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 401 ASN :FLIP amide:sc= -0.615 F(o=-9.6!,f=-3.4) USER MOD Set 1.2: A 403 LYS NZ :NH3+ -139:sc= -2.8! (180deg=-5.58!) USER MOD Set 2.1: A 394 LYS NZ :NH3+ -126:sc= -5.42! (180deg=-8.07!) USER MOD Set 2.2: A 396 HIS : no HD1:sc= -2.29! K(o=-8!,f=-8.5) USER MOD Set 2.3: A 405 THR OG1 : rot 130:sc= -0.24 USER MOD Set 3.1: A 373 GLN : amide:sc= -3.1! C(o=-3.1!,f=-6.1!) USER MOD Set 3.2: A 391 SER OG : rot 170:sc= 0 USER MOD Single : A 355 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 356 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 357 MET CE :methyl 136:sc= -0.135 (180deg=-0.655) USER MOD Single : A 362 THR OG1 : rot 180:sc=-0.00344 USER MOD Single : A 363 GLN :FLIP amide:sc= -0.047 F(o=-2!,f=-0.047) USER MOD Single : A 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 365 HIS : no HD1:sc= -0.471 K(o=-0.47,f=-4.1!) USER MOD Single : A 366 LYS NZ :NH3+ -166:sc= -0.0376 (180deg=-0.286) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -0.794 K(o=-0.79,f=-2.9!) USER MOD Single : A 372 GLN : amide:sc= -3.21! C(o=-3.2!,f=-6!) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot -159:sc= 0.918 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.76 F(o=-6.2!,f=-1.8) USER MOD Single : A 383 LYS NZ :NH3+ 164:sc= -0.0841 (180deg=-0.319) USER MOD Single : A 384 LYS NZ :NH3+ -117:sc= -0.425 (180deg=-3.27!) USER MOD Single : A 386 GLN : amide:sc=-0.00226 X(o=-0.0023,f=0.011) USER MOD Single : A 387 ASN :FLIP amide:sc= -2.23 F(o=-12!,f=-2.2) USER MOD Single : A 390 LYS NZ :NH3+ -129:sc= 0.0144 (180deg=-0.242) USER MOD Single : A 397 ASN : amide:sc= -1.65! C(o=-1.6!,f=-4.6!) USER MOD Single : A 402 LYS NZ :NH3+ 158:sc= -5.16! (180deg=-7.13!) USER MOD Single : A 408 LYS NZ :NH3+ -167:sc=-0.00609 (180deg=-0.219) USER MOD Single : A 412 LYS NZ :NH3+ -168:sc=-0.00453 (180deg=-0.185) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot -76:sc= 1.3 USER MOD Single : A 420 LYS NZ :NH3+ -165:sc= -0.046 (180deg=-0.301) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN :FLIP amide:sc= -0.0314 F(o=-1.7!,f=-0.031) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.9) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 11:sc= 0.623 USER MOD Single : A 432 SER OG : rot 59:sc= 0.44 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 9.481 -1.203 21.347 1.00 0.00 N ATOM 2 CA GLY A 354 9.089 -0.673 22.682 1.00 0.00 C ATOM 3 C GLY A 354 8.358 0.651 22.585 1.00 0.00 C ATOM 4 O GLY A 354 7.452 0.808 21.767 1.00 0.00 O ATOM 0 HA2 GLY A 354 8.453 -1.400 23.186 1.00 0.00 H new ATOM 0 HA3 GLY A 354 9.980 -0.549 23.297 1.00 0.00 H new ATOM 10 N SER A 355 8.752 1.607 23.422 1.00 0.00 N ATOM 11 CA SER A 355 8.127 2.926 23.426 1.00 0.00 C ATOM 12 C SER A 355 8.264 3.596 22.063 1.00 0.00 C ATOM 13 O SER A 355 7.302 4.159 21.538 1.00 0.00 O ATOM 14 CB SER A 355 8.751 3.810 24.509 1.00 0.00 C ATOM 15 OG SER A 355 10.143 3.974 24.295 1.00 0.00 O ATOM 0 H SER A 355 9.500 1.493 24.106 1.00 0.00 H new ATOM 0 HA SER A 355 7.067 2.796 23.643 1.00 0.00 H new ATOM 0 HB2 SER A 355 8.263 4.785 24.513 1.00 0.00 H new ATOM 0 HB3 SER A 355 8.581 3.365 25.489 1.00 0.00 H new ATOM 0 HG SER A 355 10.517 4.544 24.999 1.00 0.00 H new ATOM 21 N HIS A 356 9.464 3.531 21.492 1.00 0.00 N ATOM 22 CA HIS A 356 9.720 4.131 20.189 1.00 0.00 C ATOM 23 C