USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=30 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 428 ASN :FLIP amide:sc= -2.03! C(o=-4.8!,f=-2!) USER MOD Set 1.2: A 429 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 396 HIS : no HD1:sc=-0.00284 X(o=0.096,f=0.014) USER MOD Set 2.2: A 405 THR OG1 : rot 21:sc= 0.0991 USER MOD Set 3.1: A 373 GLN : amide:sc= -1.6! C(o=-1.3!,f=-2.1!) USER MOD Set 3.2: A 391 SER OG : rot 108:sc= 0.255 USER MOD Set 4.1: A 377 THR OG1 : rot 180:sc= 0.00382 USER MOD Set 4.2: A 380 SER OG : rot 82:sc= 0.00373 USER MOD Set 5.1: A 362 THR OG1 : rot 180:sc= 0.0134 USER MOD Set 5.2: A 364 LYS NZ :NH3+ -164:sc=-0.000558 (180deg=-0.25) USER MOD Single : A 355 SER OG : rot -12:sc= 0.762 USER MOD Single : A 356 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 357 MET CE :methyl 163:sc= -0.0765 (180deg=-0.558) USER MOD Single : A 363 GLN : amide:sc= -0.792 K(o=-0.79,f=-3!) USER MOD Single : A 365 HIS : no HD1:sc= -4.32! C(o=-4.3!,f=-6.8!) USER MOD Single : A 366 LYS NZ :NH3+ -167:sc= -0.0307 (180deg=-0.247) USER MOD Single : A 370 SER OG : rot -54:sc= 0.853 USER MOD Single : A 371 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.6!) USER MOD Single : A 372 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 382 ASN :FLIP amide:sc= -1.31 F(o=-5.2!,f=-1.3) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -116:sc= -0.198 (180deg=-2.76!) USER MOD Single : A 386 GLN : amide:sc= -2.41! C(o=-2.4!,f=-2.4!) USER MOD Single : A 387 ASN : amide:sc= -0.0501 X(o=-0.05,f=-0.048) USER MOD Single : A 390 LYS NZ :NH3+ -138:sc= -1.94! (180deg=-4.16!) USER MOD Single : A 394 LYS NZ :NH3+ 141:sc= -3.95! (180deg=-6.16!) USER MOD Single : A 397 ASN : amide:sc= -1.65 K(o=-1.6,f=-6.9!) USER MOD Single : A 401 ASN :FLIP amide:sc= 0.352 F(o=-0.57,f=0.35) USER MOD Single : A 402 LYS NZ :NH3+ 167:sc= -0.0395 (180deg=-0.219) USER MOD Single : A 403 LYS NZ :NH3+ 168:sc=-0.00166 (180deg=-0.178) USER MOD Single : A 408 LYS NZ :NH3+ -166:sc= -0.0427 (180deg=-0.237) USER MOD Single : A 412 LYS NZ :NH3+ -148:sc= -3.95! (180deg=-5.56!) USER MOD Single : A 413 LYS NZ :NH3+ -114:sc= 0.102 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 420 LYS NZ :NH3+ -169:sc= -0.0362 (180deg=-0.19) USER MOD Single : A 423 LYS NZ :NH3+ -166:sc= -0.0252 (180deg=-0.288) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.974 X(o=-0.97,f=-1.4) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 11:sc= 0.709 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 13.358 3.731 -31.857 1.00 0.00 N ATOM 2 CA GLY A 354 13.581 2.861 -30.669 1.00 0.00 C ATOM 3 C GLY A 354 13.959 3.652 -29.433 1.00 0.00 C ATOM 4 O GLY A 354 14.834 4.516 -29.487 1.00 0.00 O ATOM 0 HA2 GLY A 354 12.676 2.288 -30.467 1.00 0.00 H new ATOM 0 HA3 GLY A 354 14.370 2.142 -30.892 1.00 0.00 H new ATOM 10 N SER A 355 13.298 3.353 -28.318 1.00 0.00 N ATOM 11 CA SER A 355 13.562 4.038 -27.057 1.00 0.00 C ATOM 12 C SER A 355 12.968 3.260 -25.887 1.00 0.00 C ATOM 13 O SER A 355 12.373 3.842 -24.978 1.00 0.00 O ATOM 14 CB SER A 355 12.978 5.454 -27.085 1.00 0.00 C ATOM 15 OG SER A 355 13.570 6.238 -28.106 1.00 0.00 O ATOM 0 H SER A 355 12.573 2.638 -28.263 1.00 0.00 H new ATOM 0 HA SER A 355 14.642 4.101 -26.926 1.00 0.00 H new ATOM 0 HB2 SER A 355 11.901 5.402 -27.243 1.00 0.00 H new ATOM 0 HB3 SER A 355 13.136 5.933 -26.119 1.00 0.00 H new ATOM 0 HG SER A 355 14.361 5.777 -28.456 1.00 0.00 H new ATOM 21 N HIS A 356 13.132 1.942 -25.917 1.00 0.00 N ATOM 22 CA HIS A 356 12.612 1.082 -24.860 1.00 0.00 C ATOM 23 C HIS A 356 13.284 1.384 -23.526 1.00 0.00 C ATOM 24 O HIS A 356 14.507 1.491 -23.444 1.00 0.00 O ATOM 25 CB HIS A 356 12.814 -0.391 -25.224 1.00 0.00 C ATOM 26 CG HIS A 356 12.070 -0.819 -26.453 1.00 0.00 C ATOM 27 ND1 HIS A 356 12.108 -2.109 -26.941 1.00 0.00 N ATOM 28 CD2 HIS A 356 11.265 -0.125 -27.293 1.00 0.00 C ATOM 29 CE1 HIS A 356 11.360 -2.189 -28.028 1.00 0.00 C ATOM 30 NE2 HIS A 356 10.837 -1.000 -28.262 1.00 0.00 N ATOM 0 H HIS A 356 13.621 1.446 -26.662 1.00 0.00 H new ATOM 0 HA HIS A 356 11.545 1.282 -24.760 1.00 0.00 H new ATOM 0 HB2 HIS A 356 13.878 -0.576 -25.372 1.00 0.00 H new ATOM 0 HB3 HIS A 356 12.496 -1.010 -24.385 1.00 0.00 H new ATOM 0 HD2 HIS A 356 11.008 0.921 -27.215 1.00 0.00 H new ATOM 0 HE1 HIS A 356 11.203 -3.076 -28.623 1.00 0.00 H new ATOM 0 HE2 HIS A 356 10.216 -0.768 -29.037 1.00 0.00 H new ATOM 39 N MET A 357 12.471 1.513 -22.482 1.00 0.00 N ATOM 40 CA MET A 357 12.972 1.797 -21.140 1.00 0.00 C ATOM 41 C MET A 357 11.829 1.765 -20.132 1.00 0.00 C ATOM 42 O MET A 357 10.761 2.326 -20.375 1.00 0.00 O ATOM 43 CB MET A 357 13.664 3.163 -21.102 1.00 0.00 C ATOM 44 CG MET A 357 14.277 3.499 -19.752 1.00 0.00 C ATOM 45 SD MET A 357 15.498 2.283 -19.219 1.00 0.00 S ATOM 46 CE MET A 357 16.693 2.396 -20.549 1.00 0.00 C ATOM 0 H MET A 357 11.456 1.425 -22.540 1.00 0.00 H new ATOM 0 HA MET A 357 13.700 1.030 -20.876 1.00 0.00 H new ATOM 0 HB2 MET A 357 14.445 3.186 -21.862 1.00 0.00 H new ATOM 0 HB3 MET A 357 12.940 3.935 -21.365 1.00 0.00 H new ATOM 0 HG2 MET A 357 14.748 4.481 -19.806 1.00 0.00 H new ATOM 0 HG3 MET A 357 13.486 3.565 -19.005 1.00 0.00 H new ATOM 0 HE1 MET A 357 17.634 1.946 -20.232 1.00 0.00 H new ATOM 0 HE2 MET A 357 16.315 1.867 -21.424 1.00 0.00 H new ATOM 0 HE3 MET A 357 16.858 3.443 -20.802 1.00 0.00 H new ATOM 56 N LEU A 358 12.059 1.102 -19.003 1.00 0.00 N ATOM 57 CA LEU A 358 11.044 0.993 -17.962 1.00 0.00 C ATOM 58 C LEU A 358 11.683 1.029 -16.574 1.00 0.00 C ATOM 59 O LEU A 358 12.604 1.807 -16.329 1.00 0.00 O ATOM 60 CB LEU A 358 10.243 -0.302 -18.142 1.00 0.00 C ATOM 61 CG LEU A 358 9.462 -0.418 -19.454 1.00 0.00 C ATOM 62 CD1 LEU A 358 8.824 -1.793 -19.573 1.00 0.00 C ATOM 63 CD2 LEU A 358 8.399 0.668 -19.540 1.00 0.00 C ATOM 0 H LEU A 358 12.938 0.633 -18.786 1.00 0.00 H new ATOM 0 HA LEU A 358 10.369 1.844 -18.050 1.00 0.00 H new ATOM 0 HB2 LEU A 358 10.930 -1.146 -18.073 1.00 0.00 H new ATOM 0 HB3 LEU A 358 9.541 -0.393 -17.313 1.00 0.00 H new ATOM 0 HG LEU A 358 10.159 -0.286 -20.282 1.00 0.00 H new ATOM 0 HD11 LEU A 358 8.273 -1.858 -20.511 1.00 0.00 H new ATOM 0 HD12 LEU A 358 9.601 -2.557 -19.554 1.00 0.00 H new ATOM 0 HD13 LEU A 358 8.140 -1.950 -18.739 1.00 0.00 H new ATOM 0 HD21 LEU A 358 7.854 0.570 -20.479 1.00 0.00 H new ATOM 0 HD22 LEU A 358 7.706 0.565 -18.705 1.00 0.00 H new ATOM 0 HD23 LEU A 358 8.875 1.648 -19.497 1.00 0.00 H new ATOM 75 N GLU A 359 11.189 0.184 -15.671 1.00 0.00 N ATOM 76 CA GLU A 359 11.712 0.123 -14.311 1.00 0.00 C ATOM 77 C GLU A 359 11.133 -1.075 -13.563 1.00 0.00 C ATOM 78 O GLU A 359 10.726 -0.962 -12.406 1.00 0.00 O ATOM 79 CB GLU A 359 11.388 1.419 -13.562 1.00 0.00 C ATOM 80 CG GLU A 359 9.903 1.743 -13.520 1.00 0.00 C ATOM 81 CD GLU A 359 9.606 3.037 -12.787 1.00 0.00 C ATOM 82 OE1 GLU A 359 10.563 3.691 -12.321 1.00 0.00 O ATOM 83 OE2 GLU A 359 8.415 3.398 -12.680 1.00 0.00 O ATOM 0 H GLU A 359 10.427 -0.467 -15.858 1.00 0.00 H new ATOM 0 HA GLU A 359 12.794 0.005 -14.364 1.00 0.00 H new ATOM 0 HB2 GLU A 359 11.764 1.343 -12.542 1.00 0.00 H new ATOM 0 HB3 GLU A 359 11.918 2.245 -14.036 1.00 0.00 H new ATOM 0 HG2 GLU A 359 9.522 1.812 -14.539 1.00 0.00 H new ATOM 0 HG3 GLU A 359 9.371 0.925 -13.035 1.00 0.00 H new ATOM 90 N VAL A 360 11.101 -2.223 -14.234 1.00 0.00 N ATOM 91 CA VAL A 360 10.574 -3.445 -13.636 1.00 0.00 C ATOM 92 C VAL A 360 11.354 -3.821 -12.382 1.00 0.00 C ATOM 93 O VAL A 360 12.586 -3.819 -12.383 1.00 0.00 O ATOM 94 CB VAL A 360 10.625 -4.623 -14.630 1.00 0.00 C ATOM 95 CG1 VAL A 360 10.034 -5.880 -14.007 1.00 0.00 C ATOM 96 CG2 VAL A 360 9.897 -4.266 -15.917 1.00 0.00 C ATOM 0 H VAL A 360 11.434 -2.332 -15.192 1.00 0.00 H new ATOM 0 HA VAL A 360 9.536 -3.247 -13.371 1.00 0.00 H new ATOM 0 HB VAL A 360 11.669 -4.824 -14.871 1.00 0.00 H new ATOM 0 HG11 VAL A 360 10.080 -6.698 -14.725 1.00 0.00 H new ATOM 0 HG12 VAL A 360 10.603 -6.147 -13.116 1.00 0.00 H new ATOM 0 HG13 VAL A 360 8.995 -5.696 -13.733 1.00 0.00 H new ATOM 0 HG21 VAL A 360 9.943 -5.109 -16.607 1.00 0.00 H new ATOM 0 HG22 VAL A 360 8.855 -4.036 -15.694 1.00 0.00 H new ATOM 0 HG23 VAL A 360 10.370 -3.397 -16.374 1.00 0.00 H new ATOM 106 N LEU A 361 10.631 -4.143 -11.314 1.00 0.00 N ATOM 107 CA LEU A 361 11.258 -4.519 -10.052 1.00 0.00 C ATOM 108 C LEU A 361 12.159 -5.737 -10.238 1.00 0.00 C ATOM 109 O LEU A 361 11.745 -6.751 -10.800 1.00 0.00 O ATOM 110 CB LEU A 361 10.199 -4.805 -8.976 1.00 0.00 C ATOM 111 CG LEU A 361 9.313 -6.035 -9.214 1.00 0.00 C ATOM 112 CD1 LEU A 361 8.443 -6.303 -7.996 1.00 0.00 C ATOM 113 CD2 LEU A 361 8.444 -5.849 -10.448 1.00 0.00 C ATOM 0 H LEU A 361 9.611 -4.151 -11.297 1.00 0.00 H new ATOM 0 HA LEU A 361 11.869 -3.680 -9.720 1.00 0.00 H new ATOM 0 HB2 LEU A 361 10.706 -4.927 -8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 361 9.555 -3.930 -8.887 1.00 0.00 H new ATOM 0 HG LEU A 361 9.963 -6.894 -9.380 1.00 0.00 H new ATOM 0 HD11 LEU A 361 7.820 -7.178 -8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.077 -6.485 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 361 7.807 -5.438 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 