USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=28 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 HD1:sc= 0.63 K(o=1.2,f=-3.7!) USER MOD Set 1.2: A 405 THR OG1 : rot 180:sc= 0.572 USER MOD Set 2.1: A 377 THR OG1 : rot -47:sc= 0.887 USER MOD Set 2.2: A 380 SER OG : rot 88:sc= 1.14 USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.00031) USER MOD Single : A 357 MET CE :methyl -142:sc= 0 (180deg=-0.329) USER MOD Single : A 362 THR OG1 : rot -96:sc= 0.275 USER MOD Single : A 363 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 364 LYS NZ :NH3+ -168:sc= -0.0286 (180deg=-0.212) USER MOD Single : A 365 HIS : no HD1:sc= -0.636 K(o=-0.64,f=-1.9!) USER MOD Single : A 366 LYS NZ :NH3+ -133:sc= -0.201 (180deg=-2!) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN :FLIP amide:sc= -1.1! C(o=-5.7!,f=-1.1!) USER MOD Single : A 372 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 373 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 382 ASN :FLIP amide:sc= -3.89 F(o=-8.4!,f=-3.9) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc=-0.00216 X(o=-0.0022,f=0) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -167:sc= -0.0412 (180deg=-0.229) USER MOD Single : A 397 ASN : amide:sc= 0.44 K(o=0.44,f=-3.3!) USER MOD Single : A 401 ASN :FLIP amide:sc= -2.51! C(o=-9!,f=-2.5!) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 LYS NZ :NH3+ 166:sc= -0.0431 (180deg=-0.27) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 136:sc= -2.75! (180deg=-5.73!) USER MOD Single : A 413 LYS NZ :NH3+ 167:sc= -0.0362 (180deg=-0.256) USER MOD Single : A 418 THR OG1 : rot 11:sc= 0.79 USER MOD Single : A 420 LYS NZ :NH3+ 169:sc= -0.0289 (180deg=-0.207) 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 : amide:sc= -0.094 K(o=-0.094,f=-1.4) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN :FLIP amide:sc= -2.37! C(o=-5.1!,f=-2.4!) USER MOD Single : A 429 THR OG1 : rot 38:sc= 0.778 USER MOD Single : A 430 THR OG1 : rot -7:sc= 0.692 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 12.114 -15.553 -21.021 1.00 0.00 N ATOM 2 CA GLY A 354 10.901 -15.165 -20.250 1.00 0.00 C ATOM 3 C GLY A 354 11.180 -15.026 -18.765 1.00 0.00 C ATOM 4 O GLY A 354 12.200 -14.459 -18.372 1.00 0.00 O ATOM 0 HA2 GLY A 354 10.516 -14.221 -20.635 1.00 0.00 H new ATOM 0 HA3 GLY A 354 10.122 -15.912 -20.402 1.00 0.00 H new ATOM 10 N SER A 355 10.269 -15.548 -17.944 1.00 0.00 N ATOM 11 CA SER A 355 10.407 -15.487 -16.489 1.00 0.00 C ATOM 12 C SER A 355 10.368 -14.046 -15.985 1.00 0.00 C ATOM 13 O SER A 355 10.995 -13.158 -16.560 1.00 0.00 O ATOM 14 CB SER A 355 11.710 -16.154 -16.043 1.00 0.00 C ATOM 15 OG SER A 355 11.735 -17.524 -16.409 1.00 0.00 O ATOM 0 H SER A 355 9.423 -16.020 -18.264 1.00 0.00 H new ATOM 0 HA SER A 355 9.562 -16.025 -16.058 1.00 0.00 H new ATOM 0 HB2 SER A 355 12.558 -15.639 -16.493 1.00 0.00 H new ATOM 0 HB3 SER A 355 11.818 -16.061 -14.962 1.00 0.00 H new ATOM 0 HG SER A 355 12.579 -17.926 -16.114 1.00 0.00 H new ATOM 21 N HIS A 356 9.628 -13.823 -14.902 1.00 0.00 N ATOM 22 CA HIS A 356 9.516 -12.491 -14.320 1.00 0.00 C ATOM 23 C HIS A 356 10.885 -11.974 -13.895 1.00 0.00 C ATOM 24 O HIS A 356 11.662 -12.694 -13.267 1.00 0.00 O ATOM 25 CB HIS A 356 8.569 -12.510 -13.116 1.00 0.00 C ATOM 26 CG HIS A 356 7.166 -12.915 -13.451 1.00 0.00 C ATOM 27 ND1 HIS A 356 6.164 -13.000 -12.506 1.00 0.00 N ATOM 28 CD2 HIS A 356 6.594 -13.257 -14.632 1.00 0.00 C ATOM 29 CE1 HIS A 356 5.041 -13.377 -13.089 1.00 0.00 C ATOM 30 NE2 HIS A 356 5.275 -13.539 -14.378 1.00 0.00 N ATOM 0 H HIS A 356 9.099 -14.545 -14.412 1.00 0.00 H new ATOM 0 HA HIS A 356 9.109 -11.822 -15.079 1.00 0.00 H new ATOM 0 HB2 HIS A 356 8.965 -13.195 -12.366 1.00 0.00 H new ATOM 0 HB3 HIS A 356 8.552 -11.518 -12.664 1.00 0.00 H new ATOM 0 HD2 HIS A 356 7.085 -13.300 -15.593 1.00 0.00 H new ATOM 0 HE1 HIS A 356 4.092 -13.527 -12.595 1.00 0.00 H new ATOM 0 HE2 HIS A 356 4.587 -13.827 -15.073 1.00 0.00 H new ATOM 39 N MET A 357 11.175 -10.723 -14.240 1.00 0.00 N ATOM 40 CA MET A 357 12.454 -10.112 -13.894 1.00 0.00 C ATOM 41 C MET A 357 12.294 -8.613 -13.664 1.00 0.00 C ATOM 42 O MET A 357 13.124 -7.815 -14.100 1.00 0.00 O ATOM 43 CB MET A 357 13.486 -10.355 -15.001 1.00 0.00 C ATOM 44 CG MET A 357 13.805 -11.823 -15.239 1.00 0.00 C ATOM 45 SD MET A 357 15.034 -12.065 -16.536 1.00 0.00 S ATOM 46 CE MET A 357 15.163 -13.852 -16.556 1.00 0.00 C ATOM 0 H MET A 357 10.542 -10.113 -14.758 1.00 0.00 H new ATOM 0 HA MET A 357 12.806 -10.575 -12.972 1.00 0.00 H new ATOM 0 HB2 MET A 357 13.117 -9.919 -15.929 1.00 0.00 H new ATOM 0 HB3 MET A 357 14.407 -9.830 -14.746 1.00 0.00 H new ATOM 0 HG2 MET A 357 14.168 -12.267 -14.312 1.00 0.00 H new ATOM 0 HG3 MET A 357 12.890 -12.351 -15.508 1.00 0.00 H new ATOM 0 HE1 MET A 357 16.201 -14.140 -16.720 1.00 0.00 H new ATOM 0 HE2 MET A 357 14.822 -14.252 -15.601 1.00 0.00 H new ATOM 0 HE3 MET A 357 14.545 -14.252 -17.359 1.00 0.00 H new ATOM 56 N LEU A 358 11.221 -8.236 -12.975 1.00 0.00 N ATOM 57 CA LEU A 358 10.954 -6.833 -12.681 1.00 0.00 C ATOM 58 C LEU A 358 11.777 -6.362 -11.485 1.00 0.00 C ATOM 59 O LEU A 358 11.260 -5.695 -10.588 1.00 0.00 O ATOM 60 CB LEU A 358 9.459 -6.611 -12.417 1.00 0.00 C ATOM 61 CG LEU A 358 8.549 -6.766 -13.640 1.00 0.00 C ATOM 62 CD1 LEU A 358 8.545 -8.204 -14.138 1.00 0.00 C ATOM 63 CD2 LEU A 358 7.135 -6.311 -13.313 1.00 0.00 C ATOM 0 H LEU A 358 10.522 -8.883 -12.610 1.00 0.00 H new ATOM 0 HA LEU A 358 11.245 -6.245 -13.552 1.00 0.00 H new ATOM 0 HB2 LEU A 358 9.134 -7.315 -11.651 1.00 0.00 H new ATOM 0 HB3 LEU A 358 9.324 -5.610 -12.008 1.00 0.00 H new ATOM 0 HG LEU A 358 8.942 -6.134 -14.436 1.00 0.00 H new ATOM 0 HD11 LEU A 358 7.891 -8.286 -15.006 1.00 0.00 H new ATOM 0 HD12 LEU A 358 9.558 -8.495 -14.417 1.00 0.00 H new ATOM 0 HD13 LEU A 358 8.183 -8.862 -13.348 1.00 0.00 H new ATOM 0 HD21 LEU A 358 6.502 -6.428 -14.193 1.00 0.00 H new ATOM 0 HD22 LEU A 358 6.738 -6.915 -12.498 1.00 0.00 H new ATOM 0 HD23 LEU A 358 7.150 -5.263 -13.014 1.00 0.00 H new ATOM 75 N GLU A 359 13.062 -6.720 -11.489 1.00 0.00 N ATOM 76 CA GLU A 359 13.993 -6.352 -10.420 1.00 0.00 C ATOM 77 C GLU A 359 13.346 -6.472 -9.041 1.00 0.00 C ATOM 78 O GLU A 359 13.532 -5.613 -8.178 1.00 0.00 O ATOM 79 CB GLU A 359 14.541 -4.934 -10.636 1.00 0.00 C ATOM 80 CG GLU A 359 13.479 -3.846 -10.653 1.00 0.00 C ATOM 81 CD GLU A 359 14.061 -2.466 -10.886 1.00 0.00 C ATOM 82 OE1 GLU A 359 14.876 -2.017 -10.053 1.00 0.00 O ATOM 83 OE2 GLU A 359 13.705 -1.835 -11.904 1.00 0.00 O ATOM 0 H GLU A 359 13.487 -7.273 -12.233 1.00 0.00 H new ATOM 0 HA GLU A 359 14.825 -7.055 -10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 359 15.259 -4.711 -9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 359 15.086 -4.908 -11.580 1.00 0.00 H new ATOM 0 HG2 GLU A 359 12.751 -4.066 -11.434 1.00 0.00 H new ATOM 0 HG3 GLU A 359 12.941 -3.854 -9.705 1.00 0.00 H new ATOM 90 N VAL A 360 12.592 -7.549 -8.838 1.00 0.00 N ATOM 91 CA VAL A 360 11.925 -7.787 -7.562 1.00 0.00 C ATOM 92 C VAL A 360 12.886 -8.394 -6.543 1.00 0.00 C ATOM 93 O VAL A 360 13.645 -9.310 -6.861 1.00 0.00 O ATOM 94 CB VAL A 360 10.708 -8.720 -7.724 1.00 0.00 C ATOM 95 CG1 VAL A 360 9.986 -8.893 -6.396 1.00 0.00 C ATOM 96 CG2 VAL A 360 9.760 -8.186 -8.789 1.00 0.00 C ATOM 0 H VAL A 360 12.428 -8.270 -9.540 1.00 0.00 H new ATOM 0 HA VAL A 360 11.582 -6.817 -7.202 1.00 0.00 H new ATOM 0 HB VAL A 360 11.066 -9.698 -8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 360 9.130 -9.555 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 360 10.668 -9.326 -5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 360 9.642 -7.922 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 360 8.908 -8.859 -8.888 1.00 0.00 H new ATOM 0 HG22 VAL A 360 9.409 -7.196 -8.500 1.00 0.00 H new ATOM 0 HG23 VAL A 360 10.284 -8.121 -9.743 1.00 0.00 H new ATOM 106 N LEU A 361 12.838 -7.880 -5.317 1.00 0.00 N ATOM 107 CA LEU A 361 13.692 -8.367 -4.237 1.00 0.00 C ATOM 108 C LEU A 361 15.170 -8.276 -4.613 1.00 0.00 C ATOM 109 O LEU A 361 15.958 -9.165 -4.288 1.00 0.00 O ATOM 110 CB LEU A 361 13.335 -9.818 -3.892 1.00 0.00 C ATOM 111 CG LEU A 361 11.855 -10.082 -3.602 1.00 0.00 C ATOM 112 CD1 LEU A 361 11.630 -11.553 -3.289 1.00 0.00 C ATOM 113 CD2 LEU A 361 11.366 -9.211 -2.455 1.00 0.00 C ATOM 0 H LEU A 361 12.213 -7.121 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 361 13.520 -7.734 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 361 13.645 -10.456 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 361 13.917 -10.120 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 361 11.281 -9.825 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 361 10.573 -11.724 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 361 11.938 -12.158 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 361 12.218 -11.833 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 361 10.312 -9.415 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 361 11.945 -9.432 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 361 11.490 -8.160 -2.717 1.00 0.00 H new ATOM 125 N THR A 362 15.546 -7.199 -5.298 1.00 