USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=24 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 429 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 430 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 396 HIS : no HD1:sc= 0.182 K(o=0.35,f=-1.3) USER MOD Set 2.2: A 405 THR OG1 : rot 180:sc= 0.168 USER MOD Set 3.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 380 SER OG : rot -33:sc= -1.02! USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.0051) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot 180:sc= -0.0461 USER MOD Single : A 363 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 LYS NZ :NH3+ -103:sc= -2.53 (180deg=-3.69!) USER MOD Single : A 365 HIS : no HD1:sc= -0.375 X(o=-0.37,f=-0.015) USER MOD Single : A 366 LYS NZ :NH3+ -164:sc= -0.0326 (180deg=-0.302) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 372 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.033) USER MOD Single : A 373 GLN : amide:sc= -1.39 K(o=-1.4,f=-4!) USER MOD Single : A 382 ASN :FLIP amide:sc= -3.06! C(o=-7.8!,f=-3.1!) USER MOD Single : A 383 LYS NZ :NH3+ 164:sc= -0.0501 (180deg=-0.303) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ -172:sc= 1.17 (180deg=0.937) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 169:sc=-0.00891 (180deg=-0.141) USER MOD Single : A 397 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.4!) USER MOD Single : A 401 ASN : amide:sc= -0.825 K(o=-0.82,f=-7.1!) USER MOD Single : A 402 LYS NZ :NH3+ 162:sc= -0.0589 (180deg=-0.413) USER MOD Single : A 403 LYS NZ :NH3+ 168:sc= -0.0257 (180deg=-0.229) 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+ 140:sc= 0.198 (180deg=0) USER MOD Single : A 418 THR OG1 : rot -75:sc= 0.0589 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ -150:sc= -3.52! (180deg=-5.5!) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -1.81! C(o=-1.8!,f=-2.1!) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= -0.356 K(o=-0.36,f=-2.4!) 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 -5.067 -20.303 2.528 1.00 0.00 N ATOM 2 CA GLY A 354 -3.610 -20.548 2.701 1.00 0.00 C ATOM 3 C GLY A 354 -2.783 -19.294 2.494 1.00 0.00 C ATOM 4 O GLY A 354 -3.011 -18.541 1.546 1.00 0.00 O ATOM 0 HA2 GLY A 354 -3.427 -20.939 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 354 -3.287 -21.313 1.995 1.00 0.00 H new ATOM 10 N SER A 355 -1.821 -19.067 3.384 1.00 0.00 N ATOM 11 CA SER A 355 -0.959 -17.895 3.297 1.00 0.00 C ATOM 12 C SER A 355 -0.180 -17.889 1.986 1.00 0.00 C ATOM 13 O SER A 355 0.377 -18.910 1.580 1.00 0.00 O ATOM 14 CB SER A 355 0.012 -17.859 4.478 1.00 0.00 C ATOM 15 OG SER A 355 0.840 -19.009 4.493 1.00 0.00 O ATOM 0 H SER A 355 -1.620 -19.680 4.174 1.00 0.00 H new ATOM 0 HA SER A 355 -1.592 -17.008 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 355 0.630 -16.963 4.418 1.00 0.00 H new ATOM 0 HB3 SER A 355 -0.548 -17.798 5.411 1.00 0.00 H new ATOM 0 HG SER A 355 1.453 -18.961 5.256 1.00 0.00 H new ATOM 21 N HIS A 356 -0.144 -16.734 1.329 1.00 0.00 N ATOM 22 CA HIS A 356 0.570 -16.598 0.065 1.00 0.00 C ATOM 23 C HIS A 356 2.067 -16.814 0.265 1.00 0.00 C ATOM 24 O HIS A 356 2.675 -16.215 1.154 1.00 0.00 O ATOM 25 CB HIS A 356 0.325 -15.211 -0.539 1.00 0.00 C ATOM 26 CG HIS A 356 -1.118 -14.911 -0.820 1.00 0.00 C ATOM 27 ND1 HIS A 356 -1.546 -13.699 -1.318 1.00 0.00 N ATOM 28 CD2 HIS A 356 -2.232 -15.669 -0.673 1.00 0.00 C ATOM 29 CE1 HIS A 356 -2.859 -13.724 -1.467 1.00 0.00 C ATOM 30 NE2 HIS A 356 -3.298 -14.908 -1.083 1.00 0.00 N ATOM 0 H HIS A 356 -0.600 -15.880 1.651 1.00 0.00 H new ATOM 0 HA HIS A 356 0.194 -17.358 -0.620 1.00 0.00 H new ATOM 0 HB2 HIS A 356 0.716 -14.456 0.143 1.00 0.00 H new ATOM 0 HB3 HIS A 356 0.890 -15.126 -1.467 1.00 0.00 H new ATOM 0 HD2 HIS A 356 -2.273 -16.683 -0.302 1.00 0.00 H new ATOM 0 HE1 HIS A 356 -3.469 -12.914 -1.839 1.00 0.00 H new ATOM 0 HE2 HIS A 356 -4.273 -15.209 -1.090 1.00 0.00 H new ATOM 39 N MET A 357 2.658 -17.668 -0.565 1.00 0.00 N ATOM 40 CA MET A 357 4.085 -17.953 -0.474 1.00 0.00 C ATOM 41 C MET A 357 4.905 -16.721 -0.834 1.00 0.00 C ATOM 42 O MET A 357 5.817 -16.331 -0.103 1.00 0.00 O ATOM 43 CB MET A 357 4.458 -19.117 -1.393 1.00 0.00 C ATOM 44 CG MET A 357 3.844 -20.444 -0.975 1.00 0.00 C ATOM 45 SD MET A 357 4.347 -20.945 0.683 1.00 0.00 S ATOM 46 CE MET A 357 3.495 -22.513 0.839 1.00 0.00 C ATOM 0 H MET A 357 2.172 -18.173 -1.306 1.00 0.00 H new ATOM 0 HA MET A 357 4.310 -18.231 0.556 1.00 0.00 H new ATOM 0 HB2 MET A 357 4.140 -18.883 -2.409 1.00 0.00 H new ATOM 0 HB3 MET A 357 5.543 -19.219 -1.414 1.00 0.00 H new ATOM 0 HG2 MET A 357 2.757 -20.366 -1.014 1.00 0.00 H new ATOM 0 HG3 MET A 357 4.134 -21.216 -1.688 1.00 0.00 H new ATOM 0 HE1 MET A 357 3.709 -22.948 1.815 1.00 0.00 H new ATOM 0 HE2 MET A 357 2.421 -22.355 0.739 1.00 0.00 H new ATOM 0 HE3 MET A 357 3.836 -23.192 0.057 1.00 0.00 H new ATOM 56 N LEU A 358 4.570 -16.107 -1.962 1.00 0.00 N ATOM 57 CA LEU A 358 5.269 -14.913 -2.421 1.00 0.00 C ATOM 58 C LEU A 358 4.867 -13.700 -1.581 1.00 0.00 C ATOM 59 O LEU A 358 4.662 -13.815 -0.372 1.00 0.00 O ATOM 60 CB LEU A 358 4.966 -14.659 -3.902 1.00 0.00 C ATOM 61 CG LEU A 358 5.366 -15.789 -4.855 1.00 0.00 C ATOM 62 CD1 LEU A 358 4.995 -15.430 -6.286 1.00 0.00 C ATOM 63 CD2 LEU A 358 6.855 -16.080 -4.748 1.00 0.00 C ATOM 0 H LEU A 358 3.817 -16.417 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 358 6.341 -15.072 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 358 3.897 -14.475 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 358 5.479 -13.748 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 358 4.821 -16.689 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 358 5.285 -16.243 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 358 3.919 -15.272 -6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 358 5.515 -14.518 -6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 358 7.118 -16.886 -5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 358 7.420 -15.185 -5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 358 7.095 -16.378 -3.727 1.00 0.00 H new ATOM 75 N GLU A 359 4.749 -12.540 -2.227 1.00 0.00 N ATOM 76 CA GLU A 359 4.368 -11.312 -1.539 1.00 0.00 C ATOM 77 C GLU A 359 4.196 -10.166 -2.535 1.00 0.00 C ATOM 78 O GLU A 359 3.837 -10.389 -3.691 1.00 0.00 O ATOM 79 CB GLU A 359 5.423 -10.944 -0.491 1.00 0.00 C ATOM 80 CG GLU A 359 6.811 -10.742 -1.076 1.00 0.00 C ATOM 81 CD GLU A 359 7.845 -10.380 -0.026 1.00 0.00 C ATOM 82 OE1 GLU A 359 7.479 -10.299 1.166 1.00 0.00 O ATOM 83 OE2 GLU A 359 9.020 -10.178 -0.396 1.00 0.00 O ATOM 0 H GLU A 359 4.913 -12.428 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 359 3.414 -11.481 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 359 5.115 -10.031 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 359 5.465 -11.730 0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 359 7.122 -11.654 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 359 6.772 -9.954 -1.828 1.00 0.00 H new ATOM 90 N VAL A 360 4.461 -8.942 -2.083 1.00 0.00 N ATOM 91 CA VAL A 360 4.341 -7.771 -2.942 1.00 0.00 C ATOM 92 C VAL A 360 5.461 -7.736 -3.976 1.00 0.00 C ATOM 93 O VAL A 360 6.616 -8.028 -3.664 1.00 0.00 O ATOM 94 CB VAL A 360 4.360 -6.463 -2.122 1.00 0.00 C ATOM 95 CG1 VAL A 360 5.663 -6.330 -1.348 1.00 0.00 C ATOM 96 CG2 VAL A 360 4.145 -5.260 -3.028 1.00 0.00 C ATOM 0 H VAL A 360 4.759 -8.738 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 360 3.382 -7.848 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 360 3.542 -6.499 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 360 5.654 -5.401 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 360 5.769 -7.174 -0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 360 6.501 -6.320 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 360 4.162 -4.348 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 360 4.938 -5.220 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 360 3.181 -5.349 -3.528 1.00 0.00 H new ATOM 106 N LEU A 361 5.114 -7.375 -5.206 1.00 0.00 N ATOM 107 CA LEU A 361 6.092 -7.301 -6.286 1.00 0.00 C ATOM 108 C LEU A 361 7.205 -6.317 -5.938 1.00 0.00 C ATOM 109 O LEU A 361 6.950 -5.251 -5.376 1.00 0.00 O ATOM 110 CB LEU A 361 5.422 -6.890 -7.601 1.00 0.00 C ATOM 111 CG LEU A 361 4.467 -7.923 -8.211 1.00 0.00 C ATOM 112 CD1 LEU A 361 3.236 -8.113 -7.338 1.00 0.00 C ATOM 113 CD2 LEU A 361 4.064 -7.505 -9.616 1.00 0.00 C ATOM 0 H LEU A 361 4.163 -7.129 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 361 6.527 -8.292 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 361 4.869 -5.966 -7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.201 -6.667 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 361 4.990 -8.878 -8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 361 2.576 -8.851 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 361 3.540 -8.460 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 361 2.708 -7.164 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.386 -8.248 -10.036 1.00 0.00 H new ATOM 0 HD22 LEU A 361 3.564 -6.537 -9.578 1.00 