361 7.826 -6.735 -10.594 1.00 0.00 H new ATOM 0 HD22 LEU A 361 7.803 -4.977 -10.314 1.00 0.00 H new ATOM 0 HD23 LEU A 361 9.079 -5.701 -11.321 1.00 0.00 H new ATOM 125 N THR A 362 13.397 -5.625 -9.764 1.00 0.00 N ATOM 126 CA THR A 362 14.361 -6.712 -9.879 1.00 0.00 C ATOM 127 C THR A 362 13.955 -7.899 -9.014 1.00 0.00 C ATOM 128 O THR A 362 13.682 -7.745 -7.822 1.00 0.00 O ATOM 129 CB THR A 362 15.773 -6.256 -9.468 1.00 0.00 C ATOM 130 OG1 THR A 362 15.769 -5.816 -8.105 1.00 0.00 O ATOM 131 CG2 THR A 362 16.261 -5.130 -10.366 1.00 0.00 C ATOM 0 H THR A 362 13.755 -4.792 -9.297 1.00 0.00 H new ATOM 0 HA THR A 362 14.373 -7.014 -10.926 1.00 0.00 H new ATOM 0 HB THR A 362 16.449 -7.104 -9.574 1.00 0.00 H new ATOM 0 HG1 THR A 362 16.671 -5.529 -7.851 1.00 0.00 H new ATOM 0 HG21 THR A 362 17.260 -4.825 -10.056 1.00 0.00 H new ATOM 0 HG22 THR A 362 16.291 -5.476 -11.399 1.00 0.00 H new ATOM 0 HG23 THR A 362 15.582 -4.281 -10.287 1.00 0.00 H new ATOM 139 N GLN A 363 13.919 -9.083 -9.616 1.00 0.00 N ATOM 140 CA GLN A 363 13.549 -10.293 -8.894 1.00 0.00 C ATOM 141 C GLN A 363 14.659 -10.710 -7.935 1.00 0.00 C ATOM 142 O GLN A 363 15.785 -10.979 -8.353 1.00 0.00 O ATOM 143 CB GLN A 363 13.249 -11.428 -9.875 1.00 0.00 C ATOM 144 CG GLN A 363 12.115 -11.120 -10.842 1.00 0.00 C ATOM 145 CD GLN A 363 10.783 -10.917 -10.143 1.00 0.00 C ATOM 146 OE1 GLN A 363 10.625 -10.008 -9.328 1.00 0.00 O ATOM 147 NE2 GLN A 363 9.815 -11.768 -10.463 1.00 0.00 N ATOM 0 H GLN A 363 14.141 -9.230 -10.601 1.00 0.00 H new ATOM 0 HA GLN A 363 12.651 -10.082 -8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 363 14.151 -11.650 -10.446 1.00 0.00 H new ATOM 0 HB3 GLN A 363 12.999 -12.327 -9.311 1.00 0.00 H new ATOM 0 HG2 GLN A 363 12.362 -10.223 -11.410 1.00 0.00 H new ATOM 0 HG3 GLN A 363 12.023 -11.936 -11.559 1.00 0.00 H new ATOM 0 HE21 GLN A 363 9.990 -12.507 -11.144 1.00 0.00 H new ATOM 0 HE22 GLN A 363 8.896 -11.683 -10.028 1.00 0.00 H new ATOM 156 N LYS A 364 14.333 -10.763 -6.650 1.00 0.00 N ATOM 157 CA LYS A 364 15.301 -11.149 -5.629 1.00 0.00 C ATOM 158 C LYS A 364 14.592 -11.634 -4.371 1.00 0.00 C ATOM 159 O LYS A 364 13.377 -11.832 -4.369 1.00 0.00 O ATOM 160 CB LYS A 364 16.218 -9.972 -5.293 1.00 0.00 C ATOM 161 CG LYS A 364 15.477 -8.752 -4.768 1.00 0.00 C ATOM 162 CD LYS A 364 16.430 -7.609 -4.460 1.00 0.00 C ATOM 163 CE LYS A 364 15.688 -6.393 -3.930 1.00 0.00 C ATOM 164 NZ LYS A 364 14.692 -5.880 -4.910 1.00 0.00 N ATOM 0 H LYS A 364 13.405 -10.543 -6.289 1.00 0.00 H new ATOM 0 HA LYS A 364 15.905 -11.966 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 364 16.947 -10.292 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 364 16.776 -9.691 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 364 14.743 -8.426 -5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 364 14.926 -9.020 -3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 364 17.167 -7.936 -3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 364 16.978 -7.338 -5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 364 15.182 -6.653 -3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 364 16.404 -5.606 -3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 14.406 -4.917 -4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 15.116 -5.864 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 13.857 -6.501 -4.914 1.00 0.00 H new ATOM 178 N HIS A 365 15.355 -11.818 -3.297 1.00 0.00 N ATOM 179 CA HIS A 365 14.793 -12.272 -2.031 1.00 0.00 C ATOM 180 C HIS A 365 14.115 -11.122 -1.289 1.00 0.00 C ATOM 181 O HIS A 365 14.118 -11.076 -0.059 1.00 0.00 O ATOM 182 CB HIS A 365 15.886 -12.897 -1.160 1.00 0.00 C ATOM 183 CG HIS A 365 17.065 -12.000 -0.941 1.00 0.00 C ATOM 184 ND1 HIS A 365 16.973 -10.771 -0.322 1.00 0.00 N ATOM 185 CD2 HIS A 365 18.371 -12.158 -1.264 1.00 0.00 C ATOM 186 CE1 HIS A 365 18.170 -10.213 -0.275 1.00 0.00 C ATOM 187 NE2 HIS A 365 19.035 -11.034 -0.840 1.00 0.00 N ATOM 0 H HIS A 365 16.362 -11.660 -3.279 1.00 0.00 H new ATOM 0 HA HIS A 365 14.038 -13.028 -2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 365 15.460 -13.165 -0.193 1.00 0.00 H new ATOM 0 HB3 HIS A 365 16.226 -13.822 -1.626 1.00 0.00 H new ATOM 0 HD2 HIS A 365 18.809 -13.010 -1.763 1.00 0.00 H new ATOM 0 HE1 HIS A 365 18.401 -9.249 0.153 1.00 0.00 H new ATOM 0 HE2 HIS A 365 20.035 -10.861 -0.945 1.00 0.00 H new ATOM 196 N LYS A 366 13.525 -10.204 -2.053 1.00 0.00 N ATOM 197 CA LYS A 366 12.828 -9.050 -1.491 1.00 0.00 C ATOM 198 C LYS A 366 11.769 -8.546 -2.471 1.00 0.00 C ATOM 199 O LYS A 366 11.870 -7.436 -2.993 1.00 0.00 O ATOM 200 CB LYS A 366 13.810 -7.917 -1.163 1.00 0.00 C ATOM 201 CG LYS A 366 14.799 -8.253 -0.060 1.00 0.00 C ATOM 202 CD LYS A 366 15.724 -7.083 0.233 1.00 0.00 C ATOM 203 CE LYS A 366 16.712 -7.417 1.340 1.00 0.00 C ATOM 204 NZ LYS A 366 16.023 -7.752 2.616 1.00 0.00 N ATOM 0 H LYS A 366 13.517 -10.239 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 366 12.345 -9.366 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 366 14.363 -7.658 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 366 13.243 -7.033 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 366 14.257 -8.526 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 366 15.390 -9.121 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 366 16.268 -6.812 -0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 366 15.133 -6.214 0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 366 17.333 -8.258 1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 366 17.379 -6.570 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 16.714 -7.757 3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 15.289 -7.042 2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 15.584 -8.691 2.537 1.00 0.00 H new ATOM 218 N PRO A 367 10.735 -9.366 -2.736 1.00 0.00 N ATOM 219 CA PRO A 367 9.658 -9.009 -3.656 1.00 0.00 C ATOM 220 C PRO A 367 8.621 -8.091 -3.015 1.00 0.00 C ATOM 221 O PRO A 367 7.417 -8.334 -3.114 1.00 0.00 O ATOM 222 CB PRO A 367 9.047 -10.358 -4.008 1.00 0.00 C ATOM 223 CG PRO A 367 9.274 -11.208 -2.810 1.00 0.00 C ATOM 224 CD PRO A 367 10.534 -10.707 -2.152 1.00 0.00 C ATOM 0 HA PRO A 367 10.020 -8.451 -4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 367 7.984 -10.264 -4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 367 9.520 -10.787 -4.891 1.00 0.00 H new ATOM 0 HG2 PRO A 367 8.429 -11.144 -2.125 1.00 0.00 H new ATOM 0 HG3 PRO A 367 9.376 -12.256 -3.093 1.00 0.00 H new ATOM 0 HD2 PRO A 367 10.426 -10.658 -1.068 1.00 0.00 H new ATOM 0 HD3 PRO A 367 11.380 -11.363 -2.359 1.00 0.00 H new ATOM 232 N ALA A 368 9.096 -7.036 -2.359 1.00 0.00 N ATOM 233 CA ALA A 368 8.213 -6.080 -1.701 1.00 0.00 C ATOM 234 C ALA A 368 8.984 -4.847 -1.238 1.00 0.00 C ATOM 235 O ALA A 368 8.818 -4.387 -0.108 1.00 0.00 O ATOM 236 CB ALA A 368 7.510 -6.739 -0.522 1.00 0.00 C ATOM 0 H ALA A 368 10.089 -6.822 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 368 7.464 -5.756 -2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 368 6.854 -6.015 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 368 6.920 -7.584 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 368 8.253 -7.090 0.194 1.00 0.00 H new ATOM 242 N GLU A 369 9.823 -4.314 -2.122 1.00 0.00 N ATOM 243 CA GLU A 369 10.617 -3.131 -1.809 1.00 0.00 C ATOM 244 C GLU A 369 10.563 -2.128 -2.952 1.00 0.00 C ATOM 245 O GLU A 369 10.360 -0.933 -2.738 1.00 0.00 O ATOM 246 CB GLU A 369 12.070 -3.520 -1.523 1.00 0.00 C ATOM 247 CG GLU A 369 12.231 -4.456 -0.335 1.00 0.00 C ATOM 248 CD GLU A 369 11.755 -3.839 0.966 1.00 0.00 C ATOM 249 OE1 GLU A 369 12.278 -2.769 1.343 1.00 0.00 O ATOM 250 OE2 GLU A 369 10.862 -4.429 1.610 1.00 0.00 O ATOM 0 H GLU A 369 9.970 -4.683 -3.061 1.00 0.00 H new ATOM 0 HA GLU A 369 10.195 -2.667 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 369 12.490 -3.996 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 369 12.650 -2.615 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 369 11.673 -5.373 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 369 13.280 -4.735 -0.237 1.00 0.00 H new ATOM 257 N SER A 370 10.738 -2.630 -4.165 1.00 0.00 N ATOM 258 CA SER A 370 10.702 -1.791 -5.359 1.00 0.00 C ATOM 259 C SER A 370 9.260 -1.525 -5.787 1.00 0.00 C ATOM 260 O SER A 370 8.933 -1.565 -6.974 1.00 0.00 O ATOM 261 CB SER A 370 11.476 -2.459 -6.500 1.00 0.00 C ATOM 262 OG SER A 370 11.477 -1.646 -7.661 1.00 0.00 O ATOM 0 H SER A 370 10.907 -3.618 -4.352 1.00 0.00 H new ATOM 0 HA SER A 370 11.174 -0.837 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 370 12.502 -2.649 -6.185 1.00 0.00 H new ATOM 0 HB3 SER A 370 11.028 -3.426 -6.730 1.00 0.00 H new ATOM 0 HG SER A 370 10.555 -1.416 -7.900 1.00 0.00 H new ATOM 268 N GLN A 371 8.403 -1.256 -4.806 1.00 0.00 N ATOM 269 CA GLN A 371 6.993 -0.986 -5.062 1.00 0.00 C ATOM 270 C GLN A 371 6.299 -0.544 -3.773 1.00 0.00 C ATOM 271 O GLN A 371 5.265 -1.090 -3.385 1.00 0.00 O ATOM 272 CB GLN A 371 6.312 -2.234 -5.640 1.00 0.00 C ATOM 273 CG GLN A 371 4.864 -2.017 -6.057 1.00 0.00 C ATOM 274 CD GLN A 371 4.708 -0.970 -7.144 1.00 0.00 C ATOM 275 OE1 GLN A 371 5.071 0.193 -6.962 1.00 0.00 O ATOM 276 NE2 GLN A 371 4.158 -1.376 -8.282 1.00 0.00 N ATOM 0 H GLN A 371 8.664 -1.219 -3.821 1.00 0.00 H new ATOM 0 HA GLN A 371 6.914 -0.180 -5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 371 6.880 -2.577 -6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 371 6.349 -3.031 -4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 371 4.448 -2.961 -6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 371 4.282 -1.717 -5.185 1.00 0.00 H new ATOM 0 HE21 GLN A 371 3.871 -2.349 -8.391 1.00 0.00 H new ATOM 0 HE22 GLN A 371 4.022 -0.715 -9.047 1.00 0.00 H new ATOM 285 N GLN A 372 6.888 0.446 -3.109 1.00 0.00 N ATOM 286 CA GLN A 372 6.344 0.968 -1.859 1.00 0.00 C ATOM 287 C GLN A 372 4.894 1.410 -2.034 1.00 0.00 C ATOM 288 O GLN A 372 4.534 2.004 -3.051 1.00 0.00 O ATOM 289 CB GLN A 372 7.188 2.144 -1.364 1.00 0.00 C ATOM 290 CG GLN A 372 8.646 1.789 -1.121 1.00 0.00 C ATOM 291 CD GLN A 372 9.449 2.960 -0.588 1.00 0.00 C ATOM 292 OE1 GLN A 372 9.155 3.493 0.483 1.00 0.00 O ATOM 293 NE2 GLN A 372 10.467 3.370 -1.335 1.00 0.00 N ATOM 0 H GLN A 372 7.745 0.905 -3.417 1.00 0.00 H new ATOM 0 HA GLN A 372 6.374 0.168 -1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 372 7.136 2.950 -2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 372 6.757 2.525 -0.438 1.00 0.00 H new ATOM 0 HG2 GLN A 372 8.702 0.962 -0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 372 9.092 1.441 -2.053 1.00 0.00 H new ATOM 0 HE21 GLN A 372 10.675 2.900 -2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 372 11.041 4.155 -1.028 1.00 0.00 H new ATOM 302 N GLN A 373 4.068 1.113 -1.035 1.00 0.00 N ATOM 303 CA GLN A 373 2.654 1.477 -1.073 1.00 0.00 C ATOM 304 C GLN A 373 2.484 2.979 -1.277 1.00 0.00 C ATOM 305 O GLN A 373 3.070 3.785 -0.553 1.00 0.00 O ATOM 306 CB GLN A 373 1.963 1.047 0.221 1.00 0.00 C ATOM 307 CG GLN A 373 0.487 1.410 0.274 1.00 0.00 C ATOM 308 CD GLN A 373 -0.183 0.996 1.573 1.00 0.00 C ATOM 309 OE1 GLN A 373 -1.380 1.214 1.758 1.00 0.00 O ATOM 310 NE2 GLN A 373 0.582 0.403 2.485 1.00 0.00 N ATOM 0 H GLN A 373 4.353 0.621 -0.188 1.00 0.00 H new ATOM 0 HA GLN A 373 2.193 0.960 -1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 373 2.067 -0.032 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 373 2.473 1.510 1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 373 0.379 2.487 0.144 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.028 0.935 -0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 373 1.571 0.240 2.294 1.00 0.00 H new ATOM 0 HE22 GLN A 373 0.180 0.111 3.376 1.00 0.00 H new ATOM 319 N ALA A 374 1.673 3.347 -2.264 1.00 0.00 N ATOM 320 CA ALA A 374 1.417 4.748 -2.563 1.00 0.00 C ATOM 321 C ALA A 374 -0.078 5.033 -2.581 1.00 0.00 C ATOM 322 O ALA A 374 -0.861 4.240 -3.105 1.00 0.00 O ATOM 323 CB ALA A 374 2.046 5.126 -3.896 1.00 0.00 C ATOM 0 H ALA A 374 1.181 2.691 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 374 1.869 5.354 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.847 6.177 -4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 374 3.123 4.963 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.620 4.510 -4.687 1.00 0.00 H new ATOM 329 N ALA A 375 -0.471 6.166 -2.009 1.00 0.00 N ATOM 330 CA ALA A 375 -1.875 6.546 -1.969 1.00 0.00 C ATOM 331 C ALA A 375 -2.465 6.578 -3.374 1.00 0.00 C ATOM 332 O ALA A 375 -2.244 7.523 -4.132 1.00 0.00 O ATOM 333 CB ALA A 375 -2.038 7.901 -1.295 1.00 0.00 C ATOM 0 H ALA A 375 0.162 6.834 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.416 5.799 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.094 8.172 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.655 7.849 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.482 8.654 -1.853 1.00 0.00 H new ATOM 339 N GLU A 376 -3.213 5.533 -3.712 1.00 0.00 N ATOM 340 CA GLU A 376 -3.840 5.423 -5.022 1.00 0.00 C ATOM 341 C GLU A 376 -4.886 6.518 -5.217 1.00 0.00 C ATOM 342 O GLU A 376 -4.756 7.615 -4.675 1.00 0.00 O ATOM 343 CB GLU A 376 -4.467 4.034 -5.179 1.00 0.00 C ATOM 344 CG GLU A 376 -3.473 2.899 -5.008 1.00 0.00 C ATOM 345 CD GLU A 376 -4.094 1.537 -5.254 1.00 0.00 C ATOM 346 OE1 GLU A 376 -5.318 1.476 -5.495 1.00 0.00 O ATOM 347 OE2 GLU A 376 -3.355 0.531 -5.204 1.00 0.00 O ATOM 0 H GLU A 376 -3.400 4.746 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.078 5.554 -5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.266 3.920 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.925 3.960 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.640 3.044 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.062 2.930 -3.999 1.00 0.00 H new ATOM 354 N THR A 377 -5.916 6.223 -6.000 1.00 0.00 N ATOM 355 CA THR A 377 -6.968 7.189 -6.271 1.00 0.00 C ATOM 356 C THR A 377 -8.327 6.510 -6.338 1.00 0.00 C ATOM 357 O THR A 377 -8.413 5.296 -6.521 1.00 0.00 O ATOM 358 CB THR A 377 -6.704 7.940 -7.588 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.761 7.028 -8.692 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.339 8.612 -7.552 1.00 0.00 C ATOM 0 H THR A 377 -6.044 5.321 -6.458 1.00 0.00 H new ATOM 0 HA THR A 377 -6.970 7.906 -5.450 1.00 0.00 H new ATOM 0 HB THR A 377 -7.471 8.704 -7.710 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.594 7.514 -9.527 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.168 9.139 -8.491 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.305 9.322 -6.726 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.565 7.857 -7.413 1.00 0.00 H new ATOM 368 N GLU A 378 -9.383 7.300 -6.170 1.00 0.00 N ATOM 369 CA GLU A 378 -10.746 6.781 -6.191 1.00 0.00 C ATOM 370 C GLU A 378 -10.955 5.840 -7.367 1.00 0.00 C ATOM 371 O GLU A 378 -11.588 4.795 -7.235 1.00 0.00 O ATOM 372 CB GLU A 378 -11.748 7.933 -6.257 1.00 0.00 C ATOM 373 CG GLU A 378 -13.200 7.488 -6.166 1.00 0.00 C ATOM 374 CD GLU A 378 -14.172 8.650 -6.224 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.100 9.530 -5.340 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.007 8.680 -7.152 1.00 0.00 O ATOM 0 H GLU A 378 -9.320 8.307 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.908 6.218 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.540 8.631 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.602 8.477 -7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.416 6.798 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.350 6.940 -5.236 1.00 0.00 H new ATOM 383 N GLY A 379 -10.416 6.218 -8.516 1.00 0.00 N ATOM 384 CA GLY A 379 -10.556 5.397 -9.701 1.00 0.00 C ATOM 385 C GLY A 379 -9.886 4.047 -9.562 1.00 0.00 C ATOM 386 O GLY A 379 -10.415 3.037 -10.024 1.00 0.00 O ATOM 0 H GLY A 379 -9.884 7.078 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.615 5.252 -9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.129 5.923 -10.555 1.00 0.00 H new ATOM 390 N SER A 380 -8.720 4.027 -8.931 1.00 0.00 N ATOM 391 CA SER A 380 -7.983 2.785 -8.745 1.00 0.00 C ATOM 392 C SER A 380 -8.682 1.861 -7.753 1.00 0.00 C ATOM 393 O SER A 380 -8.891 0.683 -8.031 1.00 0.00 O ATOM 394 CB SER A 380 -6.567 3.078 -8.267 1.00 0.00 C ATOM 395 OG SER A 380 -5.853 3.853 -9.216 1.00 0.00 O ATOM 0 H SER A 380 -8.266 4.853 -8.541 1.00 0.00 H new ATOM 0 HA SER A 380 -7.943 2.278 -9.709 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.605 3.608 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.040 2.141 -8.089 1.00 0.00 H new ATOM 0 HG SER A 380 -6.085 4.799 -9.107 1.00 0.00 H new ATOM 401 N CYS A 381 -9.026 2.404 -6.590 1.00 0.00 N ATOM 402 CA CYS A 381 -9.681 1.635 -5.533 1.00 0.00 C ATOM 403 C CYS A 381 -10.911 0.882 -6.036 1.00 0.00 C ATOM 404 O CYS A 381 -11.082 -0.301 -5.739 1.00 0.00 O ATOM 405 CB CYS A 381 -10.075 2.562 -4.388 1.00 0.00 C ATOM 406 SG CYS A 381 -8.686 3.519 -3.704 1.00 0.00 S ATOM 0 H CYS A 381 -8.861 3.382 -6.353 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.966 0.891 -5.183 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.841 3.253 -4.740 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.523 1.969 -3.591 1.00 0.00 H new ATOM 411 N ASN A 382 -11.766 1.569 -6.786 1.00 0.00 N ATOM 412 CA ASN A 382 -12.983 0.953 -7.316 1.00 0.00 C ATOM 413 C ASN A 382 -12.657 -0.332 -8.066 1.00 0.00 C ATOM 414 O ASN A 382 -13.480 -1.244 -8.152 1.00 0.00 O ATOM 415 CB ASN A 382 -13.704 1.916 -8.263 1.00 0.00 C ATOM 416 CG ASN A 382 -14.005 3.261 -7.630 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.620 3.431 -6.371 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.581 4.142 -8.268 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.642 2.549 -7.041 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.631 0.720 -6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.091 2.069 -9.152 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.637 1.460 -8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.861 3.972 -9.234 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.778 5.042 -7.831 1.00 0.00 H new ATOM 425 N LYS A 383 -11.456 -0.381 -8.621 1.00 0.00 N ATOM 426 CA LYS A 383 -11.002 -1.527 -9.389 1.00 0.00 C ATOM 427 C LYS A 383 -10.395 -2.599 -8.487 1.00 0.00 C ATOM 428 O LYS A 383 -10.465 -3.791 -8.790 1.00 0.00 O ATOM 429 CB LYS A 383 -9.985 -1.051 -10.422 1.00 0.00 C ATOM 430 CG LYS A 383 -10.477 0.153 -11.213 1.00 0.00 C ATOM 431 CD LYS A 383 -9.366 0.780 -12.040 1.00 0.00 C ATOM 432 CE LYS A 383 -8.840 -0.177 -13.099 1.00 0.00 C ATOM 433 NZ LYS A 383 -7.776 0.448 -13.930 1.00 0.00 N ATOM 0 H LYS A 383 -10.771 0.371 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.856 -1.980 -9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.053 -0.794 -9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.761 -1.867 -11.110 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.291 -0.152 -11.871 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.883 0.897 -10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -9.737 1.685 -12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -8.549 1.080 -11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -8.446 -1.072 -12.617 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -9.661 -0.496 -13.