM 0 H SER A 391 -3.888 -0.848 1.763 1.00 0.00 H new ATOM 0 HA SER A 391 -5.761 -0.425 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.026 0.859 3.323 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.897 0.842 4.843 1.00 0.00 H new ATOM 0 HG SER A 391 -2.357 -0.885 4.694 1.00 0.00 H new ATOM 570 N PRO A 392 -5.074 2.459 2.186 1.00 0.00 N ATOM 571 CA PRO A 392 -5.633 3.787 1.946 1.00 0.00 C ATOM 572 C PRO A 392 -7.094 3.693 1.546 1.00 0.00 C ATOM 573 O PRO A 392 -7.903 4.561 1.875 1.00 0.00 O ATOM 574 CB PRO A 392 -4.785 4.337 0.787 1.00 0.00 C ATOM 575 CG PRO A 392 -3.976 3.189 0.293 1.00 0.00 C ATOM 576 CD PRO A 392 -3.803 2.293 1.472 1.00 0.00 C ATOM 0 HA PRO A 392 -5.603 4.423 2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.418 4.738 -0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.143 5.151 1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.483 2.673 -0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.012 3.523 -0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.637 1.258 1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.952 2.589 2.085 1.00 0.00 H new ATOM 584 N CYS A 393 -7.421 2.617 0.843 1.00 0.00 N ATOM 585 CA CYS A 393 -8.780 2.372 0.398 1.00 0.00 C ATOM 586 C CYS A 393 -9.674 2.021 1.578 1.00 0.00 C ATOM 587 O CYS A 393 -9.219 1.456 2.574 1.00 0.00 O ATOM 588 CB CYS A 393 -8.811 1.233 -0.614 1.00 0.00 C ATOM 589 SG CYS A 393 -7.596 1.399 -1.960 1.00 0.00 S ATOM 0 H CYS A 393 -6.754 1.896 0.568 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.150 3.283 -0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.632 0.293 -0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.810 1.173 -1.046 1.00 0.00 H new ATOM 594 N LYS A 394 -10.949 2.347 1.451 1.00 0.00 N ATOM 595 CA LYS A 394 -11.922 2.060 2.494 1.00 0.00 C ATOM 596 C LYS A 394 -12.776 0.869 2.092 1.00 0.00 C ATOM 597 O LYS A 394 -13.549 0.942 1.136 1.00 0.00 O ATOM 598 CB LYS A 394 -12.810 3.281 2.744 1.00 0.00 C ATOM 599 CG LYS A 394 -13.776 3.111 3.908 1.00 0.00 C ATOM 600 CD LYS A 394 -13.046 3.030 5.241 1.00 0.00 C ATOM 601 CE LYS A 394 -12.301 4.321 5.549 1.00 0.00 C ATOM 602 NZ LYS A 394 -11.584 4.253 6.852 1.00 0.00 N ATOM 0 H LYS A 394 -11.337 2.813 0.631 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.389 1.822 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.176 4.147 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.380 3.495 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.474 3.948 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.366 2.207 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.762 2.823 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.342 2.198 5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.586 4.526 4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.007 5.152 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -11.090 5.152 7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.268 4.083 7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -10.892 3.477 6.827 1.00 0.00 H new ATOM 616 N TRP A 395 -12.629 -0.230 2.819 1.00 0.00 N ATOM 617 CA TRP A 395 -13.387 -1.432 2.520 1.00 0.00 C ATOM 618 C TRP A 395 -14.834 -1.293 2.984 1.00 0.00 C ATOM 619 O TRP A 395 -15.101 -0.766 4.064 1.00 0.00 O ATOM 620 CB TRP A 395 -12.742 -2.656 3.170 1.00 0.00 C ATOM 621 CG TRP A 395 -13.376 -3.946 2.750 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.865 -4.923 3.568 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.587 -4.403 1.407 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.370 -5.957 2.818 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.210 -5.662 1.489 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.311 -3.869 0.142 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.562 -6.394 0.357 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.659 -4.599 -0.979 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.279 -5.848 -0.864 1.00 0.00 C ATOM 0 H TRP A 395 -11.996 -0.312 3.614 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.382 -1.569 1.439 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.682 -2.679 2.916 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.808 -2.562 4.254 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.856 -4.888 4.647 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.795 -6.806 3.190 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.835 -2.905 0.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.041 -7.358 0.