0.00 H new ATOM 0 HD23 LEU A 361 4.953 -7.430 -10.242 1.00 0.00 H new ATOM 125 N THR A 362 8.439 -6.684 -6.272 1.00 0.00 N ATOM 126 CA THR A 362 9.592 -5.836 -5.992 1.00 0.00 C ATOM 127 C THR A 362 10.624 -5.920 -7.111 1.00 0.00 C ATOM 128 O THR A 362 11.137 -4.900 -7.571 1.00 0.00 O ATOM 129 CB THR A 362 10.271 -6.222 -4.663 1.00 0.00 C ATOM 130 OG1 THR A 362 10.690 -7.592 -4.705 1.00 0.00 O ATOM 131 CG2 THR A 362 9.329 -6.013 -3.487 1.00 0.00 C ATOM 0 H THR A 362 8.665 -7.563 -6.737 1.00 0.00 H new ATOM 0 HA THR A 362 9.216 -4.816 -5.919 1.00 0.00 H new ATOM 0 HB THR A 362 11.140 -5.578 -4.529 1.00 0.00 H new ATOM 0 HG1 THR A 362 11.122 -7.828 -3.858 1.00 0.00 H new ATOM 0 HG21 THR A 362 9.834 -6.293 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A 362 9.036 -4.964 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 362 8.441 -6.632 -3.618 1.00 0.00 H new ATOM 139 N GLN A 363 10.924 -7.141 -7.547 1.00 0.00 N ATOM 140 CA GLN A 363 11.897 -7.355 -8.613 1.00 0.00 C ATOM 141 C GLN A 363 11.875 -8.809 -9.084 1.00 0.00 C ATOM 142 O GLN A 363 12.894 -9.502 -9.057 1.00 0.00 O ATOM 143 CB GLN A 363 13.301 -6.968 -8.141 1.00 0.00 C ATOM 144 CG GLN A 363 14.340 -6.959 -9.252 1.00 0.00 C ATOM 145 CD GLN A 363 15.707 -6.519 -8.767 1.00 0.00 C ATOM 146 OE1 GLN A 363 15.871 -5.409 -8.261 1.00 0.00 O ATOM 147 NE2 GLN A 363 16.698 -7.389 -8.922 1.00 0.00 N ATOM 0 H GLN A 363 10.507 -7.996 -7.178 1.00 0.00 H new ATOM 0 HA GLN A 363 11.625 -6.719 -9.455 1.00 0.00 H new ATOM 0 HB2 GLN A 363 13.261 -5.979 -7.685 1.00 0.00 H new ATOM 0 HB3 GLN A 363 13.618 -7.664 -7.365 1.00 0.00 H new ATOM 0 HG2 GLN A 363 14.415 -7.958 -9.682 1.00 0.00 H new ATOM 0 HG3 GLN A 363 14.009 -6.293 -10.049 1.00 0.00 H new ATOM 0 HE21 GLN A 363 16.516 -8.298 -9.347 1.00 0.00 H new ATOM 0 HE22 GLN A 363 17.641 -7.148 -8.616 1.00 0.00 H new ATOM 156 N LYS A 364 10.702 -9.261 -9.513 1.00 0.00 N ATOM 157 CA LYS A 364 10.533 -10.629 -9.993 1.00 0.00 C ATOM 158 C LYS A 364 9.320 -10.721 -10.911 1.00 0.00 C ATOM 159 O LYS A 364 8.248 -10.212 -10.582 1.00 0.00 O ATOM 160 CB LYS A 364 10.383 -11.594 -8.815 1.00 0.00 C ATOM 161 CG LYS A 364 9.217 -11.262 -7.896 1.00 0.00 C ATOM 162 CD LYS A 364 9.147 -12.222 -6.718 1.00 0.00 C ATOM 163 CE LYS A 364 8.012 -11.862 -5.772 1.00 0.00 C ATOM 164 NZ LYS A 364 7.931 -12.803 -4.621 1.00 0.00 N ATOM 0 H LYS A 364 9.851 -8.699 -9.538 1.00 0.00 H new ATOM 0 HA LYS A 364 11.421 -10.910 -10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 364 10.254 -12.606 -9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 364 11.305 -11.589 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 364 9.320 -10.241 -7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 364 8.285 -11.306 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 364 9.008 -13.239 -7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 364 10.093 -12.205 -6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 364 8.156 -10.847 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 364 7.068 -11.872 -6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 7.147 -13.469 -4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 8.823 -13.331 -4.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 7.766 -12.267 -3.745 1.00 0.00 H new ATOM 178 N HIS A 365 9.508 -11.363 -12.068 1.00 0.00 N ATOM 179 CA HIS A 365 8.446 -11.522 -13.065 1.00 0.00 C ATOM 180 C HIS A 365 8.206 -10.204 -13.805 1.00 0.00 C ATOM 181 O HIS A 365 8.076 -10.183 -15.029 1.00 0.00 O ATOM 182 CB HIS A 365 7.147 -12.008 -12.407 1.00 0.00 C ATOM 183 CG HIS A 365 6.056 -12.348 -13.379 1.00 0.00 C ATOM 184 ND1 HIS A 365 4.790 -12.727 -12.981 1.00 0.00 N ATOM 185 CD2 HIS A 365 6.043 -12.374 -14.734 1.00 0.00 C ATOM 186 CE1 HIS A 365 4.048 -12.970 -14.048 1.00 0.00 C ATOM 187 NE2 HIS A 365 4.786 -12.762 -15.123 1.00 0.00 N ATOM 0 H HIS A 365 10.396 -11.785 -12.339 1.00 0.00 H new ATOM 0 HA HIS A 365 8.767 -12.274 -13.786 1.00 0.00 H new ATOM 0 HB2 HIS A 365 7.366 -12.888 -11.802 1.00 0.00 H new ATOM 0 HB3 HIS A 365 6.786 -11.236 -11.728 1.00 0.00 H new ATOM 0 HD2 HIS A 365 6.869 -12.134 -15.387 1.00 0.00 H new ATOM 0 HE1 HIS A 365 3.015 -13.285 -14.041 1.00 0.00 H new ATOM 0 HE2 HIS A 365 4.472 -12.872 -16.087 1.00 0.00 H new ATOM 196 N LYS A 366 8.162 -9.109 -13.052 1.00 0.00 N ATOM 197 CA LYS A 366 7.951 -7.783 -13.619 1.00 0.00 C ATOM 198 C LYS A 366 8.149 -6.713 -12.547 1.00 0.00 C ATOM 199 O LYS A 366 7.741 -6.893 -11.399 1.00 0.00 O ATOM 200 CB LYS A 366 6.552 -7.671 -14.228 1.00 0.00 C ATOM 201 CG LYS A 366 5.430 -7.976 -13.249 1.00 0.00 C ATOM 202 CD LYS A 366 4.066 -7.852 -13.911 1.00 0.00 C ATOM 203 CE LYS A 366 2.945 -8.212 -12.949 1.00 0.00 C ATOM 204 NZ LYS A 366 3.058 -9.615 -12.463 1.00 0.00 N ATOM 0 H LYS A 366 8.271 -9.116 -12.038 1.00 0.00 H new ATOM 0 HA LYS A 366 8.683 -7.627 -14.411 1.00 0.00 H new ATOM 0 HB2 LYS A 366 6.416 -6.663 -14.619 1.00 0.00 H new ATOM 0 HB3 LYS A 366 6.479 -8.354 -15.074 1.00 0.00 H new ATOM 0 HG2 LYS A 366 5.554 -8.984 -12.854 1.00 0.00 H new ATOM 0 HG3 LYS A 366 5.488 -7.292 -12.402 1.00 0.00 H new ATOM 0 HD2 LYS A 366 3.926 -6.832 -14.269 1.00 0.00 H new ATOM 0 HD3 LYS A 366 4.023 -8.505 -14.783 1.00 0.00 H new ATOM 0 HE2 LYS A 366 2.964 -7.531 -12.098 1.00 0.00 H new ATOM 0 HE3 LYS A 366 1.984 -8.076 -13.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 2.155 -9.909 -12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 3.286 -10.242 -13.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 3.812 -9.676 -11.749 1.00 0.00 H new ATOM 218 N PRO A 367 8.785 -5.583 -12.904 1.00 0.00 N ATOM 219 CA PRO A 367 9.037 -4.488 -11.961 1.00 0.00 C ATOM 220 C PRO A 367 7.753 -3.847 -11.449 1.00 0.00 C ATOM 221 O PRO A 367 6.869 -3.494 -12.229 1.00 0.00 O ATOM 222 CB PRO A 367 9.848 -3.487 -12.776 1.00 0.00 C ATOM 223 CG PRO A 367 9.551 -3.803 -14.197 1.00 0.00 C ATOM 224 CD PRO A 367 9.304 -5.281 -14.250 1.00 0.00 C ATOM 0 HA PRO A 367 9.550 -4.840 -11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 367 9.565 -2.462 -12.534 1.00 0.00 H new ATOM 0 HB3 PRO A 367 10.914 -3.582 -12.567 1.00 0.00 H new ATOM 0 HG2 PRO A 367 8.679 -3.249 -14.546 1.00 0.00 H new ATOM 0 HG3 PRO A 367 10.385 -3.524 -14.841 1.00 0.00 H new ATOM 0 HD2 PRO A 367 8.585 -5.542 -15.027 1.00 0.00 H new ATOM 0 HD3 PRO A 367 10.218 -5.835 -14.463 1.00 0.00 H new ATOM 232 N ALA A 368 7.664 -3.698 -10.127 1.00 0.00 N ATOM 233 CA ALA A 368 6.493 -3.100 -9.494 1.00 0.00 C ATOM 234 C ALA A 368 6.700 -2.956 -7.989 1.00 0.00 C ATOM 235 O ALA A 368 5.828 -3.310 -7.195 1.00 0.00 O ATOM 236 CB ALA A 368 5.253 -3.935 -9.778 1.00 0.00 C ATOM 0 H ALA A 368 8.393 -3.985 -9.474 1.00 0.00 H new ATOM 0 HA ALA A 368 6.351 -2.105 -9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 368 4.388 -3.476 -9.299 1.00 0.00 H new ATOM 0 HB2 ALA A 368 5.087 -3.986 -10.854 1.00 0.00 H new ATOM 0 HB3 ALA A 368 5.394 -4.942 -9.384 1.00 0.00 H new ATOM 242 N GLU A 369 7.862 -2.436 -7.604 1.00 0.00 N ATOM 243 CA GLU A 369 8.190 -2.245 -6.197 1.00 0.00 C ATOM 244 C GLU A 369 7.224 -1.269 -5.535 1.00 0.00 C ATOM 245 O GLU A 369 6.953 -0.190 -6.064 1.00 0.00 O ATOM 246 CB GLU A 369 9.628 -1.740 -6.053 1.00 0.00 C ATOM 247 CG GLU A 369 9.898 -0.445 -6.805 1.00 0.00 C ATOM 248 CD GLU A 369 11.329 0.033 -6.654 1.00 0.00 C ATOM 249 OE1 GLU A 369 12.116 -0.650 -5.966 1.00 0.00 O ATOM 250 OE2 GLU A 369 11.662 1.094 -7.224 1.00 0.00 O ATOM 0 H GLU A 369 8.593 -2.139 -8.250 1.00 0.00 H new ATOM 0 HA GLU A 369 8.097 -3.208 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 369 9.847 -1.589 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 369 10.312 -2.509 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 369 9.678 -0.591 -7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 369 9.221 0.329 -6.443 1.00 0.00 H new ATOM 257 N SER A 370 6.711 -1.661 -4.372 1.00 0.00 N ATOM 258 CA SER A 370 5.772 -0.833 -3.619 1.00 0.00 C ATOM 259 C SER A 370 5.415 -1.490 -2.287 1.00 0.00 C ATOM 260 O SER A 370 4.240 -1.619 -1.941 1.00 0.00 O ATOM 261 CB SER A 370 4.500 -0.590 -4.436 1.00 0.00 C ATOM 262 OG SER A 370 3.862 -1.813 -4.761 1.00 0.00 O ATOM 0 H SER A 370 6.931 -2.552 -3.928 1.00 0.00 H new ATOM 0 HA SER A 370 6.253 0.124 -3.417 1.00 0.00 H new ATOM 0 HB2 SER A 370 3.816 0.042 -3.870 1.00 0.00 H new ATOM 0 HB3 SER A 370 4.749 -0.051 -5.350 1.00 0.00 H new ATOM 0 HG SER A 370 3.052 -1.631 -5.281 1.00 0.00 H new ATOM 268 N GLN A 371 6.439 -1.907 -1.547 1.00 0.00 N ATOM 269 CA GLN A 371 6.237 -2.556 -0.255 1.00 0.00 C ATOM 270 C GLN A 371 5.474 -1.647 0.707 1.00 0.00 C ATOM 271 O GLN A 371 4.478 -2.057 1.303 1.00 0.00 O ATOM 272 CB GLN A 371 7.585 -2.953 0.353 1.00 0.00 C ATOM 273 CG GLN A 371 8.568 -1.798 0.464 1.00 0.00 C ATOM 274 CD GLN A 371 9.880 -2.206 1.103 1.00 0.00 C ATOM 275 OE1 GLN A 371 10.584 -3.081 0.600 1.00 0.00 O ATOM 276 NE2 GLN A 371 10.215 -1.571 2.220 1.00 0.00 N ATOM 0 H GLN A 371 7.417 -1.807 -1.820 1.00 0.00 H new ATOM 0 HA GLN A 371 5.640 -3.453 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 371 7.417 -3.372 1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 371 