0.00 N ATOM 126 CA THR A 362 16.931 -7.005 -5.710 1.00 0.00 C ATOM 127 C THR A 362 17.731 -6.239 -4.660 1.00 0.00 C ATOM 128 O THR A 362 18.558 -5.391 -4.998 1.00 0.00 O ATOM 129 CB THR A 362 17.025 -6.259 -7.052 1.00 0.00 C ATOM 130 OG1 THR A 362 16.318 -5.015 -6.976 1.00 0.00 O ATOM 131 CG2 THR A 362 16.457 -7.105 -8.180 1.00 0.00 C ATOM 0 H THR A 362 14.912 -6.450 -5.578 1.00 0.00 H new ATOM 0 HA THR A 362 17.357 -8.002 -5.825 1.00 0.00 H new ATOM 0 HB THR A 362 18.077 -6.063 -7.260 1.00 0.00 H new ATOM 0 HG1 THR A 362 15.417 -5.128 -7.344 1.00 0.00 H new ATOM 0 HG21 THR A 362 16.534 -6.558 -9.119 1.00 0.00 H new ATOM 0 HG22 THR A 362 17.019 -8.036 -8.255 1.00 0.00 H new ATOM 0 HG23 THR A 362 15.410 -7.329 -7.975 1.00 0.00 H new ATOM 139 N GLN A 363 17.488 -6.545 -3.387 1.00 0.00 N ATOM 140 CA GLN A 363 18.199 -5.886 -2.294 1.00 0.00 C ATOM 141 C GLN A 363 18.092 -4.367 -2.418 1.00 0.00 C ATOM 142 O GLN A 363 19.098 -3.672 -2.577 1.00 0.00 O ATOM 143 CB GLN A 363 19.667 -6.321 -2.286 1.00 0.00 C ATOM 144 CG GLN A 363 20.460 -5.794 -1.099 1.00 0.00 C ATOM 145 CD GLN A 363 21.919 -6.218 -1.122 1.00 0.00 C ATOM 146 OE1 GLN A 363 22.311 -6.971 -2.147 1.00 0.00 O flip ATOM 147 NE2 GLN A 363 22.689 -5.870 -0.227 1.00 0.00 N flip ATOM 0 H GLN A 363 16.807 -7.243 -3.088 1.00 0.00 H new ATOM 0 HA GLN A 363 17.739 -6.182 -1.351 1.00 0.00 H new ATOM 0 HB2 GLN A 363 19.713 -7.410 -2.286 1.00 0.00 H new ATOM 0 HB3 GLN A 363 20.141 -5.982 -3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 363 20.404 -4.705 -1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 363 20.000 -6.147 -0.176 1.00 0.00 H new ATOM 0 HE21 GLN A 363 22.349 -5.292 0.542 1.00 0.00 H new ATOM 0 HE22 GLN A 363 23.667 -6.159 -0.254 1.00 0.00 H new ATOM 156 N LYS A 364 16.864 -3.859 -2.349 1.00 0.00 N ATOM 157 CA LYS A 364 16.614 -2.425 -2.458 1.00 0.00 C ATOM 158 C LYS A 364 15.351 -2.044 -1.698 1.00 0.00 C ATOM 159 O LYS A 364 14.296 -2.651 -1.883 1.00 0.00 O ATOM 160 CB LYS A 364 16.471 -2.012 -3.927 1.00 0.00 C ATOM 161 CG LYS A 364 17.762 -2.106 -4.728 1.00 0.00 C ATOM 162 CD LYS A 364 18.816 -1.132 -4.219 1.00 0.00 C ATOM 163 CE LYS A 364 18.362 0.313 -4.360 1.00 0.00 C ATOM 164 NZ LYS A 364 18.096 0.675 -5.779 1.00 0.00 N ATOM 0 H LYS A 364 16.024 -4.422 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 364 17.465 -1.901 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 364 15.717 -2.642 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 364 16.103 -0.987 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 364 18.150 -3.123 -4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 364 17.554 -1.900 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 364 19.033 -1.345 -3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 364 19.744 -1.278 -4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 364 17.459 0.469 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 364 19.127 0.975 -3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 17.988 1.706 -5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 18.891 0.362 -6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 17.222 0.210 -6.098 1.00 0.00 H new ATOM 178 N HIS A 365 15.470 -1.036 -0.842 1.00 0.00 N ATOM 179 CA HIS A 365 14.343 -0.565 -0.045 1.00 0.00 C ATOM 180 C HIS A 365 13.714 -1.712 0.741 1.00 0.00 C ATOM 181 O HIS A 365 12.520 -1.688 1.039 1.00 0.00 O ATOM 182 CB HIS A 365 13.292 0.096 -0.943 1.00 0.00 C ATOM 183 CG HIS A 365 13.800 1.296 -1.687 1.00 0.00 C ATOM 184 ND1 HIS A 365 13.018 2.027 -2.557 1.00 0.00 N ATOM 185 CD2 HIS A 365 15.016 1.895 -1.686 1.00 0.00 C ATOM 186 CE1 HIS A 365 13.731 3.020 -3.059 1.00 0.00 C ATOM 187 NE2 HIS A 365 14.945 2.962 -2.546 1.00 0.00 N ATOM 0 H HIS A 365 16.339 -0.527 -0.681 1.00 0.00 H new ATOM 0 HA HIS A 365 14.717 0.174 0.664 1.00 0.00 H new ATOM 0 HB2 HIS A 365 12.928 -0.638 -1.662 1.00 0.00 H new ATOM 0 HB3 HIS A 365 12.440 0.393 -0.331 1.00 0.00 H new ATOM 0 HD2 HIS A 365 15.880 1.589 -1.115 1.00 0.00 H new ATOM 0 HE1 HIS A 365 13.380 3.754 -3.769 1.00 0.00 H new ATOM 0 HE2 HIS A 365 15.708 3.606 -2.755 1.00 0.00 H new ATOM 196 N LYS A 366 14.533 -2.710 1.076 1.00 0.00 N ATOM 197 CA LYS A 366 14.076 -3.873 1.834 1.00 0.00 C ATOM 198 C LYS A 366 13.063 -4.686 1.021 1.00 0.00 C ATOM 199 O LYS A 366 12.115 -4.132 0.463 1.00 0.00 O ATOM 200 CB LYS A 366 13.469 -3.422 3.171 1.00 0.00 C ATOM 201 CG LYS A 366 13.327 -4.526 4.211 1.00 0.00 C ATOM 202 CD LYS A 366 12.197 -5.486 3.876 1.00 0.00 C ATOM 203 CE LYS A 366 12.053 -6.567 4.935 1.00 0.00 C ATOM 204 NZ LYS A 366 13.296 -7.374 5.081 1.00 0.00 N ATOM 0 H LYS A 366 15.523 -2.735 0.832 1.00 0.00 H new ATOM 0 HA LYS A 366 14.932 -4.516 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 366 14.089 -2.628 3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 366 12.486 -2.992 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 366 14.263 -5.080 4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 366 13.146 -4.081 5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 366 11.262 -4.933 3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 366 12.385 -5.947 2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 366 11.805 -6.107 5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 366 11.223 -7.223 4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 13.054 -8.385 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 13.932 -7.179 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 13.771 -7.122 5.971 1.00 0.00 H new ATOM 218 N PRO A 367 13.255 -6.017 0.936 1.00 0.00 N ATOM 219 CA PRO A 367 12.360 -6.903 0.181 1.00 0.00 C ATOM 220 C PRO A 367 10.903 -6.784 0.623 1.00 0.00 C ATOM 221 O PRO A 367 10.598 -6.862 1.813 1.00 0.00 O ATOM 222 CB PRO A 367 12.893 -8.312 0.483 1.00 0.00 C ATOM 223 CG PRO A 367 13.806 -8.155 1.646 1.00 0.00 C ATOM 224 CD PRO A 367 14.358 -6.764 1.558 1.00 0.00 C ATOM 0 HA PRO A 367 12.357 -6.653 -0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 367 12.078 -8.998 0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 367 13.421 -8.724 -0.377 1.00 0.00 H new ATOM 0 HG2 PRO A 367 13.271 -8.303 2.584 1.00 0.00 H new ATOM 0 HG3 PRO A 367 14.606 -8.894 1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 367 14.613 -6.367 2.540 1.00 0.00 H new ATOM 0 HD3 PRO A 367 15.264 -6.726 0.954 1.00 0.00 H new ATOM 232 N ALA A 368 10.010 -6.602 -0.347 1.00 0.00 N ATOM 233 CA ALA A 368 8.582 -6.475 -0.066 1.00 0.00 C ATOM 234 C ALA A 368 7.771 -6.429 -1.358 1.00 0.00 C ATOM 235 O ALA A 368 6.920 -5.556 -1.539 1.00 0.00 O ATOM 236 CB ALA A 368 8.313 -5.231 0.769 1.00 0.00 C ATOM 0 H ALA A 368 10.251 -6.539 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 368 8.271 -7.353 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 368 7.245 -5.151 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 368 8.855 -5.302 1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 368 8.647 -4.348 0.224 1.00 0.00 H new ATOM 242 N GLU A 369 8.044 -7.374 -2.255 1.00 0.00 N ATOM 243 CA GLU A 369 7.347 -7.447 -3.535 1.00 0.00 C ATOM 244 C GLU A 369 7.568 -6.167 -4.340 1.00 0.00 C ATOM 245 O GLU A 369 6.627 -5.594 -4.890 1.00 0.00 O ATOM 246 CB GLU A 369 5.849 -7.691 -3.314 1.00 0.00 C ATOM 247 CG GLU A 369 5.082 -8.003 -4.591 1.00 0.00 C ATOM 248 CD GLU A 369 3.606 -8.248 -4.340 1.00 0.00 C ATOM 249 OE1 GLU A 369 2.930 -7.330 -3.830 1.00 0.00 O ATOM 250 OE2 GLU A 369 3.127 -9.358 -4.655 1.00 0.00 O ATOM 0 H GLU A 369 8.745 -8.102 -2.117 1.00 0.00 H new ATOM 0 HA GLU A 369 7.754 -8.284 -4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 369 5.724 -8.518 -2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 369 5.412 -6.809 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 369 5.195 -7.174 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 369 5.517 -8.882 -5.066 1.00 0.00 H new ATOM 257 N SER A 370 8.824 -5.727 -4.395 1.00 0.00 N ATOM 258 CA SER A 370 9.196 -4.516 -5.123 1.00 0.00 C ATOM 259 C SER A 370 8.539 -3.280 -4.514 1.00 0.00 C ATOM 260 O SER A 370 7.335 -3.265 -4.254 1.00 0.00 O ATOM 261 CB SER A 370 8.814 -4.638 -6.600 1.00 0.00 C ATOM 262 OG SER A 370 9.152 -3.463 -7.314 1.00 0.00 O ATOM 0 H SER A 370 9.607 -6.196 -3.940 1.00 0.00 H new ATOM 0 HA SER A 370 10.277 -4.402 -5.044 1.00 0.00 H new ATOM 0 HB2 SER A 370 9.324 -5.494 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 370 7.744 -4.825 -6.688 1.00 0.00 H new ATOM 0 HG SER A 370 8.899 -3.568 -8.255 1.00 0.00 H new ATOM 268 N GLN A 371 9.338 -2.241 -4.292 1.00 0.00 N ATOM 269 CA GLN A 371 8.835 -1.000 -3.718 1.00 0.00 C ATOM 270 C GLN A 371 7.879 -0.305 -4.682 1.00 0.00 C ATOM 271 O GLN A 371 8.176 -0.158 -5.868 1.00 0.00 O ATOM 272 CB GLN A 371 9.989 -0.059 -3.352 1.00 0.00 C ATOM 273 CG GLN A 371 10.920 0.263 -4.513 1.00 0.00 C ATOM 274 CD GLN A 371 11.938 -0.831 -4.792 1.00 0.00 C ATOM 275 OE1 GLN A 371 12.031 -1.811 -3.897 1.00 0.00 O flip ATOM 276 NE2 GLN A 371 12.650 -0.785 -5.795 1.00 0.00 N flip ATOM 0 H GLN A 371 10.336 -2.235 -4.501 1.00 0.00 H new ATOM 0 HA GLN A 371 8.290 -1.251 -2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 371 9.576 0.871 -2.963 1.00 0.00 H new ATOM 0 