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -7.443 -0.236 -14.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -8.159 1.287 -14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -6.981 0.730 -13.322 1.00 0.00 H new ATOM 447 N LYS A 384 -9.788 -2.167 -7.386 1.00 0.00 N ATOM 448 CA LYS A 384 -9.156 -3.079 -6.447 1.00 0.00 C ATOM 449 C LYS A 384 -10.177 -3.946 -5.716 1.00 0.00 C ATOM 450 O LYS A 384 -11.146 -3.438 -5.149 1.00 0.00 O ATOM 451 CB LYS A 384 -8.332 -2.276 -5.442 1.00 0.00 C ATOM 452 CG LYS A 384 -6.958 -1.846 -5.948 1.00 0.00 C ATOM 453 CD LYS A 384 -6.983 -1.321 -7.377 1.00 0.00 C ATOM 454 CE LYS A 384 -6.694 -2.420 -8.390 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.732 -1.910 -9.789 1.00 0.00 N ATOM 0 H LYS A 384 -9.722 -1.184 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.508 -3.750 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.895 -1.387 -5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.202 -2.873 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.561 -1.072 -5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.275 -2.694 -5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.959 -0.882 -7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.246 -0.525 -7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.714 -2.852 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.425 -3.221 -8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.509 -2.370 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.884 -0.881 -9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.830 -2.122 -10.260 1.00 0.00 H new ATOM 469 N ASP A 385 -9.940 -5.257 -5.718 1.00 0.00 N ATOM 470 CA ASP A 385 -10.827 -6.195 -5.039 1.00 0.00 C ATOM 471 C ASP A 385 -10.598 -6.138 -3.532 1.00 0.00 C ATOM 472 O ASP A 385 -9.946 -5.224 -3.036 1.00 0.00 O ATOM 473 CB ASP A 385 -10.592 -7.616 -5.552 1.00 0.00 C ATOM 474 CG ASP A 385 -10.847 -7.744 -7.042 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.987 -7.473 -7.474 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.906 -8.115 -7.774 1.00 0.00 O ATOM 0 H ASP A 385 -9.142 -5.691 -6.182 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.859 -5.913 -5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.566 -7.912 -5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.243 -8.305 -5.014 1.00 0.00 H new ATOM 481 N GLN A 386 -11.128 -7.120 -2.809 1.00 0.00 N ATOM 482 CA GLN A 386 -10.973 -7.166 -1.356 1.00 0.00 C ATOM 483 C GLN A 386 -9.500 -7.097 -0.962 1.00 0.00 C ATOM 484 O GLN A 386 -9.081 -6.189 -0.243 1.00 0.00 O ATOM 485 CB GLN A 386 -11.611 -8.445 -0.800 1.00 0.00 C ATOM 486 CG GLN A 386 -11.592 -8.548 0.721 1.00 0.00 C ATOM 487 CD GLN A 386 -10.201 -8.759 1.289 1.00 0.00 C ATOM 488 OE1 GLN A 386 -9.532 -9.745 0.976 1.00 0.00 O ATOM 489 NE2 GLN A 386 -9.759 -7.833 2.130 1.00 0.00 N ATOM 0 H GLN A 386 -11.667 -7.892 -3.202 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.479 -6.300 -0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.644 -8.500 -1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.091 -9.307 -1.217 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -12.017 -7.638 1.146 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.233 -9.373 1.031 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.347 -7.032 2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -8.831 -7.922 2.545 1.00 0.00 H new ATOM 498 N ASN A 387 -8.720 -8.060 -1.437 1.00 0.00 N ATOM 499 CA ASN A 387 -7.299 -8.117 -1.138 1.00 0.00 C ATOM 500 C ASN A 387 -6.547 -6.947 -1.770 1.00 0.00 C ATOM 501 O ASN A 387 -5.447 -6.601 -1.341 1.00 0.00 O ATOM 502 CB ASN A 387 -6.723 -9.443 -1.632 1.00 0.00 C ATOM 503 CG ASN A 387 -5.231 -9.543 -1.420 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.741 -9.439 -0.296 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.498 -9.748 -2.505 1.00 0.00 N ATOM 0 H ASN A 387 -9.053 -8.816 -2.035 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.175 -8.045 -0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.216 -10.265 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.944 -9.558 -2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.484 -9.826 -2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.948 -9.828 -3.417 1.00 0.00 H new ATOM 512 N GLU A 388 -7.143 -6.349 -2.797 1.00 0.00 N ATOM 513 CA GLU A 388 -6.524 -5.227 -3.495 1.00 0.00 C ATOM 514 C GLU A 388 -6.894 -3.896 -2.854 1.00 0.00 C ATOM 515 O GLU A 388 -6.209 -2.893 -3.064 1.00 0.00 O ATOM 516 CB GLU A 388 -6.924 -5.240 -4.969 1.00 0.00 C ATOM 517 CG GLU A 388 -6.498 -6.503 -5.701 1.00 0.00 C ATOM 518 CD GLU A 388 -6.921 -6.507 -7.157 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.530 -5.513 -7.603 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.641 -7.507 -7.852 1.00 0.00 O ATOM 0 H GLU A 388 -8.054 -6.623 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.443 -5.339 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.006 -5.133 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.483 -4.376 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.414 -6.604 -5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.927 -7.371 -5.200 1.00 0.00 H new ATOM 527 N CYS A 389 -7.972 -3.883 -2.074 1.00 0.00 N ATOM 528 CA CYS A 389 -8.407 -2.661 -1.412 1.00 0.00 C ATOM 529 C CYS A 389 -7.275 -2.136 -0.537 1.00 0.00 C ATOM 530 O CYS A 389 -7.060 -2.611 0.578 1.00 0.00 O ATOM 531 CB CYS A 389 -9.665 -2.919 -0.578 1.00 0.00 C ATOM 532 SG CYS A 389 -10.563 -1.410 -0.090 1.00 0.00 S ATOM 0 H CYS A 389 -8.555 -4.699 -1.887 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.656 -1.911 -2.163 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.338 -3.561 -1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.385 -3.468 0.321 1.00 0.00 H new ATOM 537 N LYS A 390 -6.536 -1.176 -1.076 1.00 0.00 N ATOM 538 CA LYS A 390 -5.391 -0.595 -0.386 1.00 0.00 C ATOM 539 C LYS A 390 -5.806 0.265 0.802 1.00 0.00 C ATOM 540 O LYS A 390 -6.970 0.643 0.935 1.00 0.00 O ATOM 541 CB LYS A 390 -4.558 0.210 -1.376 1.00 0.00 C ATOM 542 CG LYS A 390 -3.931 -0.649 -2.467 1.00 0.00 C ATOM 543 CD LYS A 390 -2.874 -1.590 -1.905 1.00 0.00 C ATOM 544 CE LYS A 390 -1.697 -0.826 -1.315 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.015 0.018 -2.335 1.00 0.00 N ATOM 0 H LYS A 390 -6.711 -0.779 -1.999 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.791 -1.410 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.188 0.970 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.769 0.734 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.708 -1.230 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.481 -0.006 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.320 -2.221 -1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.519 -2.252 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.047 -0.196 -0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -0.982 -1.531 -0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.015 -0.057 -2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.278 -0.308 -3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.306 1.009 -2.216 1.00 0.00 H new ATOM 559 N SER A 391 -4.837 0.554 1.673 1.00 0.00 N ATOM 560 CA SER A 391 -5.076 1.349 2.866 1.00 0.00 C ATOM 561 C SER A 391 -5.770 2.669 2.533 1.00 0.00 C ATOM 562 O SER A 391 -6.823 2.968 3.096 1.00 0.00 O ATOM 563 CB SER A 391 -3.757 1.606 3.592 1.00 0.00 C ATOM 564 OG SER A 391 -3.128 0.389 3.955 1.00 0.00 O ATOM 0 H SER A 391 -3.871 0.243 1.567 1.00 0.00 H new ATOM 0 HA SER A 391 -5.742 0.786 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.092 2.185 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.940 2.204 4.484 1.00 0.00 H new ATOM 0 HG SER A 391 -2.344 0.243 3.385 1.00 0.00 H new ATOM 570 N PRO A 392 -5.212 3.483 1.606 1.00 0.00 N ATOM 571 CA PRO A 392 -5.820 4.753 1.218 1.00 0.00 C ATOM 572 C PRO A 392 -7.293 4.566 0.885 1.00 0.00 C ATOM 573 O PRO A 392 -8.125 5.436 1.150 1.00 0.00 O ATOM 574 CB PRO A 392 -5.025 5.172 -0.028 1.00 0.00 C ATOM 575 CG PRO A 392 -4.228 3.979 -0.419 1.00 0.00 C ATOM 576 CD PRO A 392 -3.974 3.246 0.853 1.00 0.00 C ATOM 0 HA PRO A 392 -5.784 5.500 2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.693 