8.030 -3.741 -0.255 1.00 0.00 H new ATOM 0 HG2 GLN A 371 8.763 -1.395 -0.530 1.00 0.00 H new ATOM 0 HG3 GLN A 371 8.117 -0.997 1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 371 9.601 -0.852 2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 371 11.087 -1.802 2.696 1.00 0.00 H new ATOM 285 N GLN A 372 5.944 -0.412 0.850 1.00 0.00 N ATOM 286 CA GLN A 372 5.301 0.553 1.736 1.00 0.00 C ATOM 287 C GLN A 372 3.981 1.033 1.144 1.00 0.00 C ATOM 288 O GLN A 372 3.901 1.342 -0.045 1.00 0.00 O ATOM 289 CB GLN A 372 6.227 1.746 1.982 1.00 0.00 C ATOM 290 CG GLN A 372 5.620 2.819 2.873 1.00 0.00 C ATOM 291 CD GLN A 372 5.248 2.297 4.248 1.00 0.00 C ATOM 292 OE1 GLN A 372 6.101 1.813 4.991 1.00 0.00 O ATOM 293 NE2 GLN A 372 3.969 2.395 4.591 1.00 0.00 N ATOM 0 H GLN A 372 6.767 -0.056 0.364 1.00 0.00 H new ATOM 0 HA GLN A 372 5.096 0.060 2.686 1.00 0.00 H new ATOM 0 HB2 GLN A 372 7.151 1.389 2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 372 6.494 2.191 1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 372 6.329 3.640 2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 372 4.731 3.226 2.391 1.00 0.00 H new ATOM 0 HE21 GLN A 372 3.297 2.804 3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 372 3.659 2.061 5.504 1.00 0.00 H new ATOM 302 N GLN A 373 2.949 1.100 1.980 1.00 0.00 N ATOM 303 CA GLN A 373 1.638 1.551 1.532 1.00 0.00 C ATOM 304 C GLN A 373 1.708 2.969 0.987 1.00 0.00 C ATOM 305 O GLN A 373 2.393 3.829 1.541 1.00 0.00 O ATOM 306 CB GLN A 373 0.615 1.478 2.667 1.00 0.00 C ATOM 307 CG GLN A 373 0.050 0.085 2.897 1.00 0.00 C ATOM 308 CD GLN A 373 1.079 -0.903 3.415 1.00 0.00 C ATOM 309 OE1 GLN A 373 2.059 -1.213 2.738 1.00 0.00 O ATOM 310 NE2 GLN A 373 0.856 -1.407 4.623 1.00 0.00 N ATOM 0 H GLN A 373 2.996 0.849 2.967 1.00 0.00 H new ATOM 0 HA GLN A 373 1.317 0.885 0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.083 1.827 3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -0.206 2.161 2.448 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -0.773 0.148 3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.365 -0.290 1.961 1.00 0.00 H new ATOM 0 HE21 GLN A 373 0.030 -1.122 5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 373 1.510 -2.079 5.024 1.00 0.00 H new ATOM 319 N ALA A 374 0.996 3.204 -0.107 1.00 0.00 N ATOM 320 CA ALA A 374 0.975 4.517 -0.738 1.00 0.00 C ATOM 321 C ALA A 374 -0.451 5.027 -0.898 1.00 0.00 C ATOM 322 O ALA A 374 -1.340 4.288 -1.319 1.00 0.00 O ATOM 323 CB ALA A 374 1.672 4.461 -2.089 1.00 0.00 C ATOM 0 H ALA A 374 0.425 2.502 -0.577 1.00 0.00 H new ATOM 0 HA ALA A 374 1.510 5.213 -0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.650 5.448 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.707 4.148 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.159 3.747 -2.734 1.00 0.00 H new ATOM 329 N ALA A 375 -0.658 6.295 -0.558 1.00 0.00 N ATOM 330 CA ALA A 375 -1.973 6.912 -0.664 1.00 0.00 C ATOM 331 C ALA A 375 -2.500 6.834 -2.092 1.00 0.00 C ATOM 332 O ALA A 375 -2.190 7.684 -2.928 1.00 0.00 O ATOM 333 CB ALA A 375 -1.912 8.358 -0.198 1.00 0.00 C ATOM 0 H ALA A 375 0.071 6.916 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.661 6.363 -0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -2.901 8.809 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.584 8.392 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.207 8.911 -0.819 1.00 0.00 H new ATOM 339 N GLU A 376 -3.299 5.808 -2.362 1.00 0.00 N ATOM 340 CA GLU A 376 -3.878 5.607 -3.680 1.00 0.00 C ATOM 341 C GLU A 376 -4.923 6.676 -3.974 1.00 0.00 C ATOM 342 O GLU A 376 -4.805 7.814 -3.517 1.00 0.00 O ATOM 343 CB GLU A 376 -4.492 4.206 -3.756 1.00 0.00 C ATOM 344 CG GLU A 376 -3.512 3.104 -3.394 1.00 0.00 C ATOM 345 CD GLU A 376 -2.340 3.030 -4.354 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.573 2.775 -5.555 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.192 3.233 -3.908 1.00 0.00 O ATOM 0 H GLU A 376 -3.561 5.098 -1.678 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.096 5.692 -4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.350 4.155 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.866 4.034 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.140 3.271 -2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.033 2.147 -3.387 1.00 0.00 H new ATOM 354 N THR A 377 -5.942 6.311 -4.737 1.00 0.00 N ATOM 355 CA THR A 377 -7.002 7.238 -5.094 1.00 0.00 C ATOM 356 C THR A 377 -8.339 6.520 -5.168 1.00 0.00 C ATOM 357 O THR A 377 -8.394 5.318 -5.423 1.00 0.00 O ATOM 358 CB THR A 377 -6.718 7.927 -6.440 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.661 6.955 -7.490 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.405 8.693 -6.381 1.00 0.00 C ATOM 0 H THR A 377 -6.056 5.373 -5.122 1.00 0.00 H new ATOM 0 HA THR A 377 -7.041 8.000 -4.315 1.00 0.00 H new ATOM 0 HB THR A 377 -7.527 8.629 -6.643 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.482 7.404 -8.342 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.221 9.174 -7.342 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.461 9.452 -5.600 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.591 8.003 -6.158 1.00 0.00 H new ATOM 368 N GLU A 378 -9.414 7.262 -4.927 1.00 0.00 N ATOM 369 CA GLU A 378 -10.755 6.697 -4.953 1.00 0.00 C ATOM 370 C GLU A 378 -10.941 5.807 -6.173 1.00 0.00 C ATOM 371 O GLU A 378 -11.584 4.762 -6.103 1.00 0.00 O ATOM 372 CB GLU A 378 -11.797 7.813 -4.960 1.00 0.00 C ATOM 373 CG GLU A 378 -13.224 7.308 -4.842 1.00 0.00 C ATOM 374 CD GLU A 378 -14.243 8.431 -4.841 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.307 9.176 -5.840 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.978 8.564 -3.840 1.00 0.00 O ATOM 0 H GLU A 378 -9.381 8.258 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.888 6.090 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.592 8.496 -4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.698 8.387 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.435 6.632 -5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.326 6.729 -3.924 1.00 0.00 H new ATOM 383 N GLY A 379 -10.373 6.238 -7.290 1.00 0.00 N ATOM 384 CA GLY A 379 -10.484 5.481 -8.521 1.00 0.00 C ATOM 385 C GLY A 379 -9.806 4.129 -8.459 1.00 0.00 C ATOM 386 O GLY A 379 -10.349 3.139 -8.948 1.00 0.00 O ATOM 0 H GLY A 379 -9.835 7.101 -7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.538 5.340 -8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.049 6.060 -9.335 1.00 0.00 H new ATOM 390 N SER A 380 -8.618 4.079 -7.867 1.00 0.00 N ATOM 391 CA SER A 380 -7.883 2.822 -7.767 1.00 0.00 C ATOM 392 C SER A 380 -8.587 1.842 -6.834 1.00 0.00 C ATOM 393 O SER A 380 -8.799 0.681 -7.186 1.00 0.00 O ATOM 394 CB SER A 380 -6.458 3.074 -7.273 1.00 0.00 C ATOM 395 OG SER A 380 -6.461 3.669 -5.989 1.00 0.00 O ATOM 0 H SER A 380 -8.147 4.884 -7.453 1.00 0.00 H new ATOM 0 HA SER A 380 -7.845 2.381 -8.763 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.910 2.133 -7.240 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.935 3.722 -7.976 1.00 0.00 H new ATOM 0 HG SER A 380 -7.244 4.252 -5.900 1.00 0.00 H new ATOM 401 N CYS A 381 -8.937 2.317 -5.644 1.00 0.00 N ATOM 402 CA CYS A 381 -9.604 1.490 -4.642 1.00 0.00 C ATOM 403 C CYS A 381 -10.858 0.818 -5.194 1.00 0.00 C ATOM 404 O CYS A 381 -11.055 -0.384 -5.012 1.00 0.00 O ATOM 405 CB CYS A 381 -9.968 2.339 -3.426 1.00 0.00 C ATOM 406 SG CYS A 381 -8.535 3.114 -2.612 1.00 0.00 S ATOM 0 H CYS A 381 -8.769 3.278 -5.347 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.908 0.703 -4.352 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.664 3.119 -3.735 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.491 1.714 -2.702 1.00 0.00 H new ATOM 411 N ASN A 382 -11.707 1.595 -5.862 1.00 0.00 N ATOM 412 CA ASN A 382 -12.945 1.062 -6.429 1.00 0.00 C ATOM 413 C ASN A 382 -12.664 -0.148 -7.305 1.00 0.00 C ATOM 414 O ASN A 382 -13.439 -1.104 -7.335 1.00 0.00 O ATOM 415 CB ASN A 382 -13.663 2.133 -7.255 1.00 0.00 C ATOM 416 CG ASN A 382 -14.034 3.358 -6.442 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.680 3.357 -5.161 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.632 4.300 -6.961 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.562 2.592 -6.024 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.585 0.757 -5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.023 2.434 -8.084 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.566 1.704 -7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.886 4.261 -7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.874 5.120 -6.404 1.00 0.00 H new ATOM 425 N LYS A 383 -11.555 -0.090 -8.027 1.00 0.00 N ATOM 426 CA LYS A 383 -11.165 -1.168 -8.919 1.00 0.00 C ATOM 427 C LYS A 383 -10.556 -2.339 -8.152 1.00 0.00 C ATOM 428 O LYS A 383 -10.706 -3.493 -8.553 1.00 0.00 O ATOM 429 CB LYS A 383 -10.173 -0.650 -9.961 1.00 0.00 C ATOM 430 CG LYS A 383 -10.647 0.610 -10.674 1.00 0.00 C ATOM 431 CD LYS A 383 -11.987 0.400 -11.360 1.00 0.00 C ATOM 432 CE LYS A 383 -12.428 1.644 -12.117 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.458 2.020 -13.182 1.00 0.00 N ATOM 0 H LYS A 383 -10.907 0.698 -8.011 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.063 -1.530 -9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.219 -0.446 -9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.993 -1.431 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.731 1.425 -9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.904 0.911 -11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.916 -0.441 -12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.740 0.139 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -13.407 1.469 -12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.540 2.473 -11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.907 2.688 -13.