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.449 -4.199 -1.960 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.540 -6.393 -1.759 1.00 0.00 H new ATOM 640 N HIS A 396 -15.761 -1.768 2.158 1.00 0.00 N ATOM 641 CA HIS A 396 -17.180 -1.698 2.480 1.00 0.00 C ATOM 642 C HIS A 396 -17.800 -3.090 2.521 1.00 0.00 C ATOM 643 O HIS A 396 -17.892 -3.773 1.498 1.00 0.00 O ATOM 644 CB HIS A 396 -17.913 -0.830 1.455 1.00 0.00 C ATOM 645 CG HIS A 396 -17.483 0.604 1.473 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.599 1.409 2.587 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.932 1.377 0.507 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.139 2.615 2.306 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.729 2.622 1.051 1.00 0.00 N ATOM 0 H HIS A 396 -15.554 -2.206 1.260 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.281 -1.248 3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.746 -1.239 0.458 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.985 -0.882 1.646 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -17.980 1.118 3.487 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.696 1.072 -0.502 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.104 3.453 2.987 1.00 0.00 H new ATOM 658 N ASN A 397 -18.228 -3.497 3.714 1.00 0.00 N ATOM 659 CA ASN A 397 -18.847 -4.802 3.913 1.00 0.00 C ATOM 660 C ASN A 397 -20.362 -4.715 3.755 1.00 0.00 C ATOM 661 O ASN A 397 -20.930 -3.623 3.745 1.00 0.00 O ATOM 662 CB ASN A 397 -18.495 -5.355 5.296 1.00 0.00 C ATOM 663 CG ASN A 397 -18.996 -4.466 6.418 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.610 -3.303 6.524 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.861 -5.014 7.263 1.00 0.00 N ATOM 0 H ASN A 397 -18.156 -2.936 4.563 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.459 -5.479 3.152 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.924 -6.351 5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.413 -5.463 5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.233 -4.466 8.039 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.153 -5.983 7.136 1.00 0.00 H new ATOM 672 N ASP A 398 -21.005 -5.872 3.629 1.00 0.00 N ATOM 673 CA ASP A 398 -22.454 -5.937 3.467 1.00 0.00 C ATOM 674 C ASP A 398 -22.883 -5.209 2.196 1.00 0.00 C ATOM 675 O ASP A 398 -24.042 -4.823 2.043 1.00 0.00 O ATOM 676 CB ASP A 398 -23.154 -5.336 4.691 1.00 0.00 C ATOM 677 CG ASP A 398 -24.663 -5.479 4.630 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.148 -6.626 4.552 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.359 -4.441 4.663 1.00 0.00 O ATOM 0 H ASP A 398 -20.543 -6.781 3.636 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.746 -6.983 3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.783 -5.823 5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.896 -4.280 4.770 1.00 0.00 H new ATOM 684 N ALA A 399 -21.937 -5.039 1.279 1.00 0.00 N ATOM 685 CA ALA A 399 -22.207 -4.376 0.012 1.00 0.00 C ATOM 686 C ALA A 399 -22.921 -5.325 -0.944 1.00 0.00 C ATOM 687 O ALA A 399 -22.792 -6.544 -0.827 1.00 0.00 O ATOM 688 CB ALA A 399 -20.913 -3.863 -0.608 1.00 0.00 C ATOM 0 H ALA A 399 -20.973 -5.353 1.392 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.859 -3.523 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.134 -3.370 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.442 -3.152 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.237 -4.700 -0.784 1.00 0.00 H new ATOM 694 N GLU A 400 -23.670 -4.764 -1.889 1.00 0.00 N ATOM 695 CA GLU A 400 -24.397 -5.565 -2.867 1.00 0.00 C ATOM 696 C GLU A 400 -23.462 -6.591 -3.494 1.00 0.00 C ATOM 697 O GLU A 400 -23.867 -7.704 -3.825 1.00 0.00 O ATOM 698 CB GLU A 400 -25.004 -4.656 -3.944 1.00 0.00 C ATOM 699 CG GLU A 400 -25.914 -5.374 -4.934 1.00 0.00 C ATOM 700 CD GLU A 400 -25.157 -6.272 -5.894 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.278 -5.761 -6.617 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.449 -7.487 -5.925 1.00 0.00 O ATOM 0 H GLU A 400 -23.789 -3.757 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.208 -6.094 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.572 -3.864 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.195 -4.176 -4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.641 -5.971 -4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.476 -4.634 -5.504 1.00 0.00 H new ATOM 709 N ASN A 401 -22.200 -6.202 -3.641 1.00 0.00 N ATOM 710 CA ASN A 401 -21.189 -7.075 -4.216 1.00 0.00 C ATOM 711 C ASN A 401 -19.797 -6.630 -3.782 1.00 0.00 C ATOM 712 O ASN A 401 -18.853 -6.644 -4.574 1.00 0.00 O ATOM 713 CB ASN A 401 -21.302 -7.074 -5.742 1.00 0.00 C ATOM 714 CG ASN A 401 -21.090 -5.702 -6.365 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.877 -4.682 -5.536 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.126 -5.557 -7.587 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.854 -5.282 -3.368 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.353 -8.090 -3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.569 -7.768 -6.153 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.287 -7.445 -6.026 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.292 -6.362 -8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.990 -4.632 -7.995 1.00 0.00 H new ATOM 723 N LYS A 402 -19.690 -6.232 -2.514 1.00 0.00 N ATOM 724 CA LYS A 402 -18.428 -5.769 -1.941 1.00 0.00 C ATOM 725 C LYS A 402 -17.974 -4.476 -2.612 1.00 0.00 C ATOM 726 O LYS A 402 -17.957 -4.375 -3.839 1.00 0.00 O ATOM 727 CB LYS A 402 -17.350 -6.849 -2.082 1.00 0.00 C ATOM 728 CG LYS A 402 -17.784 -8.214 -1.565 1.00 0.00 C ATOM 729 CD LYS A 402 -18.206 -8.153 -0.104 1.00 0.00 C ATOM 730 CE LYS A 402 -18.699 -9.504 0.389 1.00 0.00 C ATOM 731 NZ LYS A 402 -19.884 -9.978 -0.377 1.00 0.00 N ATOM 0 H LYS A 402 -20.472 -6.222 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.586 -5.569 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.073 -6.939 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.457 -6.532 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.613 -8.585 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.964 -8.924 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.364 -7.827 0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.994 -7.410 0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.896 -10.236 0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.955 -9.433 1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.341 -10.758 0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -20.560 -9.196 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.581 -10.312 -1.314 1.00 0.00 H new ATOM 745 N LYS A 403 -17.619 -3.478 -1.804 1.00 0.00 N ATOM 746 CA LYS A 403 -17.187 -2.194 -2.342 1.00 0.00 C ATOM 747 C LYS A 403 -15.874 -1.721 -1.722 1.00 0.00 C ATOM 748 O LYS A 403 -15.618 -1.939 -0.541 1.00 0.00 O ATOM 749 CB LYS A 403 -18.265 -1.133 -2.120 1.00 0.00 C ATOM 750 CG LYS A 403 -19.571 -1.429 -2.838 1.00 0.00 C ATOM 751 CD LYS A 403 -20.547 -0.268 -2.716 1.00 0.00 C ATOM 752 CE LYS A 403 -21.839 -0.544 -3.467 1.00 0.00 C ATOM 753 NZ LYS A 403 -22.790 0.598 -3.377 1.00 0.00 N ATOM 0 H LYS A 403 -17.622 -3.534 -0.786 1.00 0.00 H new ATOM 0 HA LYS A 403 -17.023 -2.337 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.460 -1.044 -1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.887 -0.168 -2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.372 -1.630 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.021 -2.330 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -20.768 -0.086 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.085 0.639 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.614 -0.747 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -22.309 -1.440 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -23.658 0.369 -3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -23.026 0.776 -2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.352 1.448 -3.786 1.00 0.00 H new ATOM 767 N CYS A 404 -15.060 -1.052 -2.533 1.00 0.00 N ATOM 768 CA CYS A 404 -13.780 -0.514 -2.083 1.00 0.00 C ATOM 769 C CYS A 404 -13.568 0.868 -2.693 1.00 0.00 C ATOM 770 O CYS A 404 -13.568 1.018 -3.914 1.00 0.00 O ATOM 771 CB CYS A 404 -12.629 -1.446 -2.486 1.00 0.00 C ATOM 772 SG CYS A 404 -10.975 -0.862 -1.979 1.00 0.00 S ATOM 0 H CYS A 404 -15.267 -0.868 -3.515 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.793 -0.436 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.804 -2.429 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.641 -1.571 -3.569 1.00 0.00 H new ATOM 777 N THR A 405 -13.398 1.875 -1.843 1.00 0.00 N ATOM 778 CA THR A 405 -13.198 3.241 -2.316 1.00 0.00 C ATOM 779 C THR A 405 -12.188 3.981 -1.449 1.00 0.00 C ATOM 780 O THR A 405 -12.269 3.953 -0.224 1.00 0.00 O ATOM 781 CB THR A 405 -14.518 4.034 -2.328 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.042 4.131 -0.998 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.545 3.366 -3.233 1.00 0.00 C ATOM 0 H THR A 405 -13.395 1.773 -0.828 1.00 0.00 H new ATOM 0 HA THR A 405 -12.817 3.166 -3.335 1.00 0.00 H new ATOM 0 HB THR A 405 -14.312 5.033 -2.713 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.582 3.338 -0.801 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.469 3.945 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.157 3.317 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.746 2.357 -2.873 1.00 0.00 H new ATOM 791 N LEU A 406 -11.238 4.641 -2.100 1.00 0.00 N ATOM 792 CA LEU A 406 -10.197 5.388 -1.408 1.00 0.00 C ATOM 793 C LEU A 406 -10.797 6.385 -0.427 1.00 0.00 C ATOM 794 O LEU A 406 -11.816 7.016 -0.704 1.00 0.00 O ATOM 795 CB LEU A 406 -9.317 6.105 -2.432 1.00 0.00 C ATOM 796 CG LEU A 406 -8.004 6.686 -1.908 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.249 7.936 -1.082 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.241 5.640 -1.110 1.00 0.00 C ATOM 0 H LEU A 406 -11.168 4.673 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.587 4.689 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.085 5.404 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -9.897 6.915 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.393 6.974 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.297 8.327 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -8.741 8.689 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -8.885 7.691 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.309 6.070 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.847 5.314 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.020 4.785 -1.749 1.00 0.00 H new ATOM 810 N ASP A 407 -10.143 6.520 0.719 1.00 0.00 N ATOM 811 CA ASP A 407 -10.589 7.441 1.758 1.00 0.00 C ATOM 812 C ASP A 407 -9.678 8.661 1.801 1.00 0.00 C ATOM 813 O ASP A 407 -8.463 8.530 1.928 1.00 0.00 O ATOM 814 CB ASP A 407 -10.604 6.742 3.119 1.00 0.00 C ATOM 815 CG ASP A 407 -11.190 7.613 4.213 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.354 8.043 4.070 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.490 7.858 5.218 1.00 0.00 O ATOM 0 H ASP A 407 -9.297 6.001 0.954 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.603 7.767 1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.182 5.821 3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.587 6.459 3.390 1.00 0.00 H new ATOM 822 N LYS A 408 -10.270 9.842 1.683 1.00 0.00 N ATOM 823 CA LYS A 408 -9.505 11.083 1.692 1.00 0.00 C ATOM 824 C LYS A 408 -8.828 11.320 3.039 1.00 0.00 C ATOM 825 O LYS A 408 -7.654 11.679 3.094 1.00 0.00 O ATOM 826 CB LYS A 408 -10.417 12.263 1.356 1.00 0.00 C ATOM 827 CG LYS A 408 -11.078 12.150 -0.009 1.00 0.00 C ATOM 828 CD LYS A 408 -10.051 12.141 -1.129 1.00 0.00 C ATOM 829 CE LYS A 408 -10.714 12.011 -2.490 1.00 0.00 C ATOM 830 NZ LYS A 408 -9.718 12.010 -3.596 1.00 0.00 N ATOM 0 H LYS A 408 -11.277 9.967 1.580 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.725 10.996 0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.190 12.343 2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.835 13.184 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.672 11.237 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.765 12.984 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.465 13.060 -1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.356 11.314 -0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.295 11.089 -2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.414 12.834 -2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -10.211 11.920 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -9.181 12.900 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -9.065 11.209 -3.475 1.00 0.00 H new ATOM 844 N GLU A 409 -9.580 11.134 4.119 1.00 0.00 N ATOM 845 CA GLU A 409 -9.063 11.346 5.467 1.00 0.00 C ATOM 846 C GLU A 409 -7.881 10.428 5.782 1.00 0.00 C ATOM 847 O GLU A 409 -6.881 10.864 6.354 1.00 0.00 O ATOM 848 CB GLU A 409 -10.179 11.128 6.490 1.00 0.00 C ATOM 849 CG GLU A 409 -9.741 11.357 7.925 1.00 0.00 C ATOM 850 CD GLU A 409 -10.864 11.141 8.920 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.882 11.858 8.830 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.723 10.257 9.790 1.00 0.00 O ATOM 0 H GLU A 409 -10.555 10.835 4.086 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.703 12.373 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.007 11.799 6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.556 10.110 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.917 10.684 8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.361 12.374 8.027 1.00 0.00 H new ATOM 859 N GLU A 410 -8.002 9.156 5.429 1.00 0.00 N ATOM 860 CA GLU A 410 -6.940 8.195 5.701 1.00 0.00 C ATOM 861 C GLU A 410 -5.755 8.396 4.764 1.00 0.00 C ATOM 862 O GLU A 410 -4.608 8.412 5.203 1.00 0.00 O ATOM 863 CB GLU A 410 -7.467 6.764 5.590 1.00 0.00 C ATOM 864 CG GLU A 410 -6.470 5.719 6.064 1.00 0.00 C ATOM 865 CD GLU A 410 -7.039 4.315 6.044 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.079 4.086 6.697 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.440 3.442 5.384 1.00 0.00 O ATOM 0 H GLU A 410 -8.818 8.767 4.957 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.595 8.364 6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.382 