HB3 GLN A 371 10.571 -0.510 -2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 371 10.325 0.432 -5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 371 11.447 1.193 -4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 371 12.548 -0.017 -6.458 1.00 0.00 H new ATOM 0 HE22 GLN A 371 13.342 -1.515 -5.963 1.00 0.00 H new ATOM 285 N GLN A 372 6.731 0.123 -4.165 1.00 0.00 N ATOM 286 CA GLN A 372 5.731 0.804 -4.981 1.00 0.00 C ATOM 287 C GLN A 372 4.836 1.690 -4.117 1.00 0.00 C ATOM 288 O GLN A 372 4.316 1.250 -3.091 1.00 0.00 O ATOM 289 CB GLN A 372 4.881 -0.219 -5.738 1.00 0.00 C ATOM 290 CG GLN A 372 3.819 0.411 -6.628 1.00 0.00 C ATOM 291 CD GLN A 372 2.990 -0.613 -7.385 1.00 0.00 C ATOM 292 OE1 GLN A 372 3.252 -1.896 -7.149 1.00 0.00 O flip ATOM 293 NE2 GLN A 372 2.114 -0.254 -8.173 1.00 0.00 N flip ATOM 0 H GLN A 372 6.470 0.010 -3.185 1.00 0.00 H new ATOM 0 HA GLN A 372 6.251 1.437 -5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 372 5.535 -0.840 -6.350 1.00 0.00 H new ATOM 0 HB3 GLN A 372 4.396 -0.879 -5.019 1.00 0.00 H new ATOM 0 HG2 GLN A 372 3.157 1.024 -6.016 1.00 0.00 H new ATOM 0 HG3 GLN A 372 4.301 1.078 -7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 372 1.943 0.740 -8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 372 1.560 -0.950 -8.671 1.00 0.00 H new ATOM 302 N GLN A 373 4.664 2.938 -4.540 1.00 0.00 N ATOM 303 CA GLN A 373 3.833 3.887 -3.810 1.00 0.00 C ATOM 304 C GLN A 373 2.364 3.477 -3.855 1.00 0.00 C ATOM 305 O GLN A 373 1.859 3.060 -4.897 1.00 0.00 O ATOM 306 CB GLN A 373 4.003 5.295 -4.387 1.00 0.00 C ATOM 307 CG GLN A 373 3.216 6.358 -3.638 1.00 0.00 C ATOM 308 CD GLN A 373 3.425 7.748 -4.207 1.00 0.00 C ATOM 309 OE1 GLN A 373 3.136 8.001 -5.377 1.00 0.00 O ATOM 310 NE2 GLN A 373 3.929 8.656 -3.380 1.00 0.00 N ATOM 0 H GLN A 373 5.090 3.316 -5.386 1.00 0.00 H new ATOM 0 HA GLN A 373 4.156 3.887 -2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 373 5.060 5.560 -4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 373 3.690 5.291 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 373 2.155 6.111 -3.673 1.00 0.00 H new ATOM 0 HG3 GLN A 373 3.511 6.351 -2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 373 4.154 8.401 -2.418 1.00 0.00 H new ATOM 0 HE22 GLN A 373 4.092 9.609 -3.706 1.00 0.00 H new ATOM 319 N ALA A 374 1.686 3.601 -2.718 1.00 0.00 N ATOM 320 CA ALA A 374 0.276 3.244 -2.628 1.00 0.00 C ATOM 321 C ALA A 374 -0.561 4.075 -3.593 1.00 0.00 C ATOM 322 O ALA A 374 -0.378 5.288 -3.702 1.00 0.00 O ATOM 323 CB ALA A 374 -0.224 3.426 -1.203 1.00 0.00 C ATOM 0 H ALA A 374 2.091 3.946 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 374 0.173 2.195 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 374 -1.279 3.156 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 374 0.349 2.786 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 374 -0.101 4.467 -0.904 1.00 0.00 H new ATOM 329 N ALA A 375 -1.478 3.414 -4.291 1.00 0.00 N ATOM 330 CA ALA A 375 -2.345 4.092 -5.246 1.00 0.00 C ATOM 331 C ALA A 375 -3.550 4.692 -4.549 1.00 0.00 C ATOM 332 O ALA A 375 -4.697 4.401 -4.885 1.00 0.00 O ATOM 333 CB ALA A 375 -2.772 3.141 -6.354 1.00 0.00 C ATOM 0 H ALA A 375 -1.640 2.410 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 375 -1.781 4.907 -5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.419 3.667 -7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.890 2.774 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -3.314 2.299 -5.922 1.00 0.00 H new ATOM 339 N GLU A 376 -3.260 5.532 -3.574 1.00 0.00 N ATOM 340 CA GLU A 376 -4.284 6.206 -2.794 1.00 0.00 C ATOM 341 C GLU A 376 -5.110 7.157 -3.648 1.00 0.00 C ATOM 342 O GLU A 376 -4.906 8.372 -3.628 1.00 0.00 O ATOM 343 CB GLU A 376 -3.636 6.968 -1.643 1.00 0.00 C ATOM 344 CG GLU A 376 -2.325 7.633 -2.036 1.00 0.00 C ATOM 345 CD GLU A 376 -1.874 8.682 -1.038 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.587 8.894 -0.034 1.00 0.00 O ATOM 347 OE2 GLU A 376 -0.808 9.293 -1.259 1.00 0.00 O ATOM 0 H GLU A 376 -2.307 5.768 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 376 -4.959 5.446 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.329 7.728 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.456 6.282 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -1.551 6.871 -2.130 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.438 8.096 -3.016 1.00 0.00 H new ATOM 354 N THR A 377 -6.057 6.590 -4.378 1.00 0.00 N ATOM 355 CA THR A 377 -6.947 7.359 -5.232 1.00 0.00 C ATOM 356 C THR A 377 -8.271 6.635 -5.388 1.00 0.00 C ATOM 357 O THR A 377 -8.310 5.408 -5.472 1.00 0.00 O ATOM 358 CB THR A 377 -6.353 7.614 -6.629 1.00 0.00 C ATOM 359 OG1 THR A 377 -5.960 6.375 -7.230 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.161 8.556 -6.561 1.00 0.00 C ATOM 0 H THR A 377 -6.230 5.585 -4.395 1.00 0.00 H new ATOM 0 HA THR A 377 -7.091 8.324 -4.746 1.00 0.00 H new ATOM 0 HB THR A 377 -7.123 8.085 -7.239 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.456 5.842 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.765 8.715 -7.564 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.475 9.511 -6.139 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.387 8.118 -5.931 1.00 0.00 H new ATOM 368 N GLU A 378 -9.351 7.399 -5.413 1.00 0.00 N ATOM 369 CA GLU A 378 -10.684 6.828 -5.546 1.00 0.00 C ATOM 370 C GLU A 378 -10.741 5.911 -6.753 1.00 0.00 C ATOM 371 O GLU A 378 -11.335 4.835 -6.712 1.00 0.00 O ATOM 372 CB GLU A 378 -11.720 7.939 -5.696 1.00 0.00 C ATOM 373 CG GLU A 378 -13.158 7.450 -5.627 1.00 0.00 C ATOM 374 CD GLU A 378 -14.167 8.573 -5.773 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.742 9.738 -5.926 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.382 8.289 -5.732 1.00 0.00 O ATOM 0 H GLU A 378 -9.332 8.416 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.907 6.251 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.560 8.680 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.563 8.443 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.325 6.713 -6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.320 6.943 -4.675 1.00 0.00 H new ATOM 383 N GLY A 379 -10.122 6.365 -7.827 1.00 0.00 N ATOM 384 CA GLY A 379 -10.104 5.605 -9.057 1.00 0.00 C ATOM 385 C GLY A 379 -9.427 4.256 -8.933 1.00 0.00 C ATOM 386 O GLY A 379 -9.870 3.287 -9.544 1.00 0.00 O ATOM 0 H GLY A 379 -9.626 7.255 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.129 5.457 -9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.595 6.187 -9.825 1.00 0.00 H new ATOM 390 N SER A 380 -8.348 4.181 -8.163 1.00 0.00 N ATOM 391 CA SER A 380 -7.629 2.922 -8.004 1.00 0.00 C ATOM 392 C SER A 380 -8.369 1.961 -7.076 1.00 0.00 C ATOM 393 O SER A 380 -8.508 0.774 -7.375 1.00 0.00 O ATOM 394 CB SER A 380 -6.226 3.180 -7.469 1.00 0.00 C ATOM 395 OG SER A 380 -5.474 3.981 -8.364 1.00 0.00 O ATOM 0 H SER A 380 -7.955 4.967 -7.644 1.00 0.00 H new ATOM 0 HA SER A 380 -7.563 2.456 -8.987 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.289 3.675 -6.500 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.715 2.231 -7.310 1.00 0.00 H new ATOM 0 HG SER A 380 -5.629 4.928 -8.165 1.00 0.00 H new ATOM 401 N CYS A 381 -8.822 2.484 -5.947 1.00 0.00 N ATOM 402 CA CYS A 381 -9.526 1.683 -4.949 1.00 0.00 C ATOM 403 C CYS A 381 -10.782 1.025 -5.508 1.00 0.00 C ATOM 404 O CYS A 381 -10.981 -0.180 -5.348 1.00 0.00 O ATOM 405 CB CYS A 381 -9.890 2.558 -3.753 1.00 0.00 C ATOM 406 SG CYS A 381 -8.457 3.337 -2.949 1.00 0.00 S ATOM 0 H CYS A 381 -8.715 3.467 -5.695 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.853 0.883 -4.640 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.578 3.337 -4.081 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.421 1.951 -3.019 1.00 0.00 H new ATOM 411 N ASN A 382 -11.632 1.818 -6.147 1.00 0.00 N ATOM 412 CA ASN A 382 -12.876 1.306 -6.713 1.00 0.00 C ATOM 413 C ASN A 382 -12.613 0.121 -7.635 1.00 0.00 C ATOM 414 O ASN A 382 -13.478 -0.736 -7.824 1.00 0.00 O ATOM 415 CB ASN A 382 -13.610 2.406 -7.483 1.00 0.00 C ATOM 416 CG ASN A 382 -13.920 3.626 -6.634 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.512 3.599 -5.369 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.521 4.588 -7.112 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.484 2.817 -6.287 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.502 0.970 -5.886 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.004 2.710 -8.336 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.541 2.002 -7.881 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.818 4.570 -8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.722 5.403 -6.532 1.00 0.00 H new ATOM 425 N LYS A 383 -11.423 0.090 -8.219 1.00 0.00 N ATOM 426 CA LYS A 383 -11.052 -0.975 -9.139 1.00 0.00 C ATOM 427 C LYS A 383 -10.460 -2.181 -8.411 1.00 0.00 C ATOM 428 O LYS A 383 -10.630 -3.319 -8.849 1.00 0.00 O ATOM 429 CB LYS A 383 -10.055 -0.445 -10.166 1.00 0.00 C ATOM 430 CG LYS A 383 -10.534 0.811 -10.877 1.00 0.00 C ATOM 431 CD LYS A 383 -11.810 0.565 -11.669 1.00 0.00 C ATOM 432 CE LYS A 383 -11.601 -0.460 -12.773 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.848 -0.704 -13.547 1.00 0.00 N ATOM 0 H LYS A 383 -10.697 0.792 -8.071 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.959 -1.310 -9.642 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.109 -0.234 -9.668 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.859 -1.221 -10.906 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.708 1.599 -10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.753 1.168 -11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.595 0.219 -10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.154 1.503 -12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.818 -0.113 -13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.255 -1.397 -12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.663 -1.408 -14.