5.478 -0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.377 6.021 0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.772 3.357 -1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.294 4.270 -0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.800 2.184 0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.100 3.632 1.377 1.00 0.00 H new ATOM 584 N CYS A 393 -7.604 3.406 0.318 1.00 0.00 N ATOM 585 CA CYS A 393 -8.971 3.066 -0.038 1.00 0.00 C ATOM 586 C CYS A 393 -9.715 2.557 1.190 1.00 0.00 C ATOM 587 O CYS A 393 -9.126 1.913 2.059 1.00 0.00 O ATOM 588 CB CYS A 393 -8.992 1.987 -1.116 1.00 0.00 C ATOM 589 SG CYS A 393 -7.774 2.219 -2.450 1.00 0.00 S ATOM 0 H CYS A 393 -6.921 2.682 0.095 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.458 3.963 -0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.816 1.020 -0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.989 1.951 -1.555 1.00 0.00 H new ATOM 594 N LYS A 394 -11.007 2.835 1.252 1.00 0.00 N ATOM 595 CA LYS A 394 -11.826 2.389 2.372 1.00 0.00 C ATOM 596 C LYS A 394 -12.620 1.147 1.991 1.00 0.00 C ATOM 597 O LYS A 394 -13.399 1.162 1.038 1.00 0.00 O ATOM 598 CB LYS A 394 -12.764 3.506 2.830 1.00 0.00 C ATOM 599 CG LYS A 394 -13.636 3.120 4.013 1.00 0.00 C ATOM 600 CD LYS A 394 -14.448 4.299 4.531 1.00 0.00 C ATOM 601 CE LYS A 394 -13.572 5.327 5.235 1.00 0.00 C ATOM 602 NZ LYS A 394 -12.634 6.009 4.300 1.00 0.00 N ATOM 0 H LYS A 394 -11.512 3.366 0.543 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.165 2.134 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.171 4.381 3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.404 3.796 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.311 2.316 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.008 2.732 4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.969 4.774 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.211 3.939 5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.206 6.071 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.002 4.836 6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -12.563 7.015 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -11.695 5.568 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -12.989 5.920 3.326 1.00 0.00 H new ATOM 616 N TRP A 395 -12.405 0.073 2.738 1.00 0.00 N ATOM 617 CA TRP A 395 -13.087 -1.187 2.482 1.00 0.00 C ATOM 618 C TRP A 395 -14.521 -1.158 3.004 1.00 0.00 C ATOM 619 O TRP A 395 -14.809 -0.528 4.022 1.00 0.00 O ATOM 620 CB TRP A 395 -12.320 -2.343 3.123 1.00 0.00 C ATOM 621 CG TRP A 395 -12.934 -3.684 2.857 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.294 -4.617 3.786 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.255 -4.244 1.578 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.824 -5.721 3.165 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.810 -5.517 1.810 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.130 -3.795 0.258 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.238 -6.343 0.775 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.556 -4.617 -0.767 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.104 -5.878 -0.504 1.00 0.00 C ATOM 0 H TRP A 395 -11.761 0.050 3.529 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.123 -1.335 1.403 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.296 -2.340 2.751 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.268 -2.182 4.200 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.179 -4.503 4.854 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.171 -6.557 3.636 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.708 -2.824 0.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.661 -7.316 0.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.465 -4.281 -1.789 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.428 -6.496 -1.328 1.00 0.00 H new ATOM 640 N HIS A 396 -15.415 -1.851 2.301 1.00 0.00 N ATOM 641 CA HIS A 396 -16.817 -1.911 2.696 1.00 0.00 C ATOM 642 C HIS A 396 -17.314 -3.354 2.699 1.00 0.00 C ATOM 643 O HIS A 396 -17.429 -3.985 1.645 1.00 0.00 O ATOM 644 CB HIS A 396 -17.671 -1.065 1.750 1.00 0.00 C ATOM 645 CG HIS A 396 -17.271 0.376 1.713 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.290 1.191 2.825 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.834 1.149 0.690 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.884 2.403 2.489 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.601 2.404 1.199 1.00 0.00 N ATOM 0 H HIS A 396 -15.192 -2.377 1.456 1.00 0.00 H new ATOM 0 HA HIS A 396 -16.906 -1.511 3.706 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.603 -1.479 0.744 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.715 -1.136 2.054 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.695 0.837 -0.335 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.798 3.248 3.156 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.264 3.206 0.667 1.00 0.00 H new ATOM 658 N ASN A 397 -17.603 -3.867 3.893 1.00 0.00 N ATOM 659 CA ASN A 397 -18.085 -5.235 4.053 1.00 0.00 C ATOM 660 C ASN A 397 -19.607 -5.291 3.930 1.00 0.00 C ATOM 661 O ASN A 397 -20.306 -4.373 4.361 1.00 0.00 O ATOM 662 CB ASN A 397 -17.643 -5.794 5.407 1.00 0.00 C ATOM 663 CG ASN A 397 -17.888 -7.286 5.532 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.019 -7.753 5.413 1.00 0.00 O ATOM 665 ND2 ASN A 397 -16.825 -8.043 5.774 1.00 0.00 N ATOM 0 H ASN A 397 -17.511 -3.351 4.768 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.655 -5.846 3.260 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -16.582 -5.591 5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.177 -5.274 6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -16.929 -9.053 5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -15.904 -7.614 5.866 1.00 0.00 H new ATOM 672 N ASP A 398 -20.110 -6.369 3.331 1.00 0.00 N ATOM 673 CA ASP A 398 -21.549 -6.544 3.138 1.00 0.00 C ATOM 674 C ASP A 398 -22.133 -5.378 2.348 1.00 0.00 C ATOM 675 O ASP A 398 -23.276 -4.976 2.567 1.00 0.00 O ATOM 676 CB ASP A 398 -22.269 -6.674 4.484 1.00 0.00 C ATOM 677 CG ASP A 398 -21.874 -7.927 5.241 1.00 0.00 C ATOM 678 OD1 ASP A 398 -22.036 -9.033 4.683 1.00 0.00 O ATOM 679 OD2 ASP A 398 -21.412 -7.802 6.394 1.00 0.00 O ATOM 0 H ASP A 398 -19.542 -7.135 2.970 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.700 -7.463 2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.047 -5.800 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.346 -6.680 4.316 1.00 0.00 H new ATOM 684 N ALA A 399 -21.340 -4.843 1.426 1.00 0.00 N ATOM 685 CA ALA A 399 -21.773 -3.726 0.597 1.00 0.00 C ATOM 686 C ALA A 399 -22.583 -4.214 -0.598 1.00 0.00 C ATOM 687 O ALA A 399 -22.439 -3.703 -1.708 1.00 0.00 O ATOM 688 CB ALA A 399 -20.573 -2.930 0.126 1.00 0.00 C ATOM 0 H ALA A 399 -20.392 -5.166 1.234 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.413 -3.082 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.909 -2.098 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.030 -2.545 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.916 -3.574 -0.458 1.00 0.00 H new ATOM 694 N GLU A 400 -23.422 -5.217 -0.353 1.00 0.00 N ATOM 695 CA GLU A 400 -24.264 -5.812 -1.384 1.00 0.00 C ATOM 696 C GLU A 400 -23.437 -6.687 -2.321 1.00 0.00 C ATOM 697 O GLU A 400 -23.958 -7.624 -2.928 1.00 0.00 O ATOM 698 CB GLU A 400 -25.003 -4.734 -2.179 1.00 0.00 C ATOM 699 CG GLU A 400 -26.016 -5.297 -3.158 1.00 0.00 C ATOM 700 CD GLU A 400 -26.758 -4.216 -3.919 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.436 -3.392 -3.269 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.661 -4.192 -5.163 1.00 0.00 O ATOM 0 H GLU A 400 -23.537 -5.640 0.568 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.004 -6.439 -0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.512 -4.066 -1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.276 -4.133 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.506 -5.950 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.734 -5.913 -2.617 1.00 0.00 H new ATOM 709 N ASN A 401 -22.149 -6.377 -2.433 1.00 0.00 N ATOM 710 CA ASN A 401 -21.252 -7.132 -3.296 1.00 0.00 C ATOM 711 C ASN A 401 -19.815 -6.657 -3.120 1.00 0.00 C ATOM 712 O ASN A 401 -19.023 -6.678 -4.063 1.00 0.00 O ATOM 713 CB ASN A 401 -21.690 -6.972 -4.748 1.00 0.00 C ATOM 714 CG ASN A 401 -21.565 -5.542 -5.235 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.698 -4.865 -5.360 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.465 -5.043 -5.470 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.704 -5.606 -1.935 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.297 -8.186 -3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.086 -7.622 -5.381 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.725 -7.299 -4.851 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -19.618 -5.601 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.400 -4.072 -5.774 1.00 0.00 H new ATOM 723 N LYS A 402 -19.492 -6.232 -1.901 1.00 0.00 N ATOM 724 CA LYS A 402 -18.154 -5.743 -1.573 1.00 0.00 C ATOM 725 C LYS A 402 -17.841 -4.456 -2.333 1.00 0.00 C ATOM 726 O LYS A 402 -18.063 -4.365 -3.540 1.00 0.00 O ATOM 727 CB LYS A 402 -17.094 -6.807 -1.883 1.00 0.00 C ATOM 728 CG LYS A 402 -17.106 -7.996 -0.930 1.00 0.00 C ATOM 729 CD LYS A 402 -18.393 -8.800 -1.035 1.00 0.00 C ATOM 730 CE LYS A 402 -18.376 -10.002 -0.106 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.215 -9.602 1.320 1.00 0.00 N ATOM 0 H LYS A 402 -20.145 -6.216 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.132 -5.529 -0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.245 -7.169 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.109 -6.342 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -16.256 -8.643 -1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.983 -7.641 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.243 -8.162 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.531 -9.135 -2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.303 -10.564 -0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.561 -10.668 -0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.427 -10.414 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.237 -9.289 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.869 -8.823 1.538 1.00 0.00 H new ATOM 745 N LYS A 403 -17.331 -3.456 -1.616 1.00 0.00 N ATOM 746 CA LYS A 403 -17.001 -2.174 -2.227 1.00 0.00 C ATOM 747 C LYS A 403 -15.730 -1.573 -1.638 1.00 0.00 C ATOM 748 O LYS A 403 -15.445 -1.726 -0.451 1.00 0.00 O ATOM 749 CB LYS A 403 -18.160 -1.193 -2.057 1.00 0.00 C ATOM 750 CG LYS A 403 -19.438 -1.644 -2.740 1.00 0.00 C ATOM 751 CD LYS A 403 -20.515 -0.571 -2.688 1.00 0.00 C ATOM 752 CE LYS A 403 -20.080 0.700 -3.406 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.776 0.452 -4.842 1.00 0.00 N ATOM 0 H LYS A 403 -17.139 -3.510 -0.616 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.826 -2.356 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.355 -1.054 -0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.866 -0.223 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.226 -1.896 -3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.806 -2.551 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.430 -0.951 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.748 -0.340 -1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.868 1.449 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.198 1.111 -2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.683 1.361 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.885 -0.079 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.547 -0.099 -5.270 1.00 0.00 H new ATOM 767 N CYS A 404 -14.976 -0.877 -2.485 1.00 0.00 N ATOM 768 CA CYS A 404 -13.735 -0.228 -2.075 1.00 0.00 C ATOM 769 C CYS A 404 -13.600 1.113 -2.794 1.00 0.00 C ATOM 770 O CYS A 404 -13.676 1.174 -4.021 1.00 0.00 O ATOM 771 CB CYS A 404 -12.534 -1.125 -2.401 1.00 0.00 C ATOM 772 SG CYS A 404 -10.927 -0.462 -1.855 1.00 0.00 S ATOM 0 H CYS A 404 -15.207 -0.748 -3.470 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.758 -0.059 -0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.688 -2.099 -1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.499 -1.287 -3.478 1.00 0.00 H new ATOM 777 N THR A 405 -13.419 2.190 -2.030 1.00 0.00 N ATOM 778 CA THR A 405 -13.300 3.524 -2.618 1.00 0.00 C ATOM 779 C THR A 405 -12.276 4.384 -1.886 1.00 0.00 C ATOM 780 O THR A 405 -12.257 4.442 -0.658 1.00 0.00 O ATOM 781 CB THR A 405 -14.653 4.258 -2.614 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.126 4.405 -1.269 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.685 3.506 -3.439 1.00 0.00 C ATOM 0 H THR A 405 -13.352 2.166 -1.012 1.00 0.00 H new ATOM 0 HA THR A 405 -12.965 3.374 -3.644 1.00 0.00 H new ATOM 0 HB THR A 405 -14.506 5.242 -3.059 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.374 4.317 -0.646 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.631 4.047 -3.419 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.337 3.422 -4.468 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.828 2.509 -3.022 1.00 0.00 H new ATOM 791 N LEU A 406 -11.435 5.061 -2.661 1.00 0.00 N ATOM 792 CA LEU A 406 -10.401 5.933 -2.123 1.00 0.00 C ATOM 793 C LEU A 406 -11.007 7.016 -1.243 1.00 0.00 C ATOM 794 O LEU A 406 -12.106 7.507 -1.503 1.00 0.00 O ATOM 795 CB LEU A 406 -9.619 6.563 -3.275 1.00 0.00 C ATOM 796 CG LEU A 406 -8.293 7.237 -2.914 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.526 8.561 -2.211 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.437 6.312 -2.065 1.00 0.00 C ATOM 0 H LEU A 406 -11.452 5.019 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.726 5.339 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.417 5.788 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.258 7.304 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.756 7.445 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.567 9.017 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.088 9.227 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.091 8.392 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.499 6.809 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.969 6.065 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.228 5.398 -2.620 1.00 0.00 H new ATOM 810 N ASP A 407 -10.274 7.387 -0.204 1.00 0.00 N ATOM 811 CA ASP A 407 -10.722 8.420 0.720 1.00 0.00 C ATOM 812 C ASP A 407 -9.584 9.390 1.028 1.00 0.00 C ATOM 813 O ASP A 407 -8.466 8.973 1.326 1.00 0.00 O ATOM 814 CB ASP A 407 -11.240 7.781 2.010 1.00 0.00 C ATOM 815 CG ASP A 407 -11.910 8.782 2.932 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.232 9.731 3.373 1.00 0.00 O ATOM 817 OD2 ASP A 407 -13.116 8.614 3.212 1.00 0.00 O ATOM 0 H ASP A 407 -9.363 6.987 0.021 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.534 8.978 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.949 6.992 1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.410 7.309 2.535 1.00 0.00 H new ATOM 822 N LYS A 408 -9.875 10.684 0.942 1.00 0.00 N ATOM 823 CA LYS A 408 -8.874 11.714 1.202 1.00 0.00 C ATOM 824 C LYS A 408 -8.385 11.656 2.645 1.00 0.00 C ATOM 825 O LYS A 408 -7.183 11.684 2.904 1.00 0.00 O ATOM 826 CB LYS A 408 -9.449 13.101 0.908 1.00 0.00 C ATOM 827 CG LYS A 408 -9.909 13.282 -0.530 1.00 0.00 C ATOM 828 CD LYS A 408 -10.468 14.677 -0.762 1.00 0.00 C ATOM 829 CE LYS A 408 -10.916 14.866 -2.202 1.00 0.00 C ATOM 830 NZ LYS A 408 -9.793 14.686 -3.163 1.00 0.00 N ATOM 0 H LYS A 408 -10.796 11.045 0.694 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.026 11.528 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.292 13.284 1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -8.693 13.853 1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -9.072 13.107 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.671 12.539 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.311 14.848 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.709 15.420 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.708 14.153 -2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.340 15.863 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -10.073 15.049 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -8.959 15.207 -2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -9.561 13.675 -3.241 1.00 0.00 H new ATOM 844 N GLU A 409 -9.328 11.585 3.578 1.00 0.00 N ATOM 845 CA GLU A 409 -9.003 11.531 5.000 1.00 0.00 C ATOM 846 C GLU A 409 -8.176 10.294 5.337 1.00 0.00 C ATOM 847 O GLU A 409 -7.259 10.354 6.156 1.00 0.00 O ATOM 848 CB GLU A 409 -10.287 11.540 5.833 1.00 0.00 C ATOM 849 CG GLU A 409 -11.182 12.741 5.570 1.00 0.00 C ATOM 850 CD GLU A 409 -10.524 14.061 5.932 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.499 14.408 5.307 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.035 14.748 6.841 1.00 0.00 O ATOM 0 H GLU A 409 -10.327 11.563 3.375 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.407 12.412 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.848 10.629 5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.023 11.520 6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.460 12.757 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -12.104 12.632 6.141 1.00 0.00 H new ATOM 859 N GLU A 410 -8.512 9.170 4.711 1.00 0.00 N ATOM 860 CA GLU A 410 -7.806 7.919 4.954 1.00 0.00 C ATOM 861 C GLU A 410 -6.394 7.962 4.381 1.00 0.00 C ATOM 862 O GLU A 410 -5.441 7.522 5.023 1.00 0.00 O ATOM 863 CB GLU A 410 -8.582 6.747 4.346 1.00 0.00 C ATOM 864 CG GLU A 410 -7.940 5.392 4.602 1.00 0.00 C ATOM 865 CD GLU A 410 -7.915 5.016 6.073 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.441 5.794 6.899 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.371 3.940 6.401 1.00 0.00 O ATOM 0 H GLU A 410 -9.270 9.101 4.031 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.731 7.779 6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.594 6.743 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.671 6.900 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.484 4.628 4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.920 5.401 4.217 1.00 0.00 H new ATOM 874 N ALA A 411 -6.268 8.485 3.166 1.00 0.00 N ATOM 875 CA ALA A 411 -4.973 8.575 