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.625 2.468 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.164 1.168 -13.700 1.00 0.00 H new ATOM 447 N LYS A 384 -9.851 -2.041 -7.060 1.00 0.00 N ATOM 448 CA LYS A 384 -9.211 -3.066 -6.270 1.00 0.00 C ATOM 449 C LYS A 384 -10.181 -4.107 -5.770 1.00 0.00 C ATOM 450 O LYS A 384 -11.349 -3.831 -5.494 1.00 0.00 O ATOM 451 CB LYS A 384 -8.493 -2.450 -5.084 1.00 0.00 C ATOM 452 CG LYS A 384 -7.461 -1.431 -5.491 1.00 0.00 C ATOM 453 CD LYS A 384 -6.460 -2.013 -6.467 1.00 0.00 C ATOM 454 CE LYS A 384 -6.841 -1.705 -7.906 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.764 -2.080 -8.864 1.00 0.00 N ATOM 0 H LYS A 384 -9.715 -1.092 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.498 -3.561 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.224 -1.978 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.010 -3.239 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.956 -0.572 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.939 -1.067 -4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.469 -1.610 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.400 -3.093 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.755 -2.241 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.058 -0.641 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.066 -1.853 -9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.898 -1.550 -8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.574 -3.100 -8.791 1.00 0.00 H new ATOM 469 N ASP A 385 -9.649 -5.296 -5.618 1.00 0.00 N ATOM 470 CA ASP A 385 -10.409 -6.421 -5.100 1.00 0.00 C ATOM 471 C ASP A 385 -10.364 -6.373 -3.584 1.00 0.00 C ATOM 472 O ASP A 385 -9.648 -5.551 -3.020 1.00 0.00 O ATOM 473 CB ASP A 385 -9.846 -7.751 -5.604 1.00 0.00 C ATOM 474 CG ASP A 385 -9.820 -7.836 -7.119 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.225 -6.856 -7.779 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.395 -8.885 -7.647 1.00 0.00 O ATOM 0 H ASP A 385 -8.680 -5.516 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.439 -6.350 -5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.835 -7.883 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.447 -8.569 -5.208 1.00 0.00 H new ATOM 481 N GLN A 386 -11.115 -7.237 -2.924 1.00 0.00 N ATOM 482 CA GLN A 386 -11.132 -7.251 -1.466 1.00 0.00 C ATOM 483 C GLN A 386 -9.708 -7.260 -0.913 1.00 0.00 C ATOM 484 O GLN A 386 -9.320 -6.370 -0.155 1.00 0.00 O ATOM 485 CB GLN A 386 -11.906 -8.469 -0.957 1.00 0.00 C ATOM 486 CG GLN A 386 -12.077 -8.504 0.554 1.00 0.00 C ATOM 487 CD GLN A 386 -12.808 -9.746 1.027 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.352 -10.868 0.810 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.950 -9.550 1.676 1.00 0.00 N ATOM 0 H GLN A 386 -11.716 -7.933 -3.366 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.632 -6.347 -1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.891 -8.483 -1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.389 -9.374 -1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.097 -8.460 1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.626 -7.619 0.875 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -14.291 -8.602 1.834 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.486 -10.348 2.017 1.00 0.00 H new ATOM 498 N ASN A 387 -8.930 -8.257 -1.314 1.00 0.00 N ATOM 499 CA ASN A 387 -7.549 -8.377 -0.874 1.00 0.00 C ATOM 500 C ASN A 387 -6.683 -7.259 -1.452 1.00 0.00 C ATOM 501 O ASN A 387 -5.696 -6.847 -0.840 1.00 0.00 O ATOM 502 CB ASN A 387 -6.989 -9.738 -1.283 1.00 0.00 C ATOM 503 CG ASN A 387 -5.525 -9.889 -0.940 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.133 -9.804 0.223 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.706 -10.115 -1.957 1.00 0.00 N ATOM 0 H ASN A 387 -9.235 -8.997 -1.946 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.531 -8.289 0.212 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.558 -10.525 -0.788 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.123 -9.875 -2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.706 -10.226 -1.791 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.076 -10.178 -2.905 1.00 0.00 H new ATOM 512 N GLU A 388 -7.052 -6.779 -2.637 1.00 0.00 N ATOM 513 CA GLU A 388 -6.303 -5.716 -3.302 1.00 0.00 C ATOM 514 C GLU A 388 -6.634 -4.351 -2.726 1.00 0.00 C ATOM 515 O GLU A 388 -5.881 -3.396 -2.926 1.00 0.00 O ATOM 516 CB GLU A 388 -6.568 -5.733 -4.809 1.00 0.00 C ATOM 517 CG GLU A 388 -6.063 -6.991 -5.498 1.00 0.00 C ATOM 518 CD GLU A 388 -6.269 -6.959 -6.999 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.763 -6.018 -7.647 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.927 -7.878 -7.529 1.00 0.00 O ATOM 0 H GLU A 388 -7.865 -7.109 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.244 -5.904 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.640 -5.638 -4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.093 -4.863 -5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.002 -7.116 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.577 -7.858 -5.083 1.00 0.00 H new ATOM 527 N CYS A 389 -7.745 -4.247 -2.003 1.00 0.00 N ATOM 528 CA CYS A 389 -8.108 -2.973 -1.414 1.00 0.00 C ATOM 529 C CYS A 389 -7.011 -2.559 -0.450 1.00 0.00 C ATOM 530 O CYS A 389 -6.823 -3.169 0.603 1.00 0.00 O ATOM 531 CB CYS A 389 -9.457 -3.052 -0.710 1.00 0.00 C ATOM 532 SG CYS A 389 -10.156 -1.416 -0.339 1.00 0.00 S ATOM 0 H CYS A 389 -8.393 -5.013 -1.817 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.208 -2.224 -2.200 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.156 -3.607 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.345 -3.613 0.218 1.00 0.00 H new ATOM 537 N LYS A 390 -6.252 -1.553 -0.851 1.00 0.00 N ATOM 538 CA LYS A 390 -5.122 -1.082 -0.065 1.00 0.00 C ATOM 539 C LYS A 390 -5.546 -0.350 1.208 1.00 0.00 C ATOM 540 O LYS A 390 -6.705 0.031 1.366 1.00 0.00 O ATOM 541 CB LYS A 390 -4.221 -0.222 -0.938 1.00 0.00 C ATOM 542 CG LYS A 390 -3.635 -1.004 -2.110 1.00 0.00 C ATOM 543 CD LYS A 390 -2.583 -0.199 -2.858 1.00 0.00 C ATOM 544 CE LYS A 390 -1.384 0.113 -1.972 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.336 0.878 -2.701 1.00 0.00 N ATOM 0 H LYS A 390 -6.399 -1.043 -1.722 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.563 -1.954 0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.789 0.627 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.410 0.183 -0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.191 -1.930 -1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.434 -1.283 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.253 -0.756 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.023 0.731 -3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.713 0.685 -1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -0.958 -0.818 -1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.515 0.952 -2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.100 0.386 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.690 1.831 -2.919 1.00 0.00 H new ATOM 559 N SER A 391 -4.590 -0.194 2.126 1.00 0.00 N ATOM 560 CA SER A 391 -4.836 0.452 3.415 1.00 0.00 C ATOM 561 C SER A 391 -5.560 1.794 3.265 1.00 0.00 C ATOM 562 O SER A 391 -6.616 1.989 3.867 1.00 0.00 O ATOM 563 CB SER A 391 -3.520 0.640 4.176 1.00 0.00 C ATOM 564 OG SER A 391 -3.733 1.297 5.413 1.00 0.00 O ATOM 0 H SER A 391 -3.629 -0.510 1.997 1.00 0.00 H new ATOM 0 HA SER A 391 -5.492 -0.206 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.057 -0.331 4.352 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.825 1.220 3.568 1.00 0.00 H new ATOM 0 HG SER A 391 -2.877 1.403 5.879 1.00 0.00 H new ATOM 570 N PRO A 392 -5.022 2.743 2.466 1.00 0.00 N ATOM 571 CA PRO A 392 -5.654 4.046 2.266 1.00 0.00 C ATOM 572 C PRO A 392 -7.136 3.907 1.945 1.00 0.00 C ATOM 573 O PRO A 392 -7.951 4.749 2.319 1.00 0.00 O ATOM 574 CB PRO A 392 -4.895 4.636 1.065 1.00 0.00 C ATOM 575 CG PRO A 392 -4.052 3.532 0.530 1.00 0.00 C ATOM 576 CD PRO A 392 -3.777 2.646 1.696 1.00 0.00 C ATOM 0 HA PRO A 392 -5.604 4.671 3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.588 5.001 0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.281 5.483 1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.569 2.990 -0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.126 