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.589 -1.059 -12.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.165 0.185 -13.984 1.00 0.00 H new ATOM 447 N LYS A 384 -9.743 -1.930 -7.320 1.00 0.00 N ATOM 448 CA LYS A 384 -9.111 -2.995 -6.567 1.00 0.00 C ATOM 449 C LYS A 384 -10.110 -3.978 -5.991 1.00 0.00 C ATOM 450 O LYS A 384 -11.261 -3.642 -5.710 1.00 0.00 O ATOM 451 CB LYS A 384 -8.257 -2.418 -5.450 1.00 0.00 C ATOM 452 CG LYS A 384 -7.090 -1.633 -5.980 1.00 0.00 C ATOM 453 CD LYS A 384 -6.214 -2.489 -6.848 1.00 0.00 C ATOM 454 CE LYS A 384 -5.706 -1.673 -8.002 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.322 -1.171 -7.776 1.00 0.00 N ATOM 0 H LYS A 384 -9.588 -0.996 -6.942 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.483 -3.544 -7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.871 -1.774 -4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.892 -3.228 -4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.452 -0.779 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.507 -1.236 -5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.378 -2.879 -6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.775 -3.348 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.727 -2.278 -8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.374 -0.828 -8.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -4.016 -0.614 -8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.305 -0.571 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.678 -1.977 -7.644 1.00 0.00 H new ATOM 469 N ASP A 385 -9.630 -5.192 -5.806 1.00 0.00 N ATOM 470 CA ASP A 385 -10.431 -6.271 -5.239 1.00 0.00 C ATOM 471 C ASP A 385 -10.336 -6.243 -3.721 1.00 0.00 C ATOM 472 O ASP A 385 -9.606 -5.431 -3.161 1.00 0.00 O ATOM 473 CB ASP A 385 -9.966 -7.629 -5.768 1.00 0.00 C ATOM 474 CG ASP A 385 -10.114 -7.748 -7.272 1.00 0.00 C ATOM 475 OD1 ASP A 385 -9.513 -6.927 -7.996 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.829 -8.665 -7.727 1.00 0.00 O ATOM 0 H ASP A 385 -8.676 -5.463 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.469 -6.124 -5.538 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.922 -7.783 -5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.541 -8.419 -5.286 1.00 0.00 H new ATOM 481 N GLN A 386 -11.069 -7.132 -3.059 1.00 0.00 N ATOM 482 CA GLN A 386 -11.056 -7.196 -1.598 1.00 0.00 C ATOM 483 C GLN A 386 -9.627 -7.179 -1.064 1.00 0.00 C ATOM 484 O GLN A 386 -9.265 -6.324 -0.257 1.00 0.00 O ATOM 485 CB GLN A 386 -11.778 -8.459 -1.121 1.00 0.00 C ATOM 486 CG GLN A 386 -11.807 -8.611 0.393 1.00 0.00 C ATOM 487 CD GLN A 386 -12.520 -9.875 0.836 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.118 -10.984 0.486 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.586 -9.710 1.611 1.00 0.00 N ATOM 0 H GLN A 386 -11.678 -7.817 -3.507 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.576 -6.319 -1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.801 -8.445 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.291 -9.332 -1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.786 -8.621 0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.302 -7.745 0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.883 -8.771 1.876 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.107 -10.522 1.941 1.00 0.00 H new ATOM 498 N ASN A 387 -8.820 -8.124 -1.529 1.00 0.00 N ATOM 499 CA ASN A 387 -7.439 -8.224 -1.115 1.00 0.00 C ATOM 500 C ASN A 387 -6.630 -7.031 -1.614 1.00 0.00 C ATOM 501 O ASN A 387 -5.695 -6.581 -0.951 1.00 0.00 O ATOM 502 CB ASN A 387 -6.850 -9.520 -1.656 1.00 0.00 C ATOM 503 CG ASN A 387 -7.595 -10.744 -1.164 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.684 -10.991 0.038 1.00 0.00 O ATOM 505 ND2 ASN A 387 -8.136 -11.517 -2.096 1.00 0.00 N ATOM 0 H ASN A 387 -9.109 -8.836 -2.200 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.396 -8.224 -0.026 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -6.872 -9.499 -2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -5.804 -9.592 -1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -8.651 -12.355 -1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -8.037 -11.273 -3.081 1.00 0.00 H new ATOM 512 N GLU A 388 -6.993 -6.530 -2.792 1.00 0.00 N ATOM 513 CA GLU A 388 -6.299 -5.395 -3.388 1.00 0.00 C ATOM 514 C GLU A 388 -6.700 -4.086 -2.725 1.00 0.00 C ATOM 515 O GLU A 388 -6.018 -3.074 -2.887 1.00 0.00 O ATOM 516 CB GLU A 388 -6.563 -5.333 -4.892 1.00 0.00 C ATOM 517 CG GLU A 388 -6.044 -6.546 -5.648 1.00 0.00 C ATOM 518 CD GLU A 388 -6.232 -6.424 -7.148 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.699 -5.460 -7.736 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.907 -7.296 -7.734 1.00 0.00 O ATOM 0 H GLU A 388 -7.764 -6.893 -3.352 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.231 -5.538 -3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.636 -5.241 -5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.098 -4.435 -5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.985 -6.680 -5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.559 -7.438 -5.293 1.00 0.00 H new ATOM 527 N CYS A 389 -7.799 -4.104 -1.972 1.00 0.00 N ATOM 528 CA CYS A 389 -8.254 -2.904 -1.287 1.00 0.00 C ATOM 529 C CYS A 389 -7.131 -2.416 -0.380 1.00 0.00 C ATOM 530 O CYS A 389 -6.905 -2.958 0.702 1.00 0.00 O ATOM 531 CB CYS A 389 -9.531 -3.195 -0.489 1.00 0.00 C ATOM 532 SG CYS A 389 -10.456 -1.707 0.023 1.00 0.00 S ATOM 0 H CYS A 389 -8.382 -4.928 -1.824 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.497 -2.125 -2.010 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.185 -3.825 -1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.267 -3.767 0.400 1.00 0.00 H new ATOM 537 N LYS A 390 -6.395 -1.423 -0.866 1.00 0.00 N ATOM 538 CA LYS A 390 -5.244 -0.886 -0.148 1.00 0.00 C ATOM 539 C LYS A 390 -5.634 -0.120 1.111 1.00 0.00 C ATOM 540 O LYS A 390 -6.787 0.272 1.291 1.00 0.00 O ATOM 541 CB LYS A 390 -4.427 0.001 -1.083 1.00 0.00 C ATOM 542 CG LYS A 390 -3.838 -0.741 -2.281 1.00 0.00 C ATOM 543 CD LYS A 390 -2.557 -1.490 -1.930 1.00 0.00 C ATOM 544 CE LYS A 390 -2.827 -2.737 -1.103 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.570 -3.454 -0.753 1.00 0.00 N ATOM 0 H LYS A 390 -6.577 -0.970 -1.762 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.642 -1.732 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.060 0.811 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.616 0.459 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.574 -1.447 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.632 -0.029 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.039 -1.770 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -1.891 -0.827 -1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.353 -2.460 -0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.484 -3.406 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.797 -4.298 -0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.080 -3.741 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.954 -2.824 -0.201 1.00 0.00 H new ATOM 559 N SER A 391 -4.645 0.069 1.987 1.00 0.00 N ATOM 560 CA SER A 391 -4.839 0.769 3.254 1.00 0.00 C ATOM 561 C SER A 391 -5.551 2.106 3.060 1.00 0.00 C ATOM 562 O SER A 391 -6.533 2.386 3.748 1.00 0.00 O ATOM 563 CB SER A 391 -3.494 0.987 3.952 1.00 0.00 C ATOM 564 OG SER A 391 -3.662 1.659 5.189 1.00 0.00 O ATOM 0 H SER A 391 -3.691 -0.259 1.837 1.00 0.00 H new ATOM 0 HA SER A 391 -5.473 0.142 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.008 0.026 4.120 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.836 1.568 3.306 1.00 0.00 H new ATOM 0 HG SER A 391 -2.788 1.784 5.615 1.00 0.00 H new ATOM 570 N PRO A 392 -5.091 2.956 2.117 1.00 0.00 N ATOM 571 CA PRO A 392 -5.725 4.246 1.855 1.00 0.00 C ATOM 572 C PRO A 392 -7.202 4.066 1.535 1.00 0.00 C ATOM 573 O PRO A 392 -8.032 4.927 1.832 1.00 0.00 O ATOM 574 CB PRO A 392 -4.959 4.780 0.636 1.00 0.00 C ATOM 575 CG PRO A 392 -4.290 3.594 0.048 1.00 0.00 C ATOM 576 CD PRO A 392 -3.945 2.739 1.216 1.00 0.00 C ATOM 0 HA PRO A 392 -5.686 4.922 2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.635 5.247 -0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.232 5.538 0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.948 3.071 -0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.399 3.879 -0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.842 1.691 0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.004 3.040 1.676 1.00 0.00 H new ATOM 584 N CYS A 393 -7.512 2.927 0.926 1.00 0.00 N ATOM 585 CA CYS A 393 -8.878 2.591 0.554 1.00 0.00 C ATOM 586 C CYS A 393 -9.649 2.042 1.751 1.00 0.00 C ATOM 587 O CYS A 393 -9.077 1.391 2.625 1.00 0.00 O ATOM 588 CB CYS A 393 -8.876 1.544 -0.555 1.00 0.00 C ATOM 589 SG CYS A 393 -7.646 1.835 -1.866 1.00 0.00 S ATOM 0 H CYS A 393 -6.826 2.214 0.678 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.364 3.502 0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.692 0.565 -0.113 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.868 1.509 -1.006 1.00 0.00 H new ATOM 594 N LYS A 394 -10.952 2.289 1.770 1.00 0.00 N ATOM 595 CA LYS A 394 -11.811 1.800 2.841 1.00 0.00 C ATOM 596 C LYS A 394 -12.670 0.646 2.344 1.00 0.00 C ATOM 597 O LYS A 394 -13.383 0.774 1.349 1.00 0.00 O ATOM 598 CB LYS A 394 -12.702 2.921 3.377 1.00 0.00 C ATOM 599 CG LYS A 394 -11.937 4.014 4.107 1.00 0.00 C ATOM 600 CD LYS A 394 -11.282 3.494 5.377 1.00 0.00 C ATOM 601 CE LYS A 394 -12.317 2.998 6.369 1.00 0.00 C ATOM 602 NZ LYS A 394 -13.245 4.081 6.796 1.00 0.00 N ATOM 0 H LYS A 394 -11.439 2.827 1.053 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.175 1.446 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -13.250 3.366 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.441 2.493 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.174 4.426 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.617 4.829 4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -10.596 2.684 5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -10.689 4.286 5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.889 2.186 5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -11.813 2.587 7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -13.788 3.766 7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.697 4.930 7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -13.899 4.305 6.019 1.00 0.00 H new ATOM 616 N TRP A 395 -12.594 -0.482 3.039 1.00 0.00 N ATOM 617 CA TRP A 395 -13.362 -1.657 2.657 1.00 0.00 C ATOM 618 C TRP A 395 -14.820 -1.520 3.084 1.00 0.00 C ATOM 619 O TRP A 395 -15.114 -0.999 4.161 1.00 0.00 O ATOM 620 CB TRP A 395 -12.756 -2.921 3.268 1.00 0.00 C ATOM 621 CG TRP A 395 -13.379 -4.180 2.750 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.884 -5.211 3.487 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.561 -4.540 1.375 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.372 -6.190 2.656 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.183 -5.802 1.355 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.257 -3.920 0.159 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.509 -6.451 0.166 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.581 -4.566 -1.018 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.200 -5.821 -1.007 1.00 0.00 C ATOM 0 H TRP A 395 -12.011 -0.607 3.866 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.326 -1.739 1.571 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.686 -2.940 3.061 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.871 -2.885 4.351 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.898 -5.252 4.566 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.804 -7.063 2.958 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.777 -2.953 0.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.989 -7.418 0.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.353 -4.095 -1.963 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.438 -6.302 -1.944 1.00 0.00 H new ATOM 640 N HIS A 396 -15.728 -1.992 2.237 1.00 0.00 N ATOM 641 CA HIS A 396 -17.153 -1.924 2.533 1.00 0.00 C ATOM 642 C HIS A 396 -17.785 -3.311 2.461 1.00 0.00 C ATOM 643 O HIS A 396 -17.791 -3.950 1.406 1.00 0.00 O ATOM 644 CB HIS A 396 -17.854 -0.976 1.557 1.00 0.00 C ATOM 645 CG HIS A 396 -17.316 0.420 1.597 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.342 1.206 2.729 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.728 1.169 0.635 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.795 2.377 2.462 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.413 2.381 1.197 1.00 0.00 N ATOM 0 H HIS A 396 -15.503 -2.425 1.341 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.274 -1.540 3.546 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.753 -1.368 0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.920 -0.954 1.785 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.541 0.869 -0.385 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.679 3.194 3.159 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -15.958 3.158 0.717 1.00 0.00 H new ATOM 658 N ASN A 397 -18.311 -3.767 3.595 1.00 0.00 N ATOM 659 CA ASN A 397 -18.947 -5.077 3.681 1.00 0.00 C ATOM 660 C ASN A 397 -20.434 -4.992 3.356 1.00 0.00 C ATOM 661 O ASN A 397 -21.098 -4.012 3.696 1.00 0.00 O ATOM 662 CB ASN A 397 -18.756 -5.668 5.078 1.00 0.00 C ATOM 663 CG ASN A 397 -19.363 -4.799 6.162 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.986 -3.639 6.329 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.310 -5.357 6.907 1.00 0.00 N ATOM 0 H ASN A 397 -18.309 -3.245 4.471 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.472 -5.727 2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.208 -6.659 5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.691 -5.796 5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.755 -4.821 7.652 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.592 -6.322 6.734 1.00 0.00 H new ATOM 672 N ASP A 398 -20.949 -6.027 2.697 1.00 0.00 N ATOM 673 CA ASP A 398 -22.359 -6.083 2.324 1.00 0.00 C ATOM 674 C ASP A 398 -22.743 -4.892 1.452 1.00 0.00 C ATOM 675 O ASP A 398 -23.876 -4.413 1.500 1.00 0.00 O ATOM 676 CB ASP A 398 -23.240 -6.120 3.576 1.00 0.00 C ATOM 677 CG ASP A 398 -22.963 -7.332 4.446 1.00 0.00 C ATOM 678 OD1 ASP A 398 -22.079 -8.137 4.084 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.630 -7.474 5.493 1.00 0.00 O ATOM 0 H ASP A 398 -20.407 -6.842 2.409 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.518 -6.995 1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.076 -5.213 4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.289 -6.122 3.278 1.00 0.00 H new ATOM 684 N ALA A 399 -21.793 -4.426 0.648 1.00 0.00 N ATOM 685 CA ALA A 399 -22.031 -3.300 -0.246 1.00 0.00 C ATOM 686 C ALA A 399 -22.635 -3.771 -1.561 1.00 0.00 C ATOM 687 O ALA A 399 -22.143 -3.433 -2.639 1.00 0.00 O ATOM 688 CB ALA A 399 -20.740 -2.549 -0.496 1.00 0.00 C ATOM 0 H ALA A 399 -20.850 -4.812 0.598 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.742 -2.626 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.931 -1.710 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.347 -2.176 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.012 -3.219 -0.953 1.00 0.00 H new ATOM 694 N GLU A 400 -23.691 -4.572 -1.448 1.00 0.00 N ATOM 695 CA GLU A 400 -24.389 -5.138 -2.600 1.00 0.00 C ATOM 696 C GLU A 400 -23.612 -6.324 -3.159 1.00 0.00 C ATOM 697 O GLU A 400 -24.201 -7.315 -3.593 1.00 0.00 O ATOM 698 CB GLU A 400 -24.614 -4.086 -3.692 1.00 0.00 C ATOM 699 CG GLU A 400 -25.421 -2.885 -3.225 1.00 0.00 C ATOM 700 CD GLU A 400 -26.816 -3.260 -2.765 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.585 -3.806 -3.585 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.140 -3.010 -1.585 1.00 0.00 O ATOM 0 H GLU A 400 -24.089 -4.848 -0.550 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.367 -5.482 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.647 -3.743 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.126 -4.552 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.893 -2.394 -2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.493 -2.163 -4.038 1.00 0.00 H new ATOM 709 N ASN A 401 -22.285 -6.218 -3.134 1.00 0.00 N ATOM 710 CA ASN A 401 -21.418 -7.280 -3.626 1.00 0.00 C ATOM 711 C ASN A 401 -19.949 -6.922 -3.414 1.00 0.00 C ATOM 712 O ASN A 401 -19.129 -7.043 -4.325 1.00 0.00 O ATOM 713 CB ASN A 401 -21.701 -7.559 -5.103 1.00 0.00 C ATOM 714 CG ASN A 401 -21.456 -6.360 -6.008 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.106 -5.220 -5.424 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.588 -6.461 -7.228 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.788 -5.403 -2.776 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.629 -8.186 -3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.075 -8.387 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.737 -7.880 -5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.858 -7.354 -7.640 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.427 -5.651 -7.827 1.00 0.00 H new ATOM 723 N LYS A 402 -19.635 -6.480 -2.194 1.00 0.00 N ATOM 724 CA LYS A 402 -18.273 -6.094 -1.819 1.00 0.00 C ATOM 725 C LYS A 402 -17.830 -4.853 -2.594 1.00 0.00 C ATOM 726 O LYS A 402 -17.917 -4.813 -3.821 1.00 0.00 O ATOM 727 CB LYS A 402 -17.297 -7.251 -2.077 1.00 0.00 C ATOM 728 CG LYS A 402 -17.850 -8.624 -1.703 1.00 0.00 C ATOM 729 CD LYS A 402 -18.219 -8.718 -0.228 1.00 0.00 C ATOM 730 CE LYS A 402 -16.990 -8.663 0.665 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.340 -8.824 2.104 1.00 0.00 N ATOM 0 H LYS A 402 -20.315 -6.380 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.268 -5.859 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.025 -7.255 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.381 -7.073 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.731 -8.836 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.109 -9.388 -1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -18.893 -7.902 0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.759 -9.647 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -16.293 -9.448 0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -16.479 -7.711 0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -16.474 -8.781 2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.985 -8.061 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -17.805 -9.743 2.247 1.00 0.00 H new ATOM 745 N LYS A 403 -17.365 -3.832 -1.871 1.00 0.00 N ATOM 746 CA LYS A 403 -16.928 -2.590 -2.504 1.00 0.00 C ATOM 747 C LYS A 403 -15.742 -1.958 -1.776 1.00 0.00 C ATOM 748 O LYS A 403 -15.644 -2.015 -0.552 1.00 0.00 O ATOM 749 CB LYS A 403 -18.085 -1.594 -2.546 1.00 0.00 C ATOM 750 CG LYS A 403 -19.220 -2.020 -3.458 1.00 0.00 C ATOM 751 CD LYS A 403 -18.838 -1.884 -4.923 1.00 0.00 C ATOM 752 CE LYS A 403 -19.974 -2.306 -5.841 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.205 -1.499 -5.615 1.00 0.00 N ATOM 0 H LYS A 403 -17.282 -3.842 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.606 -2.837 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.473 -1.458 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.708 -0.626 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.490 -3.054 -3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.101 -1.412 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.565 -0.850 -5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -17.958 -2.494 -5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.658 -2.202 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.197 -3.361 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.867 -1.648 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.654 -1.793 -4.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.954 -0.491 -5.559 1.00 0.00 H new ATOM 767 N CYS A 404 -14.853 -1.340 -2.553 1.00 0.00 N ATOM 768 CA CYS A 404 -13.670 -0.671 -2.015 1.00 0.00 C ATOM 769 C CYS A 404 -13.548 0.725 -2.622 1.00 0.00 C ATOM 770 O CYS A 404 -13.598 0.879 -3.841 1.00 0.00 O ATOM 771 CB CYS A 404 -12.410 -1.489 -2.325 1.00 0.00 C ATOM 772 SG CYS A 404 -10.857 -0.741 -1.728 1.00 0.00 S ATOM 0 H CYS A 404 -14.932 -1.289 -3.569 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.773 -0.585 -0.933 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.516 -2.479 -1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.340 -1.630 -3.404 1.00 0.00 H new ATOM 777 N THR A 405 -13.399 1.744 -1.775 1.00 0.00 N ATOM 778 CA THR A 405 -13.287 3.121 -2.257 1.00 0.00 C ATOM 779 C THR A 405 -12.298 3.933 -1.426 1.00 0.00 C ATOM 780 O THR A 405 -12.269 3.836 -0.200 1.00 0.00 O ATOM 781 CB THR A 405 -14.650 3.837 -2.248 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.160 3.904 -0.911 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.649 3.112 -3.140 1.00 0.00 C ATOM 0 H THR A 405 -13.353 1.644 -0.761 1.00 0.00 H new ATOM 0 HA THR A 405 -12.922 3.056 -3.282 1.00 0.00 H new ATOM 0 HB THR A 405 -14.507 4.846 -2.634 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.026 4.362 -0.914 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.604 3.636 -3.117 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.273 3.087 -4.163 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.786 2.093 -2.779 1.00 0.00 H new ATOM 791 N LEU A 406 -11.485 4.729 -2.113 1.00 0.00 N ATOM 792 CA LEU A 406 -10.477 5.562 -1.473 1.00 0.00 C ATOM 793 C LEU A 406 -11.097 6.546 -0.493 1.00 0.00 C ATOM 794 O LEU A 406 -12.172 7.096 -0.736 1.00 0.00 O ATOM 795 CB LEU A 406 -9.678 6.316 -2.538 1.00 0.00 C ATOM 796 CG LEU A 406 -8.380 6.981 -2.067 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.656 8.294 -1.356 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.599 6.040 -1.169 1.00 0.00 C ATOM 0 H LEU A 406 -11.508 4.814 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.812 4.909 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.434 5.619 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.320 7.085 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.778 7.203 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.714 8.739 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.166 8.976 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.286 8.111 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.680 6.527 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.202 5.784 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.353 5.132 -1.720 1.00 0.00 H new ATOM 810 N ASP A 407 -10.394 6.767 0.607 1.00 0.00 N ATOM 811 CA ASP A 407 -10.845 7.694 1.636 1.00 0.00 C ATOM 812 C ASP A 407 -9.905 8.893 1.713 1.00 0.00 C ATOM 813 O ASP A 407 -8.688 8.732 1.786 1.00 0.00 O ATOM 814 CB ASP A 407 -10.909 6.991 2.994 1.00 0.00 C ATOM 815 CG ASP A 407 -11.478 7.875 4.088 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.854 9.029 3.790 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.553 7.411 5.246 1.00 0.00 O ATOM 0 H ASP A 407 -9.503 6.314 0.812 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.844 8.044 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.520 6.093 2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.907 6.668 3.278 1.00 0.00 H new ATOM 822 N LYS A 408 -10.475 10.091 1.696 1.00 0.00 N ATOM 823 CA LYS A 408 -9.684 11.313 1.764 1.00 0.00 C ATOM 824 C LYS A 408 -8.937 11.405 3.090 1.00 0.00 C ATOM 825 O LYS A 408 -7.774 11.805 3.133 1.00 0.00 O ATOM 826 CB LYS A 408 -10.582 12.536 1.575 1.00 0.00 C ATOM 827 CG LYS A 408 -11.250 12.592 0.209 1.00 0.00 C ATOM 828 CD LYS A 408 -12.217 13.760 0.102 1.00 0.00 C ATOM 829 CE LYS A 408 -13.383 13.613 1.067 1.00 0.00 C ATOM 830 NZ LYS A 408 -14.359 14.730 0.934 1.00 0.00 N ATOM 0 H LYS A 408 -11.482 10.243 1.636 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.948 11.288 0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.351 12.535 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.988 13.439 1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.488 12.679 -0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.784 11.660 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.688 14.691 0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.595 13.828 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.889 12.665 0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.006 13.580 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -15.138 14.592 1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -13.883 15.633 1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -14.738 14.746 -0.034 1.00 0.00 H new ATOM 844 N GLU A 409 -9.617 11.032 4.171 1.00 0.00 N ATOM 845 CA GLU A 409 -9.024 11.072 5.504 1.00 0.00 C ATOM 846 C GLU A 409 -7.871 10.077 5.630 1.00 0.00 C ATOM 847 O GLU A 409 -6.821 10.396 6.187 1.00 0.00 O ATOM 848 CB GLU A 409 -10.085 10.770 6.564 1.00 0.00 C ATOM 849 CG GLU A 409 -11.250 11.748 6.554 1.00 0.00 C ATOM 850 CD GLU A 409 -12.290 11.426 7.610 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.097 10.445 8.358 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.300 12.158 7.690 1.00 0.00 O ATOM 0 H GLU A 409 -10.581 10.698 4.149 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.628 12.075 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.467 9.761 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.618 10.784 7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.873 12.758 6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.720 11.737 5.571 1.00 0.00 H new ATOM 859 N GLU A 410 -8.078 8.868 5.120 1.00 0.00 N ATOM 860 CA GLU A 410 -7.058 7.826 5.189 1.00 0.00 C ATOM 861 C GLU A 410 -5.846 8.168 4.327 1.00 0.00 C ATOM 862 O GLU A 410 -4.707 8.013 4.761 1.00 0.00 O ATOM 863 CB GLU A 410 -7.643 6.480 4.758 1.00 0.00 C ATOM 864 CG GLU A 410 -8.777 5.991 5.647 1.00 0.00 C ATOM 865 CD GLU A 410 -8.333 5.711 7.072 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.893 6.657 7.757 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.427 4.541 7.502 1.00 0.00 O ATOM 0 H GLU A 410 -8.941 8.585 4.655 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.725 7.759 6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.007 6.564 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.849 5.734 4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.570 6.738 5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.201 5.083 5.219 1.00 0.00 H new ATOM 874 N ALA A 411 -6.097 8.624 3.104 1.00 0.00 N ATOM 875 CA ALA A 411 -5.020 8.977 2.182 1.00 0.00 C ATOM 876 C ALA A 411 -4.111 10.048 2.769 1.00 0.00 C ATOM 877 