6.675 6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.731 6.561 4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -5.583 5.756 5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.149 5.962 7.077 1.00 0.00 H new ATOM 874 N ALA A 411 -6.038 8.545 3.473 1.00 0.00 N ATOM 875 CA ALA A 411 -4.983 8.742 2.482 1.00 0.00 C ATOM 876 C ALA A 411 -4.104 9.936 2.831 1.00 0.00 C ATOM 877 O ALA A 411 -2.878 9.853 2.758 1.00 0.00 O ATOM 878 CB ALA A 411 -5.586 8.921 1.097 1.00 0.00 C ATOM 0 H ALA A 411 -6.983 8.533 3.090 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.354 7.852 2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.788 9.067 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.161 8.033 0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.242 9.791 1.096 1.00 0.00 H new ATOM 884 N LYS A 412 -4.731 11.044 3.211 1.00 0.00 N ATOM 885 CA LYS A 412 -3.990 12.247 3.569 1.00 0.00 C ATOM 886 C LYS A 412 -3.108 11.999 4.788 1.00 0.00 C ATOM 887 O LYS A 412 -1.946 12.396 4.809 1.00 0.00 O ATOM 888 CB LYS A 412 -4.949 13.409 3.837 1.00 0.00 C ATOM 889 CG LYS A 412 -5.932 13.140 4.964 1.00 0.00 C ATOM 890 CD LYS A 412 -6.862 14.319 5.206 1.00 0.00 C ATOM 891 CE LYS A 412 -7.680 14.658 3.969 1.00 0.00 C ATOM 892 NZ LYS A 412 -8.590 15.812 4.208 1.00 0.00 N ATOM 0 H LYS A 412 -5.745 11.134 3.279 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.348 12.511 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.369 14.300 4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.505 13.627 2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.523 12.256 4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.382 12.919 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.533 14.088 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.276 15.189 5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.009 14.889 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -8.266 13.789 3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -9.131 16.013 3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -9.247 15.582 4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.029 16.648 4.468 1.00 0.00 H new ATOM 906 N LYS A 413 -3.663 11.341 5.803 1.00 0.00 N ATOM 907 CA LYS A 413 -2.910 11.050 7.019 1.00 0.00 C ATOM 908 C LYS A 413 -1.713 10.145 6.732 1.00 0.00 C ATOM 909 O LYS A 413 -0.614 10.388 7.227 1.00 0.00 O ATOM 910 CB LYS A 413 -3.811 10.399 8.070 1.00 0.00 C ATOM 911 CG LYS A 413 -4.881 11.330 8.617 1.00 0.00 C ATOM 912 CD LYS A 413 -5.704 10.661 9.709 1.00 0.00 C ATOM 913 CE LYS A 413 -4.839 10.252 10.892 1.00 0.00 C ATOM 914 NZ LYS A 413 -4.119 11.414 11.485 1.00 0.00 N ATOM 0 H LYS A 413 -4.625 11.001 5.808 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.538 11.998 7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.292 9.524 7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.194 10.044 8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -4.412 12.230 9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -5.539 11.645 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -6.484 11.343 10.047 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -6.204 9.782 9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -5.464 9.785 11.654 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -4.115 9.503 10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -3.707 11.138 12.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -3.361 11.718 10.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -4.786 12.199 11.629 1.00 0.00 H new ATOM 928 N VAL A 414 -1.935 9.099 5.940 1.00 0.00 N ATOM 929 CA VAL A 414 -0.875 8.154 5.600 1.00 0.00 C ATOM 930 C VAL A 414 0.273 8.831 4.855 1.00 0.00 C ATOM 931 O VAL A 414 1.442 8.617 5.171 1.00 0.00 O ATOM 932 CB VAL A 414 -1.414 6.991 4.745 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.288 6.047 4.347 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.504 6.239 5.493 1.00 0.00 C ATOM 0 H VAL A 414 -2.840 8.884 5.521 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.497 7.762 6.545 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.846 7.408 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.691 5.233 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.457 6.593 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 414 0.178 5.638 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.873 5.421 4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.097 5.837 6.421 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.324 6.919 5.721 1.00 0.00 H new ATOM 944 N ALA A 415 -0.067 9.640 3.858 1.00 0.00 N ATOM 945 CA ALA A 415 0.939 10.338 3.064 1.00 0.00 C ATOM 946 C ALA A 415 1.636 11.428 3.876 1.00 0.00 C