3.916 0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.569 1.621 1.388 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.916 2.987 2.271 1.00 0.00 H new ATOM 584 N CYS A 393 -7.469 2.829 1.246 1.00 0.00 N ATOM 585 CA CYS A 393 -8.845 2.550 0.861 1.00 0.00 C ATOM 586 C CYS A 393 -9.695 2.190 2.086 1.00 0.00 C ATOM 587 O CYS A 393 -9.280 2.406 3.225 1.00 0.00 O ATOM 588 CB CYS A 393 -8.860 1.395 -0.141 1.00 0.00 C ATOM 589 SG CYS A 393 -7.716 1.602 -1.544 1.00 0.00 S ATOM 0 H CYS A 393 -6.797 2.128 0.932 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.272 3.443 0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.610 0.472 0.383 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.872 1.278 -0.527 1.00 0.00 H new ATOM 594 N LYS A 394 -10.878 1.624 1.838 1.00 0.00 N ATOM 595 CA LYS A 394 -11.794 1.212 2.908 1.00 0.00 C ATOM 596 C LYS A 394 -12.757 0.140 2.412 1.00 0.00 C ATOM 597 O LYS A 394 -13.416 0.312 1.387 1.00 0.00 O ATOM 598 CB LYS A 394 -12.597 2.402 3.439 1.00 0.00 C ATOM 599 CG LYS A 394 -11.808 3.329 4.348 1.00 0.00 C ATOM 600 CD LYS A 394 -12.688 4.428 4.919 1.00 0.00 C ATOM 601 CE LYS A 394 -13.829 3.856 5.743 1.00 0.00 C ATOM 602 NZ LYS A 394 -13.336 3.084 6.918 1.00 0.00 N ATOM 0 H LYS A 394 -11.228 1.439 0.898 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.186 0.807 3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.976 2.976 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.463 2.027 3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.367 2.754 5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -10.984 3.774 3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -12.086 5.092 5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.092 5.031 4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.471 4.667 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -14.441 3.209 5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.132 2.870 7.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.904 2.195 6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -12.627 3.647 7.430 1.00 0.00 H new ATOM 616 N TRP A 395 -12.829 -0.971 3.145 1.00 0.00 N ATOM 617 CA TRP A 395 -13.703 -2.079 2.774 1.00 0.00 C ATOM 618 C TRP A 395 -15.170 -1.761 3.049 1.00 0.00 C ATOM 619 O TRP A 395 -15.499 -1.078 4.020 1.00 0.00 O ATOM 620 CB TRP A 395 -13.302 -3.360 3.515 1.00 0.00 C ATOM 621 CG TRP A 395 -14.020 -4.584 3.018 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.621 -5.550 3.773 1.00 0.00 C ATOM 623 CD2 TRP A 395 -14.205 -4.972 1.651 1.00 0.00 C ATOM 624 NE1 TRP A 395 -15.169 -6.513 2.957 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.926 -6.179 1.650 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.829 -4.414 0.430 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -15.278 -6.833 0.469 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -14.175 -5.056 -0.739 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.895 -6.258 -0.714 1.00 0.00 C ATOM 0 H TRP A 395 -12.292 -1.126 3.998 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.585 -2.234 1.701 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -12.227 -3.510 3.411 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -13.505 -3.235 4.579 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.660 -5.557 4.852 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.674 -7.341 3.273 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -13.273 -3.489 0.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.833 -7.760 0.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.887 -4.627 -1.688 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -15.153 -6.740 -1.645 1.00 0.00 H new ATOM 640 N HIS A 396 -16.045 -2.274 2.188 1.00 0.00 N ATOM 641 CA HIS A 396 -17.482 -2.065 2.329 1.00 0.00 C ATOM 642 C HIS A 396 -18.235 -3.373 2.118 1.00 0.00 C ATOM 643 O HIS A 396 -18.481 -3.787 0.983 1.00 0.00 O ATOM 644 CB HIS A 396 -17.971 -1.016 1.330 1.00 0.00 C ATOM 645 CG HIS A 396 -17.464 0.363 1.614 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.748 1.043 2.780 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.685 1.191 0.879 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.169 2.229 2.748 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.517 2.344 1.606 1.00 0.00 N ATOM 0 H HIS A 396 -15.781 -2.840 1.382 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.677 -1.706 3.340 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.661 -1.309 0.327 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.061 -1.002 1.335 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.272 0.983 -0.097 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.220 2.978 3.524 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -15.976 3.157 1.311 1.00 0.00 H new ATOM 658 N ASN A 397 -18.597 -4.017 3.224 1.00 0.00 N ATOM 659 CA ASN A 397 -19.322 -5.280 3.175 1.00 0.00 C ATOM 660 C ASN A 397 -20.820 -5.029 3.019 1.00 0.00 C ATOM 661 O ASN A 397 -21.312 -3.945 3.333 1.00 0.00 O ATOM 662 CB ASN A 397 -19.048 -6.100 4.439 1.00 0.00 C ATOM 663 CG ASN A 397 -19.386 -7.571 4.268 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.530 -7.933 3.998 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.386 -8.428 4.425 1.00 0.00 N ATOM 0 H ASN A 397 -18.399 -3.683 4.167 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.974 -5.846 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.997 -6.002 4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -19.630 -5.691 5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.551 -9.429 4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.451 -8.086 4.649 1.00 0.00 H new ATOM 672 N ASP A 398 -21.531 -6.038 2.524 1.00 0.00 N ATOM 673 CA ASP A 398 -22.975 -5.947 2.309 1.00 0.00 C ATOM 674 C ASP A 398 -23.302 -4.970 1.185 1.00 0.00 C ATOM 675 O ASP A 398 -24.394 -4.402 1.142 1.00 0.00 O ATOM 676 CB ASP A 398 -23.698 -5.518 3.591 1.00 0.00 C ATOM 677 CG ASP A 398 -23.458 -6.467 4.749 1.00 0.00 C ATOM 678 OD1 ASP A 398 -22.301 -6.566 5.206 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.428 -7.113 5.199 1.00 0.00 O ATOM 0 H ASP A 398 -21.127 -6.937 2.261 1.00 0.00 H new ATOM 0 HA ASP A 398 -23.323 -6.940 2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.366 -4.518 3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.768 -5.455 3.395 1.00 0.00 H new ATOM 684 N ALA A 399 -22.359 -4.791 0.264 1.00 0.00 N ATOM 685 CA ALA A 399 -22.561 -3.897 -0.869 1.00 0.00 C ATOM 686 C ALA A 399 -23.409 -4.585 -1.936 1.00 0.00 C ATOM 687 O ALA A 399 -23.957 -5.662 -1.697 1.00 0.00 O ATOM 688 CB ALA A 399 -21.217 -3.460 -1.445 1.00 0.00 C ATOM 0 H ALA A 399 -21.450 -5.253 0.281 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.091 -3.008 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.383 -2.793 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.645 -2.938 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.662 -4.337 -1.778 1.00 0.00 H new ATOM 694 N GLU A 400 -23.498 -3.979 -3.116 1.00 0.00 N ATOM 695 CA GLU A 400 -24.261 -4.565 -4.211 1.00 0.00 C ATOM 696 C GLU A 400 -23.608 -5.869 -4.630 1.00 0.00 C ATOM 697 O GLU A 400 -24.257 -6.787 -5.133 1.00 0.00 O ATOM 698 CB GLU A 400 -24.315 -3.607 -5.405 1.00 0.00 C ATOM 699 CG GLU A 400 -25.160 -4.119 -6.560 1.00 0.00 C ATOM 700 CD GLU A 400 -26.605 -4.359 -6.168 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.276 -3.392 -5.752 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.065 -5.515 -6.276 1.00 0.00 O ATOM 0 H GLU A 400 -23.054 -3.088 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.280 -4.752 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.712 -2.648 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.301 -3.426 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.125 -3.399 -7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -24.731 -5.048 -6.935 1.00 0.00 H new ATOM 709 N ASN A 401 -22.301 -5.917 -4.418 1.00 0.00 N ATOM 710 CA ASN A 401 -21.484 -7.068 -4.759 1.00 0.00 C ATOM 711 C ASN A 401 -20.069 -6.852 -4.241 1.00 0.00 C ATOM 712 O ASN A 401 -19.090 -7.058 -4.960 1.00 0.00 O ATOM 713 CB ASN A 401 -21.475 -7.262 -6.273 1.00 0.00 C ATOM 714 CG ASN A 401 -21.276 -5.951 -7.009 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.167 -5.104 -7.041 1.00 0.00 O ATOM 716 ND2 ASN A 401 -20.099 -5.769 -7.589 1.00 0.00 N ATOM 0 H ASN A 401 -21.775 -5.150 -4.000 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.898 -7.964 -4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.680 -7.956 -6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.415 -7.716 -6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -19.904 -4.900 -8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -19.387 -6.498 -7.538 1.00 0.00 H new ATOM 723 N LYS A 402 -19.982 -6.405 -2.987 1.00 0.00 N ATOM 724 CA LYS A 402 -18.704 -6.118 -2.345 1.00 0.00 C ATOM 725 C LYS A 402 -18.037 -4.927 -3.025 1.00 0.00 C ATOM 726 O LYS A 402 -17.780 -4.951 -4.228 1.00 0.00 O ATOM 727 CB LYS A 402 -17.783 -7.344 -2.372 1.00 0.00 C ATOM 728 CG LYS A 402 -18.199 -8.447 -1.406 1.00 0.00 C ATOM 729 CD LYS A 402 -19.539 -9.067 -1.784 1.00 0.00 C ATOM 730 CE LYS A 402 -19.448 -9.850 -3.082 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.473 -10.971 -2.983 1.00 0.00 N ATOM 0 H LYS A 402 -20.793 -6.233 -2.393 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.891 -5.869 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.762 -7.749 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.767 -7.029 -2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.433 -9.222 -1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.261 -8.040 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.874 -9.727 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -20.288 -8.282 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -20.431 -10.245 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.152 -9.181 -3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.650 -11.654 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.506 -10.598 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.581 -11.445 -2.064 1.00 0.00 H new ATOM 745 N LYS A 403 -17.780 -3.875 -2.252 1.00 0.00 N ATOM 746 CA LYS A 403 -17.170 -2.667 -2.793 1.00 0.00 C ATOM 747 C LYS A 403 -16.083 -2.117 -1.874 1.00 0.00 C ATOM 748 O LYS A 403 -16.047 -2.424 -0.682 1.00 0.00 O ATOM 749 CB LYS A 403 -18.238 -1.597 -3.022 1.00 0.00 C ATOM 750 CG LYS A 403 -19.341 -2.035 -3.972 1.00 0.00 C ATOM 751 CD LYS A 403 -20.343 -0.919 -4.225 1.00 0.00 C ATOM 752 CE LYS A 403 -19.689 0.287 -4.883 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.069 -0.061 -6.192 1.00 0.00 N ATOM 0 H LYS A 403 -17.984 -3.836 -1.253 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.704 -2.933 -3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.681 -1.326 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.763 -0.700 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.902 -2.351 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.857 -2.900 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.147 -1.289 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.797 -0.617 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.435 1.068 -5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.928 0.695 -4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.816 0.811 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.212 -0.628 -6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.745 -0.609 -6.761 1.00 0.00 H new ATOM 767 N CYS A 404 -15.206 -1.293 -2.442 1.00 0.00 N ATOM 768 CA CYS A 404 -14.118 -0.682 -1.685 1.00 0.00 C ATOM 769 C CYS A 404 -13.785 0.690 -2.269 1.00 0.00 C ATOM 770 O CYS A 404 -13.715 0.849 -3.488 1.00 0.00 O ATOM 771 CB CYS A 404 -12.884 -1.592 -1.691 1.00 0.00 C ATOM 772 SG CYS A 404 -12.114 -1.772 -0.049 1.00 0.00 S ATOM 0 H CYS A 404 -15.228 -1.033 -3.428 1.00 0.00 H new ATOM 0 HA CYS A 404 -14.435 -0.551 -0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -13.169 -2.577 -2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.148 -1.190 -2.388 1.00 0.00 H new ATOM 777 N THR A 405 -13.609 1.686 -1.399 1.00 0.00 N ATOM 778 CA THR A 405 -13.318 3.046 -1.851 1.00 0.00 C ATOM 779 C THR A 405 -12.236 3.720 -1.009 1.00 0.00 C ATOM 780 O THR A 405 -12.083 3.437 0.178 1.00 0.00 O ATOM 781 CB THR A 405 -14.582 3.926 -1.818 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.101 3.991 -0.484 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.648 3.380 -2.755 1.00 0.00 C ATOM 0 H THR A 405 -13.662 1.578 -0.386 1.00 0.00 H new ATOM 0 HA THR A 405 -12.957 2.950 -2.875 1.00 0.00 H new ATOM 0 HB THR A 405 -14.307 4.927 -2.150 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.903 4.554 -0.472 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.530 4.019 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.261 3.361 -3.774 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.917 2.369 -2.450 1.00 0.00 H new ATOM 791 N LEU A 406 -11.492 4.620 -1.648 1.00 0.00 N ATOM 792 CA LEU A 406 -10.419 5.358 -0.996 1.00 0.00 C ATOM 793 C LEU A 406 -10.969 6.309 0.057 1.00 0.00 C ATOM 794 O LEU A 406 -12.032 6.906 -0.120 1.00 0.00 O ATOM 795 CB LEU A 406 -9.615 6.131 -2.045 1.00 0.00 C ATOM 796 CG LEU A 406 -8.319 6.786 -1.562 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.601 8.091 -0.836 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.540 5.833 -0.673 1.00 0.00 C ATOM 0 H LEU A 406 -11.618 4.856 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.765 4.646 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.370 5.449 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.256 6.908 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.711 7.017 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.662 8.533 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.109 8.780 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.235 7.897 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.622 6.316 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.146 5.566 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.293 4.932 -1.234 1.00 0.00 H new ATOM 810 N ASP A 407 -10.232 6.446 1.150 1.00 0.00 N ATOM 811 CA ASP A 407 -10.632 7.328 2.242 1.00 0.00 C ATOM 812 C ASP A 407 -9.766 8.585 2.271 1.00 0.00 C ATOM 813 O ASP A 407 -8.543 8.509 2.166 1.00 0.00 O ATOM 814 CB ASP A 407 -10.540 6.592 3.579 1.00 0.00 C ATOM 815 CG ASP A 407 -10.999 7.450 4.743 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.168 7.890 4.730 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.192 7.678 5.668 1.00 0.00 O ATOM 0 H ASP A 407 -9.351 5.957 1.306 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.666 7.629 2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.147 5.688 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.510 6.277 3.747 1.00 0.00 H new ATOM 822 N LYS A 408 -10.411 9.738 2.411 1.00 0.00 N ATOM 823 CA LYS A 408 -9.704 11.015 2.449 1.00 0.00 C ATOM 824 C LYS A 408 -8.780 11.105 3.661 1.00 0.00 C ATOM 825 O LYS A 408 -7.638 11.547 3.549 1.00 0.00 O ATOM 826 CB LYS A 408 -10.704 12.172 2.479 1.00 0.00 C ATOM 827 CG LYS A 408 -11.615 12.229 1.260 1.00 0.00 C ATOM 828 CD LYS A 408 -10.839 12.526 -0.015 1.00 0.00 C ATOM 829 CE LYS A 408 -10.203 13.908 0.022 1.00 0.00 C ATOM 830 NZ LYS A 408 -9.460 14.212 -1.233 1.00 0.00 N ATOM 0 H LYS A 408 -11.424 9.816 2.500 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.094 11.083 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.318 12.086 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.156 13.111 2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.139 11.279 1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -12.374 12.996 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.064 11.772 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.508 12.456 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -10.977 14.660 0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -9.523 13.972 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -9.042 15.162 -1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -8.705 13.510 -1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.114 14.177 -2.041 1.00 0.00 H new ATOM 844 N GLU A 409 -9.288 10.698 4.821 1.00 0.00 N ATOM 845 CA GLU A 409 -8.517 10.746 6.057 1.00 0.00 C ATOM 846 C GLU A 409 -7.284 9.846 5.990 1.00 0.00 C ATOM 847 O GLU A 409 -6.187 10.254 6.371 1.00 0.00 O ATOM 848 CB GLU A 409 -9.401 10.336 7.236 1.00 0.00 C ATOM 849 CG GLU A 409 -8.691 10.400 8.576 1.00 0.00 C ATOM 850 CD GLU A 409 -9.589 10.000 9.731 1.00 0.00 C ATOM 851 OE1 GLU A 409 -10.624 10.669 9.937 1.00 0.00 O ATOM 852 OE2 GLU A 409 -9.259 9.017 10.427 1.00 0.00 O ATOM 0 H GLU A 409 -10.233 10.330 4.930 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.172 11.770 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.276 10.985 7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.762 9.321 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -7.820 9.745 8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -8.323 11.413 8.740 1.00 0.00 H new ATOM 859 N GLU A 410 -7.470 8.621 5.514 1.00 0.00 N ATOM 860 CA GLU A 410 -6.369 7.669 5.412 1.00 0.00 C ATOM 861 C GLU A 410 -5.339 8.118 4.378 1.00 0.00 C ATOM 862 O GLU A 410 -4.135 8.070 4.627 1.00 0.00 O ATOM 863 CB GLU A 410 -6.898 6.278 5.049 1.00 0.00 C ATOM 864 CG GLU A 410 -7.843 5.691 6.084 1.00 0.00 C ATOM 865 CD GLU A 410 -7.172 5.430 7.421 1.00 0.00 C ATOM 866 OE1 GLU A 410 -5.947 5.650 7.527 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.872 4.996 8.360 1.00 0.00 O ATOM 0 H GLU A 410 -8.370 8.263 5.193 1.00 0.00 H new ATOM 0 HA GLU A 410 -5.879 7.625 6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -7.414 6.335 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.054 5.602 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.680 6.373 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -8.256 4.757 5.703 1.00 0.00 H new ATOM 874 N ALA A 411 -5.820 8.542 3.215 1.00 0.00 N ATOM 875 CA ALA A 411 -4.944 8.982 2.133 1.00 0.00 C ATOM 876 C ALA A 411 -4.129 10.216 2.510 1.00 0.00 C ATOM 877 O ALA A 411 -2.936 10.285 2.222 1.00 0.00 O ATOM 878 CB ALA A 411 -5.757 9.261 0.881 1.00 0.00 C ATOM 0 H