O ALA A 411 -2.889 9.899 2.776 1.00 0.00 O ATOM 878 CB ALA A 411 -5.595 9.442 0.852 1.00 0.00 C ATOM 0 H ALA A 411 -7.035 8.758 2.727 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.417 8.084 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.781 9.702 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.191 8.641 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.225 10.316 1.014 1.00 0.00 H new ATOM 884 N LYS A 412 -4.710 11.125 3.261 1.00 0.00 N ATOM 885 CA LYS A 412 -3.945 12.214 3.850 1.00 0.00 C ATOM 886 C LYS A 412 -3.171 11.725 5.070 1.00 0.00 C ATOM 887 O LYS A 412 -2.080 12.213 5.361 1.00 0.00 O ATOM 888 CB LYS A 412 -4.869 13.374 4.231 1.00 0.00 C ATOM 889 CG LYS A 412 -5.901 13.017 5.288 1.00 0.00 C ATOM 890 CD LYS A 412 -6.870 14.162 5.556 1.00 0.00 C ATOM 891 CE LYS A 412 -6.182 15.368 6.186 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.274 16.063 5.231 1.00 0.00 N ATOM 0 H LYS A 412 -5.720 11.267 3.264 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.230 12.572 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.263 14.204 4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.385 13.724 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.460 12.138 4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.392 12.749 6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.341 14.463 4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.665 13.815 6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.937 16.069 6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.611 15.044 7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.410 17.091 5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.287 15.826 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.491 15.758 4.261 1.00 0.00 H new ATOM 906 N LYS A 413 -3.744 10.754 5.778 1.00 0.00 N ATOM 907 CA LYS A 413 -3.116 10.190 6.959 1.00 0.00 C ATOM 908 C LYS A 413 -1.899 9.342 6.592 1.00 0.00 C ATOM 909 O LYS A 413 -0.857 9.424 7.242 1.00 0.00 O ATOM 910 CB LYS A 413 -4.134 9.350 7.729 1.00 0.00 C ATOM 911 CG LYS A 413 -3.510 8.496 8.811 1.00 0.00 C ATOM 912 CD LYS A 413 -4.553 7.682 9.560 1.00 0.00 C ATOM 913 CE LYS A 413 -3.914 6.800 10.620 1.00 0.00 C ATOM 914 NZ LYS A 413 -3.146 7.595 11.618 1.00 0.00 N ATOM 0 H LYS A 413 -4.649 10.343 5.548 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.770 11.010 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.874 10.012 8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.667 8.706 7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -2.776 7.824 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -2.974 9.134 9.513 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -5.272 8.353 10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -5.108 7.062 8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -4.689 6.228 11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -3.250 6.081 10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -2.914 6.995 12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -2.268 7.943 11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -3.720 8.403 11.934 1.00 0.00 H new ATOM 928 N VAL A 414 -2.039 8.525 5.549 1.00 0.00 N ATOM 929 CA VAL A 414 -0.950 7.659 5.102 1.00 0.00 C ATOM 930 C VAL A 414 0.279 8.480 4.728 1.00 0.00 C ATOM 931 O VAL A 414 1.384 8.213 5.201 1.00 0.00 O ATOM 932 CB VAL A 414 -1.371 6.800 3.893 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.215 5.926 3.427 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.583 5.948 4.234 1.00 0.00 C ATOM 0 H VAL A 414 -2.894 8.445 4.999 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.706 6.999 5.934 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.644 7.470 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.533 5.328 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.624 6.558 3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 414 0.092 5.266 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.863 5.350 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.341 5.288 5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.415 6.594 4.513 1.00 0.00 H new ATOM 944 N ALA A 415 0.076 9.483 3.881 1.00 0.00 N ATOM 945 CA ALA A 415 1.167 10.347 3.449 1.00 0.00 C ATOM 946 C ALA A 415 1.695 11.177 4.610 1.00 0.00 C ATOM 947 O ALA A 415 2.904 11.307 4.797 1.00 0.00 O ATOM 948 CB ALA A 415 0.703 11.260 2.326 1.00 0.00 C ATOM 0 H ALA A 415 -0.833 9.717 3.481 1.00 0.00 H new ATOM 0 HA ALA A 415 1.975 9.714 3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.528 11.900 2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 415 0.371 10.657 1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.123 11.879 2.678 1.00 0.00 H new ATOM 954 N ASP A 416 0.775 11.738 5.388 1.00 0.00 N ATOM 955 CA ASP A 416 1.140 12.559 6.533 1.00 0.00 C ATOM 956 C ASP A 416 1.109 11.724 7.807 1.00 0.00 C ATOM 957 O ASP A 416 0.541 12.127 8.821 1.00 0.00 O ATOM 958 CB ASP A 416 0.187 13.747 6.655 1.00 0.00 C ATOM 959 CG ASP A 416 0.719 14.843 7.561 1.00 0.00 C ATOM 960 OD1 ASP A 416 0.953 14.571 8.757 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.902 15.977 7.071 1.00 0.00 O ATOM 0 H ASP A 416 -0.230 11.638 5.245 1.00 0.00 H new ATOM 0 HA ASP A 416 2.152 12.937 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.002 14.161 5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.772 13.399 7.039 1.00 0.00 H new ATOM 966 N GLU A 417 1.712 10.547 7.735 1.00 0.00 N ATOM 967 CA GLU A 417 1.752 9.631 8.872 1.00 0.00 C ATOM 968 C GLU A 417 2.662 10.150 9.987 1.00 0.00 C ATOM 969 O GLU A 417 3.113 9.378 10.833 1.00 0.00 O ATOM 970 CB GLU A 417 2.225 8.249 8.417 1.00 0.00 C ATOM 971 CG GLU A 417 3.598 8.258 7.765 1.00 0.00 C ATOM 972 CD GLU A 417 4.046 6.877 7.325 1.00 0.00 C ATOM 973 OE1 GLU A 417 3.276 5.912 7.519 1.00 0.00 O ATOM 974 OE2 GLU A 417 5.167 6.760 6.786 1.00 0.00 O ATOM 0 H GLU A 417 2.183 10.200 6.899 1.00 0.00 H new ATOM 0 HA GLU A 417 0.741 9.558 9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 417 2.245 7.580 9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 417 1.501 7.840 7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 417 3.581 8.922 6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 417 4.326 8.665 8.466 1.00 0.00 H new ATOM 981 N THR A 418 2.912 11.459 9.990 1.00 0.00 N ATOM 982 CA THR A 418 3.751 12.083 11.006 1.00 0.00 C ATOM 983 C THR A 418 5.045 11.303 11.221 1.00 0.00 C ATOM 984 O THR A 418 5.379 10.929 12.345 1.00 0.00 O ATOM 985 CB THR A 418 3.001 12.214 12.344 1.00 0.00 C ATOM 986 OG1 THR A 418 2.688 10.917 12.866 1.00 0.00 O ATOM 987 CG2 THR A 418 1.718 13.011 12.159 1.00 0.00 C ATOM 0 H THR A 418 2.542 12.108 9.296 1.00 0.00 H new ATOM 0 HA THR A 418 4.001 13.079 10.641 1.00 0.00 H new ATOM 0 HB THR A 418 3.647 12.739 13.048 1.00 0.00 H new ATOM 0 HG1 THR A 418 3.169 10.234 12.354 1.00 0.00 H new ATOM 0 HG21 THR A 418 1.200 13.094 13.115 1.00 0.00 H new ATOM 0 HG22 THR A 418 1.959 14.008 11.789 1.00 0.00 H new ATOM 0 HG23 THR A 418 1.075 12.503 11.441 1.00 0.00 H new ATOM 995 N ALA A 419 5.767 11.057 10.132 1.00 0.00 N ATOM 996 CA ALA A 419 7.020 10.315 10.198 1.00 0.00 C ATOM 997 C ALA A 419 7.881 10.574 8.967 1.00 0.00 C ATOM 998 O ALA A 419 9.109 10.606 9.055 1.00 0.00 O ATOM 999 CB ALA A 419 6.744 8.827 10.345 1.00 0.00 C ATOM 0 H ALA A 419 5.505 11.361 9.194 1.00 0.00 H new ATOM 0 HA ALA A 419 7.571 10.662 11.072 1.00 0.00 H new ATOM 0 HB1 ALA A 419 7.688 8.285 10.393 1.00 0.00 H new ATOM 0 HB2 ALA A 419 6.177 8.651 11.259 1.00 0.00 H new ATOM 0 HB3 ALA A 419 6.168 8.477 9.488 1.00 0.00 H new ATOM 1005 N LYS A 420 7.230 10.755 7.819 1.00 0.00 N ATOM 1006 CA LYS A 420 7.935 11.008 6.566 1.00 0.00 C ATOM 1007 C LYS A 420 8.831 9.830 6.195 1.00 0.00 C ATOM 1008 O LYS A 420 10.028 9.998 5.955 1.00 0.00 O ATOM 1009 CB LYS A 420 8.766 12.289 6.662 1.00 0.00 C ATOM 1010 CG LYS A 420 7.932 13.545 6.865 1.00 0.00 C ATOM 1011 CD LYS A 420 8.801 14.793 6.924 1.00 0.00 C ATOM 1012 CE LYS A 420 9.595 14.985 5.640 1.00 0.00 C ATOM 1013 NZ LYS A 420 8.709 15.075 4.447 1.00 0.00 N ATOM 0 H LYS A 420 6.214 10.731 7.732 1.00 0.00 H new ATOM 0 HA LYS A 420 7.187 11.133 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 420 9.470 12.194 7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 420 9.356 12.398 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 420 7.213 13.640 6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 420 7.359 13.456 7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 420 8.173 15.667 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 420 9.486 14.720 7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 420 10.194 15.892 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 420 10.289 14.154 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 9.264 15.389 3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 8.296 14.141 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 7.947 15.758 4.631 1.00 0.00 H new ATOM 1027 N ASP A 421 8.240 8.638 6.152 1.00 0.00 N ATOM 1028 CA ASP A 421 8.977 7.424 5.811 1.00 0.00 C ATOM 1029 C ASP A 421 10.098 7.180 6.827 1.00 0.00 C ATOM 1030 O ASP A 421 9.911 7.414 