HIS A 356 8.909 3.426 19.106 1.00 0.00 C ATOM 24 O HIS A 356 8.903 2.198 19.023 1.00 0.00 O ATOM 25 CB HIS A 356 11.212 4.063 19.857 1.00 0.00 C ATOM 26 CG HIS A 356 11.588 4.815 18.618 1.00 0.00 C ATOM 27 ND1 HIS A 356 11.392 6.173 18.474 1.00 0.00 N ATOM 28 CD2 HIS A 356 12.155 4.395 17.462 1.00 0.00 C ATOM 29 CE1 HIS A 356 11.822 6.555 17.285 1.00 0.00 C ATOM 30 NE2 HIS A 356 12.290 5.496 16.652 1.00 0.00 N ATOM 0 H HIS A 356 10.271 3.070 21.911 1.00 0.00 H new ATOM 0 HA HIS A 356 9.415 5.177 20.226 1.00 0.00 H new ATOM 0 HB2 HIS A 356 11.781 4.459 20.698 1.00 0.00 H new ATOM 0 HB3 HIS A 356 11.502 3.019 19.740 1.00 0.00 H new ATOM 0 HD2 HIS A 356 12.447 3.383 17.222 1.00 0.00 H new ATOM 0 HE1 HIS A 356 11.795 7.563 16.897 1.00 0.00 H new ATOM 0 HE2 HIS A 356 12.688 5.495 15.713 1.00 0.00 H new ATOM 39 N MET A 357 8.219 4.211 18.286 1.00 0.00 N ATOM 40 CA MET A 357 7.394 3.668 17.211 1.00 0.00 C ATOM 41 C MET A 357 8.249 3.098 16.081 1.00 0.00 C ATOM 42 O MET A 357 9.292 3.654 15.735 1.00 0.00 O ATOM 43 CB MET A 357 6.456 4.746 16.664 1.00 0.00 C ATOM 44 CG MET A 357 5.379 5.179 17.648 1.00 0.00 C ATOM 45 SD MET A 357 6.045 6.006 19.105 1.00 0.00 S ATOM 46 CE MET A 357 6.787 7.458 18.364 1.00 0.00 C ATOM 0 H MET A 357 8.214 5.229 18.345 1.00 0.00 H new ATOM 0 HA MET A 357 6.802 2.854 17.629 1.00 0.00 H new ATOM 0 HB2 MET A 357 7.046 5.617 16.379 1.00 0.00 H new ATOM 0 HB3 MET A 357 5.979 4.373 15.758 1.00 0.00 H new ATOM 0 HG2 MET A 357 4.682 5.849 17.144 1.00 0.00 H new ATOM 0 HG3 MET A 357 4.809 4.304 17.962 1.00 0.00 H new ATOM 0 HE1 MET A 357 6.542 8.337 18.961 1.00 0.00 H new ATOM 0 HE2 MET A 357 7.869 7.335 18.327 1.00 0.00 H new ATOM 0 HE3 MET A 357 6.402 7.588 17.353 1.00 0.00 H new ATOM 56 N LEU A 358 7.791 1.988 15.505 1.00 0.00 N ATOM 57 CA LEU A 358 8.501 1.336 14.408 1.00 0.00 C ATOM 58 C LEU A 358 7.625 0.265 13.760 1.00 0.00 C ATOM 59 O LEU A 358 7.023 -0.559 14.449 1.00 0.00 O ATOM 60 CB LEU A 358 9.813 0.709 14.898 1.00 0.00 C ATOM 61 CG LEU A 358 9.666 -0.510 15.818 1.00 0.00 C ATOM 62 CD1 LEU A 358 11.026 -1.134 16.093 1.00 0.00 C ATOM 63 CD2 LEU A 358 8.990 -0.126 17.125 1.00 0.00 C ATOM 0 H LEU A 358 6.928 1.520 15.782 1.00 0.00 H new ATOM 0 HA LEU A 358 8.736 2.098 13.665 1.00 0.00 H new ATOM 0 HB2 LEU A 358 10.401 0.416 14.028 1.00 0.00 H new ATOM 0 HB3 LEU A 358 10.384 1.473 15.426 1.00 0.00 H new ATOM 0 HG LEU A 358 9.039 -1.243 15.311 1.00 0.00 H new ATOM 0 HD11 LEU A 358 10.905 -1.997 16.747 1.00 0.00 H new ATOM 0 HD12 LEU A 358 11.477 -1.451 15.153 1.00 0.00 H new ATOM 0 HD13 LEU A 358 11.672 -0.401 16.576 1.00 0.00 H new ATOM 0 HD21 LEU A 358 8.898 -1.007 17.760 1.00 0.00 H new ATOM 0 HD22 LEU A 358 9.588 0.628 17.636 1.00 0.00 H new ATOM 0 HD23 LEU A 358 7.999 0.277 16.917 1.00 0.00 H new ATOM 75 N GLU A 359 7.556 0.286 12.432 1.00 0.00 N ATOM 76 CA GLU A 359 6.752 -0.683 11.694 1.00 0.00 C ATOM 77 C GLU A 359 7.627 -1.797 11.125 1.00 0.00 C ATOM 78 O GLU A 359 8.695 -1.540 10.570 1.00 0.00 O ATOM 79 CB GLU A 359 5.979 0.002 10.561 1.00 0.00 C ATOM 80 CG GLU A 359 4.981 1.048 11.039 1.00 0.00 C ATOM 81 CD GLU A 359 5.639 2.343 11.481 1.00 0.00 C ATOM 82 OE1 GLU A 359 6.866 2.482 11.296 1.00 0.00 O ATOM 83 OE2 GLU A 359 4.922 3.224 11.997 1.00 0.00 O ATOM 0 H GLU A 359 8.046 0.962 11.846 1.00 0.00 H new ATOM 0 HA GLU A 359 6.038 -1.122 