ATOM 947 O ALA A 415 2.839 11.646 3.733 1.00 0.00 O ATOM 948 CB ALA A 415 0.306 10.932 1.815 1.00 0.00 C ATOM 0 H ALA A 415 -1.030 9.829 3.580 1.00 0.00 H new ATOM 0 HA ALA A 415 1.694 9.610 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.068 11.450 1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.131 10.134 1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.473 11.638 2.103 1.00 0.00 H new ATOM 954 N ASP A 416 0.870 12.116 4.716 1.00 0.00 N ATOM 955 CA ASP A 416 1.408 13.194 5.543 1.00 0.00 C ATOM 956 C ASP A 416 2.085 12.661 6.802 1.00 0.00 C ATOM 957 O ASP A 416 1.980 13.257 7.874 1.00 0.00 O ATOM 958 CB ASP A 416 0.301 14.175 5.922 1.00 0.00 C ATOM 959 CG ASP A 416 -0.200 14.971 4.732 1.00 0.00 C ATOM 960 OD1 ASP A 416 -0.644 14.348 3.744 1.00 0.00 O ATOM 961 OD2 ASP A 416 -0.150 16.218 4.788 1.00 0.00 O ATOM 0 H ASP A 416 -0.128 11.947 4.843 1.00 0.00 H new ATOM 0 HA ASP A 416 2.164 13.711 4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.531 13.627 6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.672 14.861 6.684 1.00 0.00 H new ATOM 966 N GLU A 417 2.788 11.545 6.664 1.00 0.00 N ATOM 967 CA GLU A 417 3.494 10.944 7.792 1.00 0.00 C ATOM 968 C GLU A 417 4.576 9.979 7.314 1.00 0.00 C ATOM 969 O GLU A 417 5.698 9.992 7.821 1.00 0.00 O ATOM 970 CB GLU A 417 2.515 10.219 8.719 1.00 0.00 C ATOM 971 CG GLU A 417 1.841 9.012 8.087 1.00 0.00 C ATOM 972 CD GLU A 417 0.913 8.294 9.047 1.00 0.00 C ATOM 973 OE1 GLU A 417 1.398 7.821 10.097 1.00 0.00 O ATOM 974 OE2 GLU A 417 -0.296 8.207 8.752 1.00 0.00 O ATOM 0 H GLU A 417 2.886 11.037 5.785 1.00 0.00 H new ATOM 0 HA GLU A 417 3.974 11.749 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 417 3.049 9.897 9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 417 1.748 10.923 9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.275 9.333 7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 417 2.604 8.317 7.736 1.00 0.00 H new ATOM 981 N THR A 418 4.235 9.144 6.337 1.00 0.00 N ATOM 982 CA THR A 418 5.180 8.176 5.793 1.00 0.00 C ATOM 983 C THR A 418 6.091 8.822 4.751 1.00 0.00 C ATOM 984 O THR A 418 6.324 8.257 3.681 1.00 0.00 O ATOM 985 CB THR A 418 4.453 6.976 5.158 1.00 0.00 C ATOM 986 OG1 THR A 418 3.610 7.420 4.088 1.00 0.00 O ATOM 987 CG2 THR A 418 3.616 6.241 6.195 1.00 0.00 C ATOM 0 H THR A 418 3.311 9.119 5.906 1.00 0.00 H new ATOM 0 HA THR A 418 5.785 7.820 6.627 1.00 0.00 H new ATOM 0 HB THR A 418 5.205 6.292 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 418 2.807 7.843 4.458 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.112 5.397 5.724 1.00 0.00 H new ATOM 0 HG22 THR A 418 4.263 5.877 6.993 1.00 0.00 H new ATOM 0 HG23 THR A 418 2.873 6.921 6.612 1.00 0.00 H new ATOM 995 N ALA A 419 6.602 10.010 5.071 1.00 0.00 N ATOM 996 CA ALA A 419 7.486 10.734 4.163 1.00 0.00 C ATOM 997 C ALA A 419 8.062 11.981 4.829 1.00 0.00 C ATOM 998 O ALA A 419 9.267 12.226 4.769 1.00 0.00 O ATOM 999 CB ALA A 419 6.740 11.114 2.892 1.00 0.00 C ATOM 0 H ALA A 419 6.418 10.490 5.952 1.00 0.00 H new ATOM 0 HA ALA A 419 8.315 10.075 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 419 7.411 11.653 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 419 6.382 10.211 2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 419 5.891 11.750 3.144 1.00 0.00 H new ATOM 1005 N LYS A 420 7.191 12.764 5.463 1.00 0.00 N ATOM 1006 CA LYS A 420 7.609 13.988 6.143 1.00 0.00 C ATOM 1007 C LYS A 420 8.329 14.931 5.181 1.00 0.00 C ATOM 1008 O LYS A 420 9.373 15.495 5.513 1.00 0.00 O ATOM 1009 CB LYS A 420 8.516 13.657 7.331 1.00 0.00 C ATOM 1010 CG LYS A 420 7.849 12.778 8.378 1.00 0.00 C ATOM 1011 CD LYS A 420 8.799 12.440 9.516 1.00 0.00 C ATOM 1012 CE LYS A 420 9.987 11.624 9.031 1.00 0.00 C ATOM 1013 NZ LYS A 420 10.917 11.280 10.142 1.00 0.00 N ATOM 0 H LYS A 420 6.191 12.572 5.520 1.00 0.00 H new ATOM 0 HA LYS A 420 6.714 14.490 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 420 9.412 13.156 6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 420 8.839 14.586 7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.971 13.288 8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 420 7.499 11.858 7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 420 9.154 13.360 9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 420 8.263 11.882 10.284 1.00 0.00 H new ATOM 0 HE2 LYS A 420 9.630 10.708 8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 420 10.526 12.186 8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 11.713 10.724 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 11.278 12.154 10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 10.410 10.722 10.859 1.00 0.00 H new ATOM 