ALA A 411 -6.815 8.591 2.996 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.240 8.173 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.093 9.588 0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.275 8.353 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.488 10.043 1.088 1.00 0.00 H new ATOM 884 N LYS A 412 -4.773 11.196 3.134 1.00 0.00 N ATOM 885 CA LYS A 412 -4.090 12.426 3.520 1.00 0.00 C ATOM 886 C LYS A 412 -2.967 12.147 4.517 1.00 0.00 C ATOM 887 O LYS A 412 -1.885 12.725 4.420 1.00 0.00 O ATOM 888 CB LYS A 412 -5.082 13.433 4.108 1.00 0.00 C ATOM 889 CG LYS A 412 -5.735 12.972 5.401 1.00 0.00 C ATOM 890 CD LYS A 412 -6.692 14.017 5.957 1.00 0.00 C ATOM 891 CE LYS A 412 -5.965 15.297 6.341 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.889 16.305 6.927 1.00 0.00 N ATOM 0 H LYS A 412 -5.762 11.164 3.382 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.647 12.854 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.564 14.375 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.860 13.634 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.276 12.042 5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -4.964 12.756 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.457 14.242 5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.204 13.613 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.177 15.066 7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.480 15.718 5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.355 17.162 7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.626 16.545 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.333 15.914 7.782 1.00 0.00 H new ATOM 906 N LYS A 413 -3.230 11.265 5.476 1.00 0.00 N ATOM 907 CA LYS A 413 -2.240 10.920 6.490 1.00 0.00 C ATOM 908 C LYS A 413 -1.056 10.163 5.887 1.00 0.00 C ATOM 909 O LYS A 413 0.098 10.476 6.178 1.00 0.00 O ATOM 910 CB LYS A 413 -2.887 10.089 7.600 1.00 0.00 C ATOM 911 CG LYS A 413 -3.953 10.844 8.379 1.00 0.00 C ATOM 912 CD LYS A 413 -4.599 9.968 9.441 1.00 0.00 C ATOM 913 CE LYS A 413 -5.631 10.741 10.247 1.00 0.00 C ATOM 914 NZ LYS A 413 -6.304 9.882 11.262 1.00 0.00 N ATOM 0 H LYS A 413 -4.120 10.776 5.572 1.00 0.00 H new ATOM 0 HA LYS A 413 -1.860 11.850 6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -3.332 9.196 7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -2.113 9.753 8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -3.507 11.720 8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -4.717 11.207 7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -5.075 9.110 8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -3.831 9.578 10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -5.147 11.580 10.746 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -6.379 11.159 9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -6.431 10.420 12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -7.233 9.583 10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -5.719 9.043 11.450 1.00 0.00 H new ATOM 928 N VAL A 414 -1.344 9.167 5.052 1.00 0.00 N ATOM 929 CA VAL A 414 -0.292 8.372 4.422 1.00 0.00 C ATOM 930 C VAL A 414 0.524 9.206 3.438 1.00 0.00 C ATOM 931 O VAL A 414 1.754 9.161 3.443 1.00 0.00 O ATOM 932 CB VAL A 414 -0.875 7.149 3.687 1.00 0.00 C ATOM 933 CG1 VAL A 414 0.231 6.337 3.031 1.00 0.00 C ATOM 934 CG2 VAL A 414 -1.679 6.286 4.647 1.00 0.00 C ATOM 0 H VAL A 414 -2.292 8.892 4.797 1.00 0.00 H new ATOM 0 HA VAL A 414 0.362 8.027 5.223 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.543 7.506 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.203 5.479 2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.762 6.960 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 414 0.928 5.989 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.084 5.427 4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.033 5.940 5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -2.498 6.872 5.064 1.00 0.00 H new ATOM 944 N ALA A 415 -0.170 9.962 2.594 1.00 0.00 N ATOM 945 CA ALA A 415 0.482 10.806 1.597 1.00 0.00 C ATOM 946 C ALA A 415 1.406 11.827 2.252 1.00 0.00 C ATOM 947 O ALA A 415 2.483 12.123 1.734 1.00 0.00 O ATOM 948 CB ALA A 415 -0.561 11.509 0.740 1.00 0.00 C ATOM 0 H ALA A 415 -1.189 10.008 2.580 1.00 0.00 H new ATOM 0 HA ALA A 415 1.091 10.165 0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -0.062 12.135 0.000 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -1.175 10.766 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -1.194 12.130 1.374 1.00 0.00 H new ATOM 954 N ASP A 416 0.977 12.365 3.389 1.00 0.00 N ATOM 955 CA ASP A 416 1.764 13.358 4.115 1.00 0.00 C ATOM 956 C ASP A 416 2.915 12.698 4.875 1.00 0.00 C ATOM 957 O ASP A 416 3.305 13.151 5.951 1.00 0.00 O ATOM 958 CB ASP A 416 0.864 14.130 5.083 1.00 0.00 C ATOM 959 CG ASP A 416 1.589 15.269 5.777 1.00 0.00 C ATOM 960 OD1 ASP A 416 2.086 16.172 5.072 1.00 0.00 O ATOM 961 OD2 ASP A 416 1.658 15.256 7.023 1.00 0.00 O ATOM 0 H ASP A 416 0.087 12.130 3.829 1.00 0.00 H new ATOM 0 HA ASP A 416 2.192 14.052 3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.009 14.528 4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.472 13.444 5.834 1.00 0.00 H new ATOM 966 N GLU A 417 3.459 11.629 4.301 1.00 0.00 N ATOM 967 CA GLU A 417 4.570 10.903 4.913 1.00 0.00 C ATOM 968 C GLU A 417 5.419 10.220 3.845 1.00 0.00 C ATOM 969 O GLU A 417 6.640 10.369 3.817 1.00 0.00 O ATOM 970 CB GLU A 417 4.051 9.849 5.898 1.00 0.00 C ATOM 971 CG GLU A 417 3.302 10.428 7.088 1.00 0.00 C ATOM 972 CD GLU A 417 2.808 9.356 8.040 1.00 0.00 C ATOM 973 OE1 GLU A 417 3.650 8.615 8.588 1.00 0.00 O ATOM 974 OE2 GLU A 417 1.578 9.259 8.238 1.00 0.00 O ATOM 0 H GLU A 417 3.148 11.244 3.409 1.00 0.00 H new ATOM 0 HA GLU A 417 5.183 11.625 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 417 3.392 9.163 5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 417 4.894 9.262 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 417 3.956 11.114 7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 417 2.453 11.011 6.730 1.00 0.00 H new ATOM 981 N THR A 418 4.759 9.468 2.969 1.00 0.00 N ATOM 982 CA THR A 418 5.444 8.757 1.895 1.00 0.00 C ATOM 983 C THR A 418 5.737 9.681 0.716 1.00 0.00 C ATOM 984 O THR A 418 5.551 9.301 -0.441 1.00 0.00 O ATOM 985 CB THR A 418 4.612 7.560 1.399 1.00 0.00 C ATOM 986 OG1 THR A 418 3.354 8.017 0.887 1.00 0.00 O ATOM 987 CG2 THR A 418 4.372 6.563 2.521 1.00 0.00 C ATOM 0 H THR A 418 3.748 9.335 2.982 1.00 0.00 H new ATOM 0 HA THR A 418 6.385 8.394 2.307 1.00 0.00 H new ATOM 0 HB THR A 418 5.171 7.063 0.606 1.00 0.00 H new ATOM 0 HG1 THR A 418 2.766 8.260 1.633 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.782 5.727 2.145 1.00 0.00 H new ATOM 0 HG22 THR A 418 5.329 6.195 2.891 1.00 0.00 H new ATOM 0 HG23 THR A 418 3.833 7.051 3.333 1.00 0.00 H new ATOM 995 N ALA A 419 6.197 10.893 1.015 1.00 0.00 N ATOM 996 CA ALA A 419 6.512 11.870 -0.023 1.00 0.00 C ATOM 997 C ALA A 419 7.150 13.122 0.569 1.00 0.00 C ATOM 998 O ALA A 419 8.109 13.660 0.015 1.00 0.00 O ATOM 999 CB ALA A 419 5.258 12.238 -0.800 1.00 0.00 C ATOM 0 H ALA A 419 6.360 11.222 1.967 1.00 0.00 H new ATOM 0 HA ALA A 419 7.232 11.414 -0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 419 5.508 12.967 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 419 4.844 11.344 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 419 4.521 12.667 -0.120 1.00 0.00 H new ATOM 1005 N LYS A 420 6.605 13.587 1.693 1.00 0.00 N ATOM 1006 CA LYS A 420 7.117 14.781 2.358 1.00 0.00 C ATOM 1007 C LYS A 420 6.991 15.999 1.446 1.00 0.00 C ATOM 1008 O LYS A 420 7.956 16.738 1.241 1.00 0.00 O ATOM 1009 CB LYS A 420 8.578 14.582 2.776 1.00 0.00 C ATOM 1010 CG LYS A 420 8.790 13.422 3.738 1.00 0.00 C ATOM 1011 CD LYS A 420 8.071 13.645 5.060 1.00 0.00 C ATOM 1012 CE LYS A 420 8.316 12.495 6.023 1.00 0.00 C ATOM 1013 NZ LYS A 420 7.620 12.699 7.325 1.00 0.00 N ATOM 0 H LYS A 420 5.809 13.154 2.161 1.00 0.00 H new ATOM 0 HA LYS A 420 6.520 14.953 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 420 9.182 14.417 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 420 8.941 15.498 3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 420 8.431 12.500 3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 420 9.857 13.293 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 420 8.413 14.577 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 420 7.001 13.751 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 420 7.973 11.564 5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 420 9.387 12.390 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 7.813 11.892 7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 7.965 13.574 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 6.595 12.774 7.163 1.00 0.00 H new ATOM 1027 N ASP A 421 5.796 16.200 0.898 1.00 0.00 N ATOM 1028 CA ASP A 421 5.542 17.322 0.003 1.00 0.00 C ATOM 1029 C ASP A 421 4.046 17.528 -0.206 1.00 0.00 C ATOM 1030 O ASP A 421 3.286 16.567 -0.328 1.00 0.00 O ATOM 1031 CB ASP A 421 6.238 17.097 -1.343 1.00 0.00 C ATOM 1032 CG