2.503 1.00 0.00 C ATOM 876 C ALA A 411 -4.022 9.493 3.259 1.00 0.00 C ATOM 877 O ALA A 411 -2.863 9.145 3.479 1.00 0.00 O ATOM 878 CB ALA A 411 -5.146 9.056 1.070 1.00 0.00 C ATOM 0 H ALA A 411 -7.047 8.853 2.621 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.534 7.578 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.171 9.119 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -5.777 8.354 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.614 10.040 1.071 1.00 0.00 H new ATOM 884 N LYS A 412 -4.510 10.664 3.653 1.00 0.00 N ATOM 885 CA LYS A 412 -3.685 11.616 4.384 1.00 0.00 C ATOM 886 C LYS A 412 -3.278 11.044 5.739 1.00 0.00 C ATOM 887 O LYS A 412 -2.156 11.251 6.198 1.00 0.00 O ATOM 888 CB LYS A 412 -4.421 12.955 4.548 1.00 0.00 C ATOM 889 CG LYS A 412 -5.735 12.867 5.316 1.00 0.00 C ATOM 890 CD LYS A 412 -5.531 12.940 6.825 1.00 0.00 C ATOM 891 CE LYS A 412 -5.122 14.335 7.280 1.00 0.00 C ATOM 892 NZ LYS A 412 -3.773 14.719 6.779 1.00 0.00 N ATOM 0 H LYS A 412 -5.466 10.975 3.480 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.777 11.799 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -3.762 13.656 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.620 13.369 3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.392 13.678 5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.238 11.933 5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.453 12.650 7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -4.766 12.223 7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.857 15.059 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.128 14.376 8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -3.309 15.341 7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -3.197 13.864 6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -3.869 15.221 5.873 1.00 0.00 H new ATOM 906 N LYS A 413 -4.199 10.324 6.373 1.00 0.00 N ATOM 907 CA LYS A 413 -3.949 9.722 7.670 1.00 0.00 C ATOM 908 C LYS A 413 -2.846 8.670 7.585 1.00 0.00 C ATOM 909 O LYS A 413 -1.911 8.672 8.387 1.00 0.00 O ATOM 910 CB LYS A 413 -5.231 9.081 8.191 1.00 0.00 C ATOM 911 CG LYS A 413 -5.189 8.783 9.673 1.00 0.00 C ATOM 912 CD LYS A 413 -6.449 8.071 10.144 1.00 0.00 C ATOM 913 CE LYS A 413 -6.602 6.709 9.483 1.00 0.00 C ATOM 914 NZ LYS A 413 -7.824 5.999 9.950 1.00 0.00 N ATOM 0 H LYS A 413 -5.132 10.145 6.002 1.00 0.00 H new ATOM 0 HA LYS A 413 -3.622 10.505 8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -6.071 9.744 7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -5.414 8.155 7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -4.319 8.166 9.895 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -5.069 9.714 10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -6.416 7.949 11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -7.321 8.685 9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -6.646 6.834 8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -5.724 6.100 9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -7.549 5.151 10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -8.379 6.630 10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -8.398 5.720 9.129 1.00 0.00 H new ATOM 928 N VAL A 414 -2.965 7.770 6.612 1.00 0.00 N ATOM 929 CA VAL A 414 -1.984 6.707 6.423 1.00 0.00 C ATOM 930 C VAL A 414 -0.640 7.266 5.970 1.00 0.00 C ATOM 931 O VAL A 414 0.409 6.877 6.481 1.00 0.00 O ATOM 932 CB VAL A 414 -2.477 5.671 5.396 1.00 0.00 C ATOM 933 CG1 VAL A 414 -1.439 4.578 5.190 1.00 0.00 C ATOM 934 CG2 VAL A 414 -3.805 5.076 5.837 1.00 0.00 C ATOM 0 H VAL A 414 -3.733 7.757 5.941 1.00 0.00 H new ATOM 0 HA VAL A 414 -1.856 6.218 7.389 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.627 6.178 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.809 3.858 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -0.512 5.021 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -1.251 4.072 6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -4.139 4.346 5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -3.681 4.586 6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -4.548 5.869 5.925 1.00 0.00 H new ATOM 944 N ALA A 415 -0.681 8.181 5.008 1.00 0.00 N ATOM 945 CA ALA A 415 0.530 8.797 4.479 1.00 0.00 C ATOM 946 C ALA A 415 1.325 9.479 5.587 1.00 0.00 C ATOM 947 O ALA A 415 2.556 9.427 5.603 1.00 0.00 O ATOM 948 CB ALA A 415 0.183 9.796 3.386 1.00 0.00 C ATOM 0 H ALA A 415 -1.544 8.514 4.577 1.00 0.00 H new ATOM 0 HA ALA A 415 1.151 8.010 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.098 10.247 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.337 9.284 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.461 10.574 3.796 1.00 0.00 H new ATOM 954 N ASP A 416 0.613 10.119 6.511 1.00 0.00 N ATOM 955 CA ASP A 416 1.252 10.813 7.626 1.00 0.00 C ATOM 956 C ASP A 416 1.692 9.831 8.709 1.00 0.00 C ATOM 957 O ASP A 416 1.644 10.142 9.899 1.00 0.00 O ATOM 958 CB ASP A 416 0.299 11.853 8.220 1.00 0.00 C ATOM 959 CG ASP A 416 -0.070 12.940 7.228 1.00 0.00 C ATOM 960 OD1 ASP A 416 0.419 12.891 6.080 1.00 0.00 O ATOM 961 OD2 ASP A 416 -0.848 13.843 7.601 1.00 0.00 O ATOM 0 H ASP A 416 -0.406 10.172 6.510 1.00 0.00 H new ATOM 0 HA ASP A 416 2.139 11.317 7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.608 11.355 8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.763 12.307 9.095 1.00 0.00 H new ATOM 966 N GLU A 417 2.124 8.647 8.289 1.00 0.00 N ATOM 967 CA GLU A 417 2.575 7.618 9.220 1.00 0.00 C ATOM 968 C GLU A 417 3.848 6.947 8.710 1.00 0.00 C ATOM 969 O GLU A 417 4.796 6.739 9.468 1.00 0.00 O ATOM 970 CB GLU A 417 1.482 6.568 9.420 1.00 0.00 C ATOM 971 CG GLU A 417 0.199 7.129 10.007 1.00 0.00 C ATOM 972 CD GLU A 417 0.381 7.649 11.420 1.00 0.00 C ATOM 973 OE1 GLU A 417 0.797 6.860 12.294 1.00 0.00 O ATOM 974 OE2 GLU A 417 0.106 8.845 11.653 1.00 0.00 O ATOM 0 H GLU A 417 2.172 8.375 7.307 1.00 0.00 H new ATOM 0 HA GLU A 417 2.791 8.096 10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 417 1.259 6.101 8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 417 1.859 5.784 10.076 1.00 0.00 H new ATOM 0 HG2 GLU A 417 -0.164 7.936 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 417 -0.566 6.353 10.005 1.00 0.00 H new ATOM 981 N THR A 418 3.859 6.610 7.424 1.00 0.00 N ATOM 982 CA THR A 418 5.012 5.963 6.808 1.00 0.00 C ATOM 983 C THR A 418 6.105 6.977 6.473 1.00 0.00 C ATOM 984 O THR A 418 6.658 6.966 5.373 1.00 0.00 O ATOM 985 CB THR A 418 4.609 5.214 5.524 1.00 0.00 C ATOM 986 OG1 THR A 418 4.105 6.140 4.553 1.00 0.00 O ATOM 987 CG2 THR A 418 3.551 4.163 5.823 1.00 0.00 C ATOM 0 H THR A 418 3.080 6.775 6.787 1.00 0.00 H new ATOM 0 HA THR A 418 5.400 5.248 7.534 1.00 0.00 H new ATOM 0 HB THR A 418 5.494 4.717 5.127 1.00 0.00 H new ATOM 0 HG1 THR A 418 3.853 5.656 3.739 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.281 3.646 4.902 1.00 0.00 H new ATOM 0 HG22 THR A 418 3.945 3.444 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 418 2.667 4.645 6.241 1.00 0.00 H new ATOM 995 N ALA A 419 6.407 7.855 7.427 1.00 0.00 N ATOM 996 CA ALA A 419 7.426 8.881 7.231 1.00 0.00 C ATOM 997 C ALA A 419 7.713 9.625 8.531 1.00 0.00 C ATOM 998 O ALA A 419 8.821 10.121 8.741 1.00 0.00 O ATOM 999 CB ALA A 419 6.989 9.858 6.151 1.00 0.00 C ATOM 0 H ALA A 419 5.960 7.876 8.344 1.00 0.00 H new ATOM 0 HA ALA A 419 8.345 8.389 6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 419 7.758 10.618 6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 419 6.839 9.322 5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 419 6.056 10.336 6.449 1.00 0.00 H new ATOM 1005 N LYS A 420 6.702 9.703 9.394 1.00 0.00 N ATOM 1006 CA LYS A 420 6.826 10.391 10.677 1.00 0.00 C ATOM 1007 C LYS A 420 7.035 11.888 10.472 1.00 0.00 C ATOM 1008 O LYS A 420 7.887 12.503 11.116 1.00 0.00 O ATOM 1009 CB LYS A 420 7.980 9.805 11.496 1.00 0.00 C ATOM 1010 CG LYS A 420 7.839 8.315 11.767 1.00 0.00 C ATOM 1011 CD LYS A 420 8.986 7.784 12.614 1.00 0.00 C ATOM 1012 CE LYS A 420 10.328 7.955 11.916 1.00 0.00 C ATOM 1013 NZ LYS A 420 10.373 7.236 10.612 1.00 0.00 N ATOM 0 H LYS A 420 5.782 9.295 9.226 1.00 0.00 H new ATOM 0 HA LYS A 420 5.897 10.243 11.228 1.00 0.00 H new ATOM 0 HB2 LYS A 420 8.917 9.983 10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 420 8.045 10.334 12.447 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.894 8.126 12.276 1.00 0.00 H new ATOM 0 HG3 LYS A 420 7.805 7.775 10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 420 9.004 8.306 13.570 1.00 0.00 H new ATOM 0 HD3 LYS A 420 8.820 6.729 12.830 1.00 0.00 H new ATOM 0 HE2 LYS A 420 10.519 9.016 11.752 1.00 0.00 H new ATOM 0 HE3 LYS A 420 11.123 7.584 12.