1027 N ASP A 421 7.762 15.096 3.989 1.00 0.00 N ATOM 1028 CA ASP A 421 8.342 15.968 2.972 1.00 0.00 C ATOM 1029 C ASP A 421 7.397 16.098 1.779 1.00 0.00 C ATOM 1030 O ASP A 421 7.772 15.819 0.639 1.00 0.00 O ATOM 1031 CB ASP A 421 9.700 15.427 2.513 1.00 0.00 C ATOM 1032 CG ASP A 421 10.391 16.349 1.527 1.00 0.00 C ATOM 1033 OD1 ASP A 421 10.659 17.514 1.892 1.00 0.00 O ATOM 1034 OD2 ASP A 421 10.663 15.908 0.392 1.00 0.00 O ATOM 0 H ASP A 421 6.898 14.635 3.703 1.00 0.00 H new ATOM 0 HA ASP A 421 8.490 16.955 3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 421 10.342 15.283 3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 421 9.561 14.448 2.054 1.00 0.00 H new ATOM 1039 N GLY A 422 6.164 16.511 2.058 1.00 0.00 N ATOM 1040 CA GLY A 422 5.171 16.663 1.008 1.00 0.00 C ATOM 1041 C GLY A 422 5.507 17.771 0.027 1.00 0.00 C ATOM 1042 O GLY A 422 6.649 17.898 -0.414 1.00 0.00 O ATOM 0 H GLY A 422 5.834 16.744 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 422 5.077 15.722 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 422 4.201 16.868 1.461 1.00 0.00 H new ATOM 1046 N LYS A 423 4.503 18.571 -0.319 1.00 0.00 N ATOM 1047 CA LYS A 423 4.686 19.672 -1.259 1.00 0.00 C ATOM 1048 C LYS A 423 5.658 20.711 -0.710 1.00 0.00 C ATOM 1049 O LYS A 423 5.586 21.090 0.458 1.00 0.00 O ATOM 1050 CB LYS A 423 3.339 20.329 -1.572 1.00 0.00 C ATOM 1051 CG LYS A 423 2.319 19.378 -2.181 1.00 0.00 C ATOM 1052 CD LYS A 423 2.812 18.784 -3.494 1.00 0.00 C ATOM 1053 CE LYS A 423 3.023 19.856 -4.552 1.00 0.00 C ATOM 1054 NZ LYS A 423 3.498 19.281 -5.841 1.00 0.00 N ATOM 0 H LYS A 423 3.552 18.477 0.038 1.00 0.00 H new ATOM 0 HA LYS A 423 5.108 19.263 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 423 2.928 20.749 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 423 3.501 21.161 -2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 423 2.105 18.574 -1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 423 1.383 19.910 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 423 3.748 18.251 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 423 2.090 18.052 -3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 423 2.088 20.392 -4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 423 3.749 20.584 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 3.629 20.045 -6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 4.403 18.791 -5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 2.794 18.605 -6.200 1.00 0.00 H new ATOM 1068 N THR A 424 6.568 21.168 -1.567 1.00 0.00 N ATOM 1069 CA THR A 424 7.559 22.165 -1.178 1.00 0.00 C ATOM 1070 C THR A 424 6.902 23.505 -0.860 1.00 0.00 C ATOM 1071 O THR A 424 5.928 23.898 -1.504 1.00 0.00 O ATOM 1072 CB THR A 424 8.611 22.375 -2.285 1.00 0.00 C ATOM 1073 OG1 THR A 424 9.566 23.361 -1.876 1.00 0.00 O ATOM 1074 CG2 THR A 424 7.952 22.812 -3.585 1.00 0.00 C ATOM 0 H THR A 424 6.639 20.862 -2.537 1.00 0.00 H new ATOM 0 HA THR A 424 8.052 21.784 -0.283 1.00 0.00 H new ATOM 0 HB THR A 424 9.119 21.425 -2.454 1.00 0.00 H new ATOM 0 HG1 THR A 424 10.231 23.486 -2.585 1.00 0.00 H new ATOM 0 HG21 THR A 424 8.715 22.954 -4.350 1.00 0.00 H new ATOM 0 HG22 THR A 424 7.248 22.046 -3.912 1.00 0.00 H new ATOM 0 HG23 THR A 424 7.420 23.750 -3.426 1.00 0.00 H new ATOM 1082 N GLY A 425 7.444 24.203 0.133 1.00 0.00 N ATOM 1083 CA GLY A 425 6.902 25.493 0.516 1.00 0.00 C ATOM 1084 C GLY A 425 7.783 26.218 1.514 1.00 0.00 C ATOM 1085 O GLY A 425 8.169 27.367 1.290 1.00 0.00 O ATOM 0 H GLY A 425 8.249 23.898 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 425 6.781 26.111 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 425 5.910 25.354 0.945 1.00 0.00 H new ATOM 1089 N ASN A 426 8.107 25.544 2.614 1.00 0.00 N ATOM 1090 CA ASN A 426 8.953 26.127 3.650 1.00 0.00 C ATOM 1091 C ASN A 426 9.330 25.090 4.706 1.00 0.00 C ATOM 1092 O ASN A 426 8.482 24.342 5.191 1.00 0.00 O ATOM 1093 CB ASN A 426 8.258 27.326 4.309 1.00 0.00 C ATOM 1094 CG ASN A 426 6.879 27.003 4.871 1.00 0.00 C ATOM 1095 OD1 ASN A 426 6.412 25.774 4.671 1.00 0.00 O flip ATOM 1096 ND2 ASN A 426 6.235 27.860 5.476 1.00 0.00 N flip ATOM 0 H ASN A 426 7.796 24.593 2.811 1.00 0.00 H new ATOM 0 HA ASN A 426 9.869 26.473 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 426 8.889 27.703 5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 426 8.163 28.127 3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 426 6.627 28.792 5.610 1.00 0.00 H new ATOM 0 HD22 ASN A 426 5.310 27.638 5.844 1.00 0.00 H new ATOM 1103 N THR A 427 10.612 25.053 5.057 1.00 0.00 N ATOM 1104 CA THR A 427 11.102 24.112 6.057 1.00 0.00 C ATOM 1105 C THR A 427 10.609 24.490 7.450 1.00 0.00 C ATOM 1106 