ASP A 421 5.812 15.805 -2.015 1.00 0.00 C ATOM 1033 OD1 ASP A 421 4.620 15.679 -2.361 1.00 0.00 O ATOM 1034 OD2 ASP A 421 6.675 14.919 -2.196 1.00 0.00 O ATOM 0 H ASP A 421 4.988 15.599 1.059 1.00 0.00 H new ATOM 0 HA ASP A 421 5.948 18.222 0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 421 6.019 17.935 -2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 421 7.317 17.084 -1.191 1.00 0.00 H new ATOM 1039 N GLY A 422 3.629 18.791 -0.240 1.00 0.00 N ATOM 1040 CA GLY A 422 2.226 19.109 -0.430 1.00 0.00 C ATOM 1041 C GLY A 422 1.975 20.604 -0.468 1.00 0.00 C ATOM 1042 O GLY A 422 1.074 21.105 0.205 1.00 0.00 O ATOM 0 H GLY A 422 4.240 19.601 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 422 1.877 18.660 -1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 422 1.643 18.665 0.377 1.00 0.00 H new ATOM 1046 N LYS A 423 2.778 21.315 -1.255 1.00 0.00 N ATOM 1047 CA LYS A 423 2.651 22.764 -1.384 1.00 0.00 C ATOM 1048 C LYS A 423 2.858 23.442 -0.031 1.00 0.00 C ATOM 1049 O LYS A 423 2.122 24.356 0.342 1.00 0.00 O ATOM 1050 CB LYS A 423 1.277 23.130 -1.955 1.00 0.00 C ATOM 1051 CG LYS A 423 1.153 24.590 -2.371 1.00 0.00 C ATOM 1052 CD LYS A 423 -0.260 24.937 -2.818 1.00 0.00 C ATOM 1053 CE LYS A 423 -1.227 25.015 -1.642 1.00 0.00 C ATOM 1054 NZ LYS A 423 -1.402 23.701 -0.964 1.00 0.00 N ATOM 0 H LYS A 423 3.527 20.909 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 423 3.420 23.117 -2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 423 1.073 22.497 -2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 423 0.513 22.908 -1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 423 1.437 25.230 -1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 423 1.851 24.796 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -0.250 25.892 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -0.611 24.187 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -0.861 25.747 -0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -2.195 25.371 -1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -2.357 23.645 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -1.275 22.934 -1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -0.696 23.605 -0.206 1.00 0.00 H new ATOM 1068 N THR A 424 3.867 22.982 0.704 1.00 0.00 N ATOM 1069 CA THR A 424 4.174 23.539 2.016 1.00 0.00 C ATOM 1070 C THR A 424 4.639 24.987 1.907 1.00 0.00 C ATOM 1071 O THR A 424 5.371 25.347 0.984 1.00 0.00 O ATOM 1072 CB THR A 424 5.256 22.715 2.742 1.00 0.00 C ATOM 1073 OG1 THR A 424 5.544 23.302 4.016 1.00 0.00 O ATOM 1074 CG2 THR A 424 6.531 22.637 1.916 1.00 0.00 C ATOM 0 H THR A 424 4.485 22.225 0.412 1.00 0.00 H new ATOM 0 HA THR A 424 3.252 23.501 2.596 1.00 0.00 H new ATOM 0 HB THR A 424 4.874 21.704 2.883 1.00 0.00 H new ATOM 0 HG1 THR A 424 6.231 22.773 4.472 1.00 0.00 H new ATOM 0 HG21 THR A 424 7.277 22.050 2.452 1.00 0.00 H new ATOM 0 HG22 THR A 424 6.316 22.163 0.959 1.00 0.00 H new ATOM 0 HG23 THR A 424 6.915 23.642 1.744 1.00 0.00 H new ATOM 1082 N GLY A 425 4.210 25.813 2.857 1.00 0.00 N ATOM 1083 CA GLY A 425 4.593 27.214 2.853 1.00 0.00 C ATOM 1084 C GLY A 425 4.156 27.938 4.110 1.00 0.00 C ATOM 1085 O GLY A 425 4.209 27.378 5.206 1.00 0.00 O ATOM 0 H GLY A 425 3.604 25.537 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 425 5.675 27.291 2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 425 4.155 27.705 1.984 1.00 0.00 H new ATOM 1089 N ASN A 426 3.725 29.186 3.955 1.00 0.00 N ATOM 1090 CA ASN A 426 3.281 29.985 5.091 1.00 0.00 C ATOM 1091 C ASN A 426 1.990 29.427 5.681 1.00 0.00 C ATOM 1092 O ASN A 426 1.029 29.160 4.959 1.00 0.00 O ATOM 1093 CB ASN A 426 3.074 31.442 4.669 1.00 0.00 C ATOM 1094 CG ASN A 426 4.345 32.077 4.141 1.00 0.00 C ATOM 1095 OD1 ASN A 426 4.901 31.640 3.134 1.00 0.00 O ATOM 1096 ND2 ASN A 426 4.815 33.115 4.825 1.00 0.00 N ATOM 0 H ASN A 426 3.674 29.665 3.056 1.00 0.00 H new ATOM 0 HA ASN A 426 4.056 29.942 5.856 1.00 0.00 H new ATOM 0 HB2 ASN A 426 2.302 31.489 3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 426 2.711 32.016 5.521 1.00 0.00 H new ATOM 0 HD21 ASN A 426 5.669 33.582 4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 426 4.322 33.444 5.655 1.00 0.00 H new ATOM 1103 N THR A 427 1.975 29.257 7.000 1.00 0.00 N ATOM 1104 CA THR A 427 0.802 28.736 7.692 1.00 0.00 C ATOM 1105 C THR A 427 -0.371 29.707 7.590 1.00 0.00 C ATOM 1106 O THR A 427 -1.518 29.293 7.422 1.00 0.00 O ATOM 1107 CB THR A 427 1.099 28.454 9.178 1.00 0.00 C ATOM 1108 OG1 THR A 427 -0.089 28.001 9.840 1.00 0.00 O ATOM 1109 CG2 THR A 427 1.630 29.698 9.875 1.00 0.00 C ATOM 0 H THR A 427 2.763 29.473 7.611 1.00 0.00 H new ATOM 0 HA THR A 427 0.538 27.798 7.203 1.00 0.00 H new ATOM 0 HB THR A 427 1.862 27.677 9.228 1.00 0.00 H new ATOM 0 HG1 THR A 427 0.110 27.823 10.783 1.00 0.00 H new ATOM 0 HG21 THR A 427 1.831 29.471 10.922 1.00 0.00 H new ATOM 0 HG22 THR A 427 2.551 30.021 9.390 1.00 0.00 H new ATOM 0 HG23 THR A 427 0.889 30.494 9.813 1.00 0.00 H new ATOM 1117 N ASN A 428 -0.071 30.999 7.691 1.00 0.00 N ATOM 1118 CA ASN A 428 -1.088 32.036 7.612 1.00 0.00 C ATOM 1119 C ASN A 428 -0.447 33.419 7.644 1.00 0.00 C ATOM 1120 O ASN A 428 -0.859 34.325 6.918 1.00 0.00 O ATOM 1121 CB ASN A 428 -2.088 31.894 8.763 1.00 0.00 C ATOM 1122 CG ASN A 428 -3.208 32.916 8.692 1.00 0.00 C ATOM 1123 OD1 ASN A 428 -2.971 34.121 8.768 1.00 0.00 O ATOM 1124 ND2 ASN A 428 -4.437 32.435 8.546 1.00 0.00 N ATOM 0 H ASN A 428 0.876 31.352 7.829 1.00 0.00 H new ATOM 0 HA ASN A 428 -1.621 31.920 6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 428 -2.515 30.891 8.747 1.00 0.00 H new ATOM 0 HB3 ASN A 428 -1.562 32.002 9.712 1.00 0.00 H new ATOM 0 HD21 ASN A 428 -5.231 33.073 8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 428 -4.587 31.428 8.487 1.00 0.00 H new ATOM 1131 N THR A 429 0.570 33.571 8.486 1.00 0.00 N ATOM 1132 CA THR A 429 1.277 34.838 8.616 1.00 0.00 C ATOM 1133 C THR A 429 2.689 34.619 9.150 1.00 0.00 C ATOM 1134 O THR A 429 2.885 33.923 10.146 1.00 0.00 O ATOM 1135 CB THR A 429 0.526 35.812 9.545 1.00 0.00 C ATOM 1136 OG1 THR A 429 1.281 37.019 9.701 1.00 0.00 O ATOM 1137 CG2 THR A 429 0.277 35.183 10.909 1.00 0.00 C ATOM 0 H THR A 429 0.923 32.829 9.090 1.00 0.00 H new ATOM 0 HA THR A 429 1.331 35.278 7.620 1.00 0.00 H new ATOM 0 HB THR A 429 -0.437 36.041 9.090 1.00 0.00 H new ATOM 0 HG1 THR A 429 0.797 37.634 10.291 1.00 0.00 H new ATOM 0 HG21 THR A 429 -0.254 35.891 11.545 1.00 0.00 H new ATOM 0 HG22 THR A 429 -0.324 34.281 10.790 1.00 0.00 H new ATOM 0 HG23 THR A 429 1.230 34.926 11.370 1.00 0.00 H new ATOM 1145 N THR A 430 3.669 35.213 8.474 1.00 0.00 N ATOM 1146 CA THR A 430 5.064 35.081 8.872 1.00 0.00 C ATOM 1147 C THR A 430 5.465 33.607 8.931 1.00 0.00 C ATOM 1148 O THR A 430 6.090 33.152 9.890 1.00 0.00 O ATOM 1149 CB THR A 430 5.325 35.748 10.239 1.00 0.00 C ATOM 1150 OG1 THR A 430 4.779 37.072 10.245 1.00 0.00 O ATOM 1151 CG2 THR A 430 6.817 35.820 10.536 1.00 0.00 C ATOM 0 H THR A 430 3.520 35.791 7.647 1.00 0.00 H new ATOM 0 HA THR A 430 5.670 35.589 8.122 1.00 0.00 H new ATOM 0 HB THR A 430 4.844 35.144 11.008 1.00 0.00 H new ATOM 0 HG1 THR A 430 4.946 37.491 11.115 1.00 0.00 H new ATOM 0 HG21 THR A 430 6.973 36.294 11.505 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.233 34.813 10.554 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.314 36.404 9.762 1.00 0.00 H new ATOM 1159 N GLY A 431 5.095 32.865 7.892 1.00 0.00 N ATOM 1160 CA GLY A 431 5.417 31.453 7.833 1.00 0.00 C ATOM 1161 C GLY A 431 6.895 31.208 7.623 1.00 0.00 C ATOM 1162 O GLY A 431 7.530 31.876 6.808 1.00 0.00 O ATOM 0 H GLY A 431 4.576 33.219 7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 431 5.099 30.972 8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 431 4.855 30.988 7.022 1.00 0.00 H new ATOM 1166 N SER A 432 7.449 30.251 8.359 1.00 0.00 N ATOM 1167 CA SER A 432 8.864 29.928 8.243 1.00 0.00 C ATOM 1168 C SER A 432 9.195 29.453 6.833 1.00 0.00 C ATOM 1169 O SER A 432 8.799 28.362 6.424 1.00 0.00 O ATOM 1170 CB SER A 432 9.250 28.852 9.260 1.00 0.00 C ATOM 1171 OG SER A 432 10.626 28.531 9.166 1.00 0.00 O ATOM 0 H SER A 432 6.940 29.687 9.040 1.00 0.00 H new ATOM 0 HA SER A 432 9.437 30.832 8.449 1.00 0.00 H new ATOM 0 HB2 SER A 432 9.023 29.201 10.267 1.00 0.00 H new ATOM 0 HB3 SER A 432 8.652 27.956 9.091 1.00 0.00 H new ATOM 0 HG SER A 432 10.847 27.842 9.827 1.00 0.00 H new ATOM 1177 N SER A 433 9.924 30.284 6.094 1.00 0.00 N ATOM 1178 CA SER A 433 10.312 29.954 4.728 1.00 0.00 C ATOM 1179 C SER A 433 11.222 28.730 4.700 1.00 0.00 C ATOM 1180 O SER A 433 10.699 27.608 4.540 1.00 0.00 O ATOM 1181 CB SER A 433 11.014 31.146 4.074 1.00 0.00 C ATOM 1182 OG SER A 433 11.418 30.836 2.751 1.00 0.00 O ATOM 1183 OXT SER A 433 12.452 28.904 4.840 1.00 0.00 O ATOM 0 H SER A 433 10.258 31.191 6.419 1.00 0.00 H new ATOM 0 HA SER A 433 9.408 29.721 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 433 10.343 32.005 4.061 1.00 0.00 H new ATOM 0 HB3 SER A 433 11.884 31.430 4.666 1.00 0.00 H new ATOM 0 HG SER A 433 11.863 31.614 2.354 1.00 0.00 H new TER 1189 SER A 433