8.022 1.00 0.00 O ATOM 1031 CB ASP A 421 9.533 7.529 4.385 1.00 0.00 C ATOM 1032 CG ASP A 421 8.466 7.914 3.378 1.00 0.00 C ATOM 1033 OD1 ASP A 421 7.897 9.018 3.508 1.00 0.00 O ATOM 1034 OD2 ASP A 421 8.199 7.111 2.460 1.00 0.00 O ATOM 0 H ASP A 421 7.251 8.487 6.350 1.00 0.00 H new ATOM 0 HA ASP A 421 8.299 6.572 5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 421 10.334 8.268 4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 421 9.973 6.574 4.098 1.00 0.00 H new ATOM 1039 N GLY A 422 11.258 6.713 6.363 1.00 0.00 N ATOM 1040 CA GLY A 422 12.364 6.457 7.266 1.00 0.00 C ATOM 1041 C GLY A 422 12.011 5.443 8.337 1.00 0.00 C ATOM 1042 O GLY A 422 12.392 5.597 9.496 1.00 0.00 O ATOM 0 H GLY A 422 11.448 6.509 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 422 13.220 6.096 6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 422 12.667 7.391 7.739 1.00 0.00 H new ATOM 1046 N LYS A 423 11.278 4.403 7.944 1.00 0.00 N ATOM 1047 CA LYS A 423 10.872 3.358 8.877 1.00 0.00 C ATOM 1048 C LYS A 423 12.091 2.687 9.503 1.00 0.00 C ATOM 1049 O LYS A 423 13.070 2.396 8.816 1.00 0.00 O ATOM 1050 CB LYS A 423 9.994 2.309 8.179 1.00 0.00 C ATOM 1051 CG LYS A 423 10.705 1.518 7.086 1.00 0.00 C ATOM 1052 CD LYS A 423 10.981 2.367 5.854 1.00 0.00 C ATOM 1053 CE LYS A 423 11.667 1.561 4.763 1.00 0.00 C ATOM 1054 NZ LYS A 423 11.932 2.380 3.548 1.00 0.00 N ATOM 0 H LYS A 423 10.954 4.263 6.987 1.00 0.00 H new ATOM 0 HA LYS A 423 10.287 3.828 9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 423 9.617 1.612 8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.128 2.809 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 423 11.645 1.127 7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 423 10.095 0.659 6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 423 10.044 2.773 5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 423 11.607 3.216 6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 423 12.607 1.162 5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 423 11.044 0.708 4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 12.400 1.793 2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 11.033 2.740 3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 12.548 3.180 3.796 1.00 0.00 H new ATOM 1068 N THR A 424 12.019 2.450 10.812 1.00 0.00 N ATOM 1069 CA THR A 424 13.111 1.816 11.547 1.00 0.00 C ATOM 1070 C THR A 424 14.352 2.707 11.576 1.00 0.00 C ATOM 1071 O THR A 424 14.741 3.283 10.560 1.00 0.00 O ATOM 1072 CB THR A 424 13.483 0.447 10.942 1.00 0.00 C ATOM 1073 OG1 THR A 424 12.337 -0.413 10.936 1.00 0.00 O ATOM 1074 CG2 THR A 424 14.608 -0.209 11.730 1.00 0.00 C ATOM 0 H THR A 424 11.211 2.689 11.387 1.00 0.00 H new ATOM 0 HA THR A 424 12.755 1.666 12.566 1.00 0.00 H new ATOM 0 HB THR A 424 13.824 0.609 9.919 1.00 0.00 H new ATOM 0 HG1 THR A 424 12.580 -1.280 10.549 1.00 0.00 H new ATOM 0 HG21 THR A 424 14.851 -1.173 11.283 1.00 0.00 H new ATOM 0 HG22 THR A 424 15.489 0.433 11.710 1.00 0.00 H new ATOM 0 HG23 THR A 424 14.291 -0.358 12.762 1.00 0.00 H new ATOM 1082 N GLY A 425 14.969 2.812 12.748 1.00 0.00 N ATOM 1083 CA GLY A 425 16.158 3.632 12.891 1.00 0.00 C ATOM 1084 C GLY A 425 16.798 3.494 14.259 1.00 0.00 C ATOM 1085 O GLY A 425 16.947 2.384 14.772 1.00 0.00 O ATOM 0 H GLY A 425 14.667 2.344 13.602 1.00 0.00 H new ATOM 0 HA2 GLY A 425 16.882 3.353 12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 425 15.898 4.676 12.719 1.00 0.00 H new ATOM 1089 N ASN A 426 17.176 4.623 14.853 1.00 0.00 N ATOM 1090 CA ASN A 426 17.805 4.625 16.170 1.00 0.00 C ATOM 1091 C ASN A 426 17.951 6.046 16.705 1.00 0.00 C ATOM 1092 O ASN A 426 18.280 6.969 15.958 1.00 0.00 O ATOM 1093 CB ASN A 426 19.178 3.953 16.108 1.00 0.00 C ATOM 1094 CG ASN A 426 20.129 4.670 15.170 1.00 0.00 C ATOM 1095 OD1 ASN A 426 19.867 4.786 13.973 1.00 0.00 O ATOM 1096 ND2 ASN A 426 21.239 5.157 15.711 1.00 0.00 N ATOM 0 H ASN A 426 17.057 5.549 14.442 1.00 0.00 H new ATOM 0 HA ASN A 426 17.162 4.063 16.847 1.00 0.00 H new ATOM 0 HB2 ASN A 426 19.611 3.924 17.108 1.00 0.00 H new ATOM 0 HB3 ASN A 426 19.060 2.920 15.782 1.00 0.00 H new ATOM 0 HD21 ASN A 426 21.916 5.651 15.129 1.00 0.00 H new ATOM 0 HD22 ASN A 426 21.415 5.037 16.709 1.00 0.00 H new ATOM 1103 N THR A 427 17.704 6.214 18.001 1.00 0.00 N ATOM 1104 CA THR A 427 17.809 7.521 18.641 1.00 0.00 C ATOM 1105 C THR A 427 19.209 8.106 18.470 1.00 0.00 C ATOM 1106 O THR A 427 20.208 7.400 18.607 1.00 0.00 O ATOM 1107 CB THR A 427 17.481 7.435 20.146 1.00 0.00 C ATOM 1108 OG1 THR A 427 16.162 6.905 20.330 1.00 0.00 O ATOM 1109 CG2 THR A 427 17.575 8.805 20.803 1.00 0.00 C ATOM 0 H THR A 427 17.429 5.459 18.630 1.00 0.00 H new ATOM 0 HA THR A 427 17.084 8.173 18.154 1.00 0.00 H new ATOM 0 HB THR A 427 18.210 6.774 20.615 1.00 0.00 H new ATOM 0 HG1 THR A 427 15.962 6.852 21.288 1.00 0.00 H new ATOM 0 HG21 THR A 427 17.339 8.717 21.864 1.00 0.00 H new ATOM 0 HG22 THR A 427 18.586 9.195 20.687 1.00 0.00 H new ATOM 0 HG23 THR A 427 16.867 9.485 20.329 1.00 0.00 H new ATOM 1117 N ASN A 428 19.270 9.404 18.178 1.00 0.00 N ATOM 1118 CA ASN A 428 20.538 10.098 17.995 1.00 0.00 C ATOM 1119 C ASN A 428 20.276 11.587 17.782 1.00 0.00 C ATOM 1120 O ASN A 428 19.405 12.160 18.436 1.00 0.00 O ATOM 1121 CB ASN A 428 21.309 9.503 16.809 1.00 0.00 C ATOM 1122 CG ASN A 428 22.766 9.944 16.757 1.00 0.00 C ATOM 1123 OD1 ASN A 428 23.192 10.739 17.736 1.00 0.00 O flip ATOM 1124 ND2 ASN A 428 23.503 9.570 15.845 1.00 0.00 N flip ATOM 0 H ASN A 428 18.448 9.997 18.063 1.00 0.00 H new ATOM 0 HA ASN A 428 21.150 9.972 18.888 1.00 0.00 H new ATOM 0 HB2 ASN A 428 21.267 8.415 16.866 1.00 0.00 H new ATOM 0 HB3 ASN A 428 20.815 9.793 15.881 1.00 0.00 H new ATOM 0 HD21 ASN A 428 23.139 8.961 15.113 1.00 0.00 H new ATOM 0 HD22 ASN A 428 24.478 9.869 15.822 1.00 0.00 H new ATOM 1131 N THR A 429 21.009 12.219 16.867 1.00 0.00 N ATOM 1132 CA THR A 429 20.802 13.634 16.605 1.00 0.00 C ATOM 1133 C THR A 429 19.550 13.835 15.759 1.00 0.00 C ATOM 1134 O THR A 429 19.538 13.514 14.572 1.00 0.00 O ATOM 1135 CB THR A 429 22.009 14.262 15.882 1.00 0.00 C ATOM 1136 OG1 THR A 429 22.245 13.587 14.640 1.00 0.00 O ATOM 1137 CG2 THR A 429 23.257 14.191 16.748 1.00 0.00 C ATOM 0 H THR A 429 21.738 11.779 16.306 1.00 0.00 H new ATOM 0 HA THR A 429 20.683 14.129 17.569 1.00 0.00 H new ATOM 0 HB THR A 429 21.780 15.310 15.687 1.00 0.00 H new ATOM 0 HG1 THR A 429 21.388 13.349 14.229 1.00 0.00 H new ATOM 0 HG21 THR A 429 24.095 14.641 16.216 1.00 0.00 H new ATOM 0 HG22 THR A 429 23.086 14.732 17.678 1.00 0.00 H new ATOM 0 HG23 THR A 429 23.486 13.149 16.971 1.00 0.00 H new ATOM 1145 N THR A 430 18.509 14.378 16.385 1.00 0.00 N ATOM 1146 CA THR A 430 17.235 14.640 15.718 1.00 0.00 C ATOM 1147 C THR A 430 16.271 15.323 16.681 1.00 0.00 C ATOM 1148 O THR A 430 15.764 16.411 16.403 1.00 0.00 O ATOM 1149 CB THR A 430 16.566 13.344 15.200 1.00 0.00 C ATOM 1150 OG1 THR A 430 17.347 12.759 14.151 1.00 0.00 O ATOM 1151 CG2 THR A 430 15.162 13.623 14.685 1.00 0.00 C ATOM 0 H THR A 430 18.524 14.649 17.368 1.00 0.00 H new ATOM 0 HA THR A 430 17.454 15.283 14.866 1.00 0.00 H new ATOM 0 HB THR A 430 16.504 12.648 16.037 1.00 0.00 H new ATOM 0 HG1 THR A 430 18.077 13.366 13.909 1.00 0.00 H new ATOM 0 HG21 THR A 430 14.715 12.696 14.327 1.00 0.00 H new ATOM 0 HG22 THR A 430 14.553 14.032 15.491 1.00 0.00 H new ATOM 0 HG23 THR A 430 15.211 14.342 13.867 1.00 0.00 H new ATOM 1159 N GLY A 431 16.028 14.676 17.817 1.00 0.00 N ATOM 1160 CA GLY A 431 15.130 15.234 18.811 1.00 0.00 C ATOM 1161 C GLY A 431 14.730 14.223 19.869 1.00 0.00 C ATOM 1162 O GLY A 431 15.539 13.393 20.283 1.00 0.00 O ATOM 0 H GLY A 431 16.437 13.776 18.066 1.00 0.00 H new ATOM 0 HA2 GLY A 431 15.610 16.086 19.291 1.00 0.00 H new ATOM 0 HA3 GLY A 431 14.235 15.610 18.316 1.00 0.00 H new ATOM 1166 N SER A 432 13.477 14.297 20.308 1.00 0.00 N ATOM 1167 CA SER A 432 12.964 13.385 21.322 1.00 0.00 C ATOM 1168 C SER A 432 12.637 12.021 20.720 1.00 0.00 C ATOM 1169 O SER A 432 12.045 11.934 19.644 1.00 0.00 O ATOM 1170 CB SER A 432 11.715 13.973 21.984 1.00 0.00 C ATOM 1171 OG SER A 432 10.690 14.199 21.032 1.00 0.00 O ATOM 0 H SER A 432 12.798 14.981 19.976 1.00 0.00 H new ATOM 0 HA SER A 432 13.740 13.252 22.075 1.00 0.00 H new ATOM 0 HB2 SER A 432 11.355 13.293 22.756 1.00 0.00 H new ATOM 0 HB3 SER A 432 11.969 14.911 22.478 1.00 0.00 H new ATOM 0 HG SER A 432 9.903 14.573 21.481 1.00 0.00 H new ATOM 1177 N SER A 433 13.027 10.961 21.424 1.00 0.00 N ATOM 1178 CA SER A 433 12.776 9.598 20.967 1.00 0.00 C ATOM 1179 C SER A 433 13.386 9.360 19.589 1.00 0.00 C ATOM 1180 O SER A 433 12.868 8.492 18.855 1.00 0.00 O ATOM 1181 CB SER A 433 11.273 9.315 20.928 1.00 0.00 C ATOM 1182 OG SER A 433 10.690 9.466 22.212 1.00 0.00 O ATOM 1183 OXT SER A 433 14.377 10.043 19.256 1.00 0.00 O ATOM 0 H SER A 433 13.519 11.021 22.315 1.00 0.00 H new ATOM 0 HA SER A 433 13.248 8.916 21.675 1.00 0.00 H new ATOM 0 HB2 SER A 433 10.791 9.993 20.224 1.00 0.00 H new ATOM 0 HB3 SER A 433 11.100 8.302 20.564 1.00 0.00 H new ATOM 0 HG SER A 433 9.729 9.281 22.159 1.00 0.00 H new TER 1189 SER A 433