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 11.351 7.219 10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 10.035 6.261 10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 9.765 7.725 9.925 1.00 0.00 H new ATOM 1027 N ASP A 421 6.243 12.468 9.573 1.00 0.00 N ATOM 1028 CA ASP A 421 6.321 13.895 9.276 1.00 0.00 C ATOM 1029 C ASP A 421 7.720 14.292 8.808 1.00 0.00 C ATOM 1030 O ASP A 421 8.260 15.314 9.233 1.00 0.00 O ATOM 1031 CB ASP A 421 5.926 14.717 10.504 1.00 0.00 C ATOM 1032 CG ASP A 421 4.510 14.424 10.961 1.00 0.00 C ATOM 1033 OD1 ASP A 421 3.573 14.635 10.163 1.00 0.00 O ATOM 1034 OD2 ASP A 421 4.338 13.984 12.117 1.00 0.00 O ATOM 0 H ASP A 421 5.536 11.967 9.035 1.00 0.00 H new ATOM 0 HA ASP A 421 5.622 14.104 8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 421 6.619 14.506 11.318 1.00 0.00 H new ATOM 0 HB3 ASP A 421 6.019 15.778 10.273 1.00 0.00 H new ATOM 1039 N GLY A 422 8.299 13.483 7.925 1.00 0.00 N ATOM 1040 CA GLY A 422 9.624 13.775 7.410 1.00 0.00 C ATOM 1041 C GLY A 422 9.619 14.946 6.447 1.00 0.00 C ATOM 1042 O GLY A 422 8.919 15.935 6.667 1.00 0.00 O ATOM 0 H GLY A 422 7.874 12.632 7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 422 10.295 13.993 8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 422 10.018 12.893 6.905 1.00 0.00 H new ATOM 1046 N LYS A 423 10.394 14.833 5.372 1.00 0.00 N ATOM 1047 CA LYS A 423 10.463 15.892 4.370 1.00 0.00 C ATOM 1048 C LYS A 423 9.132 16.026 3.638 1.00 0.00 C ATOM 1049 O LYS A 423 8.618 17.129 3.459 1.00 0.00 O ATOM 1050 CB LYS A 423 11.586 15.618 3.364 1.00 0.00 C ATOM 1051 CG LYS A 423 12.988 15.791 3.932 1.00 0.00 C ATOM 1052 CD LYS A 423 13.300 14.758 5.002 1.00 0.00 C ATOM 1053 CE LYS A 423 14.706 14.935 5.552 1.00 0.00 C ATOM 1054 NZ LYS A 423 15.741 14.798 4.490 1.00 0.00 N ATOM 0 H LYS A 423 10.981 14.023 5.173 1.00 0.00 H new ATOM 0 HA LYS A 423 10.678 16.828 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 423 11.481 14.600 2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 423 11.466 16.287 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 423 13.718 15.711 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 423 13.088 16.791 4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 423 12.577 14.843 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 423 13.195 13.757 4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 423 14.792 15.917 6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 423 14.886 14.195 6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 16.677 14.688 4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 15.532 13.963 3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 15.738 15.648 3.891 1.00 0.00 H new ATOM 1068 N THR A 424 8.577 14.890 3.220 1.00 0.00 N ATOM 1069 CA THR A 424 7.304 14.875 2.510 1.00 0.00 C ATOM 1070 C THR A 424 6.178 15.404 3.393 1.00 0.00 C ATOM 1071 O THR A 424 6.105 15.084 4.579 1.00 0.00 O ATOM 1072 CB THR A 424 6.944 13.456 2.032 1.00 0.00 C ATOM 1073 OG1 THR A 424 6.850 12.569 3.151 1.00 0.00 O ATOM 1074 CG2 THR A 424 7.984 12.934 1.052 1.00 0.00 C ATOM 0 H THR A 424 8.991 13.969 3.362 1.00 0.00 H new ATOM 0 HA THR A 424 7.417 15.524 1.641 1.00 0.00 H new ATOM 0 HB THR A 424 5.980 13.503 1.525 1.00 0.00 H new ATOM 0 HG1 THR A 424 6.619 11.670 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 424 7.708 11.930 0.729 1.00 0.00 H new ATOM 0 HG22 THR A 424 8.031 13.594 0.186 1.00 0.00 H new ATOM 0 HG23 THR A 424 8.959 12.903 1.538 1.00 0.00 H new ATOM 1082 N GLY A 425 5.305 16.216 2.807 1.00 0.00 N ATOM 1083 CA GLY A 425 4.196 16.778 3.556 1.00 0.00 C ATOM 1084 C GLY A 425 3.214 17.519 2.669 1.00 0.00 C ATOM 1085 O GLY A 425 2.796 17.004 1.632 1.00 0.00 O ATOM 0 H GLY A 425 5.345 16.495 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 425 3.674 15.978 4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 425 4.582 17.459 4.314 1.00 0.00 H new ATOM 1089 N ASN A 426 2.849 18.732 3.076 1.00 0.00 N ATOM 1090 CA ASN A 426 1.911 19.548 2.315 1.00 0.00 C ATOM 1091 C ASN A 426 2.170 21.033 2.548 1.00 0.00 C ATOM 1092 O ASN A 426 2.347 21.472 3.685 1.00 0.00 O ATOM 1093 CB ASN A 426 0.468 19.209 2.699 1.00 0.00 C ATOM 1094 CG ASN A 426 0.109 17.765 2.405 1.00 0.00 C ATOM 1095 OD1 ASN A 426 0.158 17.322 1.258 1.00 0.00 O ATOM 1096 ND2 ASN A 426 -0.253 17.023 3.445 1.00 0.00 N ATOM 0 H ASN A 426 3.190 19.171 3.931 1.00 0.00 H new ATOM 0 HA ASN A 426 2.058 19.328 1.258 1.00 0.00 H new ATOM 0 HB2 ASN A 426 0.323 19.406 3.761 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -0.212 19.866 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -0.505 16.044 3.310 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -0.279 17.432 4.379 1.00 0.00 H new ATOM 1103 N THR A 427 2.192 21.801 1.462 1.00 0.00 N ATOM 1104 CA THR A 427 2.431 23.236 1.544 1.00 0.00 C ATOM 1105 C THR A 427 1.366 23.925 2.391 1.00 0.00 C ATOM 1106 O THR A 427 0.171 23.681 2.224 1.00 0.00 O ATOM 1107 CB THR A 427 2.457 23.878 0.142 1.00 0.00 C ATOM 1108 OG1 THR A 427 3.456 23.247 -0.666 1.00 0.00 O ATOM 1109 CG2 THR A 427 2.744 25.371 0.233 1.00 0.00 C ATOM 0 H THR A 427 2.047 21.452 0.515 1.00 0.00 H new ATOM 0 HA THR A 427 3.404 23.370 2.016 1.00 0.00 H new ATOM 0 HB THR A 427 1.477 23.739 -0.314 1.00 0.00 H new ATOM 0 HG1 THR A 427 3.466 23.659 -1.555 1.00 0.00 H new ATOM 0 HG21 THR A 427 2.757 25.801 -0.769 1.00 0.00 H new ATOM 0 HG22 THR A 427 1.968 25.855 0.825 1.00 0.00 H new ATOM 0 HG23 THR A 427 3.713 25.527 0.707 1.00 0.00 H new ATOM 1117 N ASN A 428 1.813 24.791 3.298 1.00 0.00 N ATOM 1118 CA ASN A 428 0.913 25.523 4.176 1.00 0.00 C ATOM 1119 C ASN A 428 1.703 26.518 5.031 1.00 0.00 C ATOM 1120 O ASN A 428 2.510 27.285 4.505 1.00 0.00 O ATOM 1121 CB ASN A 428 0.122 24.548 5.057 1.00 0.00 C ATOM 1122 CG ASN A 428 -1.024 25.220 5.791 1.00 0.00 C ATOM 1123 OD1 ASN A 428 -1.028 25.104 7.115 1.00 0.00 O flip ATOM 1124 ND2 ASN A 428 -1.899 25.828 5.176 1.00 0.00 N flip ATOM 0 H ASN A 428 2.801 25.001 3.442 1.00 0.00 H new ATOM 0 HA ASN A 428 0.203 26.084 3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 428 -0.272 23.742 4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 428 0.795 24.092 5.783 1.00 0.00 H new ATOM 0 HD21 ASN A 428 -1.857 25.892 4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 428 -2.667 26.268 5.683 1.00 0.00 H new ATOM 1131 N THR A 429 1.475 26.509 6.343 1.00 0.00 N ATOM 1132 CA THR A 429 2.176 27.415 7.246 1.00 0.00 C ATOM 1133 C THR A 429 3.674 27.128 7.258 1.00 0.00 C ATOM 1134 O THR A 429 4.092 25.973 7.339 1.00 0.00 O ATOM 1135 CB THR A 429 1.630 27.308 8.681 1.00 0.00 C ATOM 1136 OG1 THR A 429 1.786 25.971 9.170 1.00 0.00 O ATOM 1137 CG2 THR A 429 0.161 27.701 8.729 1.00 0.00 C ATOM 0 H THR A 429 0.811 25.885 6.802 1.00 0.00 H new ATOM 0 HA THR A 429 2.007 28.426 6.876 1.00 0.00 H new ATOM 0 HB THR A 429 2.197 27.992 9.313 1.00 0.00 H new ATOM 0 HG1 THR A 429 1.437 25.914 10.084 1.00 0.00 H new ATOM 0 HG21 THR A 429 -0.205 27.618 9.753 1.00 0.00 H new ATOM 0 HG22 THR A 429 0.048 28.729 8.385 1.00 0.00 H new ATOM 0 HG23 THR A 429 -0.414 27.038 8.083 1.00 0.00 H new ATOM 1145 N THR A 430 4.473 28.191 7.171 1.00 0.00 N ATOM 1146 CA THR A 430 5.929 28.072 7.167 1.00 0.00 C ATOM 1147 C THR A 430 6.398 27.021 6.164 1.00 0.00 C ATOM 1148 O THR A 430 7.333 26.265 6.431 1.00 0.00 O ATOM 1149 CB THR A 430 6.479 27.720 8.564 1.00 0.00 C ATOM 1150 OG1 THR A 430 5.985 26.443 8.984 1.00 0.00 O ATOM 1151 CG2 THR A 430 6.086 28.778 9.585 1.00 0.00 C ATOM 0 H THR A 430 4.133 29.150 7.102 1.00 0.00 H new ATOM 0 HA THR A 430 6.318 29.047 6.873 1.00 0.00 H new ATOM 0 HB THR A 430 7.566 27.684 8.498 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.554 25.994 8.227 1.00 0.00 H new ATOM 0 HG21 THR A 430 6.486 28.507 10.562 1.00 0.00 H new ATOM 0 HG22 THR A 430 6.491 29.744 9.283 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.999 28.842 9.643 1.00 0.00 H new ATOM 1159 N GLY A 431 5.742 26.983 5.008 1.00 0.00 N ATOM 1160 CA GLY A 431 6.104 26.026 3.978 1.00 0.00 C ATOM 1161 C GLY A 431 7.424 26.363 3.314 1.00 0.00 C ATOM 1162 O GLY A 431 8.428 26.587 3.989 1.00 0.00 O ATOM 0 H GLY A 431 4.965 27.599 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 431 6.165 25.030 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 431 5.318 25.994 3.223 1.00 0.00 H new ATOM 1166 N SER A 432 7.418 26.396 1.984 1.00 0.00 N ATOM 1167 CA SER A 432 8.618 26.710 1.216 1.00 0.00 C ATOM 1168 C SER A 432 8.913 28.209 1.253 1.00 0.00 C ATOM 1169 O SER A 432 8.859 28.886 0.225 1.00 0.00 O ATOM 1170 CB SER A 432 8.457 26.243 -0.232 1.00 0.00 C ATOM 1171 OG SER A 432 8.234 24.845 -0.297 1.00 0.00 O ATOM 0 H SER A 432 6.593 26.208 1.415 1.00 0.00 H new ATOM 0 HA SER A 432 9.458 26.183 1.669 1.00 0.00 H new ATOM 0 HB2 SER A 432 7.623 26.769 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 432 9.351 26.498 -0.801 1.00 0.00 H new ATOM 0 HG SER A 432 8.133 24.573 -1.233 1.00 0.00 H new ATOM 1177 N SER A 433 9.221 28.721 2.444 1.00 0.00 N ATOM 1178 CA SER A 433 9.522 30.139 2.619 1.00 0.00 C ATOM 1179 C SER A 433 8.352 31.005 2.160 1.00 0.00 C ATOM 1180 O SER A 433 7.392 31.164 2.943 1.00 0.00 O ATOM 1181 CB SER A 433 10.790 30.516 1.849 1.00 0.00 C ATOM 1182 OG SER A 433 11.088 31.894 1.998 1.00 0.00 O ATOM 1183 OXT SER A 433 8.404 31.518 1.022 1.00 0.00 O ATOM 0 H SER A 433 9.268 28.173 3.303 1.00 0.00 H new ATOM 0 HA SER A 433 9.688 30.320 3.681 1.00 0.00 H new ATOM 0 HB2 SER A 433 11.628 29.919 2.208 1.00 0.00 H new ATOM 0 HB3 SER A 433 10.661 30.281 0.792 1.00 0.00 H new ATOM 0 HG SER A 433 11.903 32.108 1.498 1.00 0.00 H new TER 1189 SER A 433