O THR A 427 10.081 23.652 8.178 1.00 0.00 O ATOM 1107 CB THR A 427 12.643 24.052 6.064 1.00 0.00 C ATOM 1108 OG1 THR A 427 13.124 23.677 4.769 1.00 0.00 O ATOM 1109 CG2 THR A 427 13.147 23.059 7.100 1.00 0.00 C ATOM 0 H THR A 427 11.329 25.663 4.664 1.00 0.00 H new ATOM 0 HA THR A 427 10.711 23.130 5.790 1.00 0.00 H new ATOM 0 HB THR A 427 13.018 25.042 6.322 1.00 0.00 H new ATOM 0 HG1 THR A 427 14.103 23.643 4.781 1.00 0.00 H new ATOM 0 HG21 THR A 427 14.237 23.037 7.083 1.00 0.00 H new ATOM 0 HG22 THR A 427 12.805 23.361 8.090 1.00 0.00 H new ATOM 0 HG23 THR A 427 12.761 22.066 6.870 1.00 0.00 H new ATOM 1117 N ASN A 428 10.784 25.764 7.801 1.00 0.00 N ATOM 1118 CA ASN A 428 10.365 26.292 9.096 1.00 0.00 C ATOM 1119 C ASN A 428 10.669 27.783 9.191 1.00 0.00 C ATOM 1120 O ASN A 428 9.831 28.571 9.630 1.00 0.00 O ATOM 1121 CB ASN A 428 11.057 25.548 10.243 1.00 0.00 C ATOM 1122 CG ASN A 428 10.209 24.433 10.836 1.00 0.00 C ATOM 1123 OD1 ASN A 428 8.957 24.328 10.397 1.00 0.00 O flip ATOM 1124 ND2 ASN A 428 10.670 23.681 11.695 1.00 0.00 N flip ATOM 0 H ASN A 428 11.221 26.458 7.194 1.00 0.00 H new ATOM 0 HA ASN A 428 9.289 26.142 9.183 1.00 0.00 H new ATOM 0 HB2 ASN A 428 11.995 25.128 9.880 1.00 0.00 H new ATOM 0 HB3 ASN A 428 11.309 26.260 11.029 1.00 0.00 H new ATOM 0 HD21 ASN A 428 11.635 23.793 12.006 1.00 0.00 H new ATOM 0 HD22 ASN A 428 10.087 22.946 12.096 1.00 0.00 H new ATOM 1131 N THR A 429 11.874 28.162 8.776 1.00 0.00 N ATOM 1132 CA THR A 429 12.296 29.558 8.811 1.00 0.00 C ATOM 1133 C THR A 429 11.411 30.422 7.919 1.00 0.00 C ATOM 1134 O THR A 429 11.071 30.027 6.804 1.00 0.00 O ATOM 1135 CB THR A 429 13.761 29.712 8.364 1.00 0.00 C ATOM 1136 OG1 THR A 429 13.920 29.216 7.029 1.00 0.00 O ATOM 1137 CG2 THR A 429 14.695 28.965 9.303 1.00 0.00 C ATOM 0 H THR A 429 12.577 27.520 8.411 1.00 0.00 H new ATOM 0 HA THR A 429 12.202 29.892 9.844 1.00 0.00 H new ATOM 0 HB THR A 429 14.017 30.771 8.391 1.00 0.00 H new ATOM 0 HG1 THR A 429 14.854 29.319 6.751 1.00 0.00 H new ATOM 0 HG21 THR A 429 15.724 29.089 8.967 1.00 0.00 H new ATOM 0 HG22 THR A 429 14.593 29.365 10.312 1.00 0.00 H new ATOM 0 HG23 THR A 429 14.439 27.906 9.305 1.00 0.00 H new ATOM 1145 N THR A 430 11.047 31.602 8.427 1.00 0.00 N ATOM 1146 CA THR A 430 10.201 32.547 7.697 1.00 0.00 C ATOM 1147 C THR A 430 8.741 32.097 7.678 1.00 0.00 C ATOM 1148 O THR A 430 7.835 32.907 7.873 1.00 0.00 O ATOM 1149 CB THR A 430 10.685 32.757 6.248 1.00 0.00 C ATOM 1150 OG1 THR A 430 12.046 33.207 6.247 1.00 0.00 O ATOM 1151 CG2 THR A 430 9.811 33.774 5.526 1.00 0.00 C ATOM 0 H THR A 430 11.329 31.927 9.352 1.00 0.00 H new ATOM 0 HA THR A 430 10.276 33.494 8.231 1.00 0.00 H new ATOM 0 HB THR A 430 10.615 31.804 5.724 1.00 0.00 H new ATOM 0 HG1 THR A 430 12.347 33.337 5.323 1.00 0.00 H new ATOM 0 HG21 THR A 430 10.172 33.905 4.506 1.00 0.00 H new ATOM 0 HG22 THR A 430 8.781 33.418 5.503 1.00 0.00 H new ATOM 0 HG23 THR A 430 9.853 34.728 6.051 1.00 0.00 H new ATOM 1159 N GLY A 431 8.515 30.807 7.446 1.00 0.00 N ATOM 1160 CA GLY A 431 7.163 30.284 7.411 1.00 0.00 C ATOM 1161 C GLY A 431 6.529 30.246 8.786 1.00 0.00 C ATOM 1162 O GLY A 431 6.665 31.190 9.565 1.00 0.00 O ATOM 0 H GLY A 431 9.246 30.115 7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 431 6.554 30.900 6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 431 7.175 29.279 6.990 1.00 0.00 H new ATOM 1166 N SER A 432 5.840 29.152 9.089 1.00 0.00 N ATOM 1167 CA SER A 432 5.191 29.001 10.384 1.00 0.00 C ATOM 1168 C SER A 432 6.226 28.808 11.487 1.00 0.00 C ATOM 1169 O SER A 432 6.888 27.771 11.556 1.00 0.00 O ATOM 1170 CB SER A 432 4.227 27.815 10.361 1.00 0.00 C ATOM 1171 OG SER A 432 3.238 27.979 9.359 1.00 0.00 O ATOM 0 H SER A 432 5.717 28.360 8.458 1.00 0.00 H new ATOM 0 HA SER A 432 4.628 29.911 10.590 1.00 0.00 H new ATOM 0 HB2 SER A 432 4.782 26.895 10.181 1.00 0.00 H new ATOM 0 HB3 SER A 432 3.748 27.713 11.335 1.00 0.00 H new ATOM 0 HG SER A 432 2.636 27.206 9.364 1.00 0.00 H new ATOM 1177 N SER A 433 6.358 29.813 12.348 1.00 0.00 N ATOM 1178 CA SER A 433 7.309 29.761 13.454 1.00 0.00 C ATOM 1179 C SER A 433 8.720 29.469 12.952 1.00 0.00 C ATOM 1180 O SER A 433 9.155 28.302 13.053 1.00 0.00 O ATOM 1181 CB SER A 433 6.883 28.701 14.473 1.00 0.00 C ATOM 1182 OG SER A 433 5.608 28.997 15.015 1.00 0.00 O ATOM 1183 OXT SER A 433 9.379 30.410 12.462 1.00 0.00 O ATOM 0 H SER A 433 5.816 30.676 12.301 1.00 0.00 H new ATOM 0 HA SER A 433 7.315 30.737 13.939 1.00 0.00 H new ATOM 0 HB2 SER A 433 6.860 27.722 13.995 1.00 0.00 H new ATOM 0 HB3 SER A 433 7.619 28.647 15.275 1.00 0.00 H new ATOM 0 HG SER A 433 5.358 28.304 15.662 1.00 0.00 H new TER 1189 SER A 433