12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 359 6.690 0.475 9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 359 5.448 -0.757 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 359 4.276 1.262 10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 359 4.405 0.639 11.869 1.00 0.00 H new ATOM 90 N VAL A 360 7.163 -3.035 11.265 1.00 0.00 N ATOM 91 CA VAL A 360 7.898 -4.193 10.765 1.00 0.00 C ATOM 92 C VAL A 360 8.056 -4.140 9.249 1.00 0.00 C ATOM 93 O VAL A 360 7.120 -3.783 8.532 1.00 0.00 O ATOM 94 CB VAL A 360 7.201 -5.512 11.151 1.00 0.00 C ATOM 95 CG1 VAL A 360 7.164 -5.679 12.661 1.00 0.00 C ATOM 96 CG2 VAL A 360 5.794 -5.563 10.570 1.00 0.00 C ATOM 0 H VAL A 360 6.280 -3.263 11.721 1.00 0.00 H new ATOM 0 HA VAL A 360 8.884 -4.161 11.229 1.00 0.00 H new ATOM 0 HB VAL A 360 7.776 -6.338 10.732 1.00 0.00 H new ATOM 0 HG11 VAL A 360 6.668 -6.617 12.911 1.00 0.00 H new ATOM 0 HG12 VAL A 360 8.182 -5.692 13.051 1.00 0.00 H new ATOM 0 HG13 VAL A 360 6.616 -4.848 13.106 1.00 0.00 H new ATOM 0 HG21 VAL A 360 5.317 -6.502 10.853 1.00 0.00 H new ATOM 0 HG22 VAL A 360 5.210 -4.728 10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 360 5.846 -5.496 9.483 1.00 0.00 H new ATOM 106 N LEU A 361 9.245 -4.506 8.770 1.00 0.00 N ATOM 107 CA LEU A 361 9.537 -4.512 7.337 1.00 0.00 C ATOM 108 C LEU A 361 9.495 -3.102 6.754 1.00 0.00 C ATOM 109 O LEU A 361 8.683 -2.271 7.162 1.00 0.00 O ATOM 110 CB LEU A 361 8.547 -5.419 6.596 1.00 0.00 C ATOM 111 CG LEU A 361 8.759 -5.522 5.083 1.00 0.00 C ATOM 112 CD1 LEU A 361 10.133 -6.095 4.769 1.00 0.00 C ATOM 113 CD2 LEU A 361 7.667 -6.374 4.453 1.00 0.00 C ATOM 0 H LEU A 361 10.025 -4.803 9.357 1.00 0.00 H new ATOM 0 HA LEU A 361 10.546 -4.901 7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 361 8.607 -6.420 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.537 -5.053 6.781 1.00 0.00 H new ATOM 0 HG LEU A 361 8.705 -4.519 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 361 10.262 -6.159 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 361 10.902 -5.447 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 361 10.220 -7.090 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 361 7.831 -6.438 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 361 7.692 -7.375 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 361 6.695 -5.920 4.646 1.00 0.00 H new ATOM 125 N THR A 362 10.379 -2.844 5.793 1.00 0.00 N ATOM 126 CA THR A 362 10.451 -1.540 5.142 1.00 0.00 C ATOM 127 C THR A 362 10.814 -0.443 6.140 1.00 0.00 C ATOM 128 O THR A 362 9.969 0.366 6.529 1.00 0.00 O ATOM 129 CB THR A 362 9.122 -1.183 4.444 1.00 0.00 C ATOM 130 OG1 THR A 362 8.753 -2.225 3.533 1.00 0.00 O ATOM 131 CG2 THR A 362 9.237 0.133 3.688 1.00 0.00 C ATOM 0 H THR A 362 11.057 -3.523 5.448 1.00 0.00 H new ATOM 0 HA THR A 362 11.235 -1.606 4.388 1.00 0.00 H new ATOM 0 HB THR A 362 8.356 -1.077 5.212 1.00 0.00 H new ATOM 0 HG1 THR A 362 7.908 -1.992 3.095 1.00 0.00 H new ATOM 0 HG21 THR A 362 8.286 0.360 3.206 1.00 0.00 H new ATOM 0 HG22 THR A 362 9.490 0.932 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 362 10.017 0.051 2.931 1.00 0.00 H new ATOM 139 N GLN A 363 12.078 -0.422 6.551 1.00 0.00 N ATOM 140 CA GLN A 363 12.558 0.574 7.502 1.00 0.00 C ATOM 141 C GLN A 363 14.084 0.571 7.573 1.00 0.00 C ATOM 142 O GLN A 363 14.666 0.806 8.633 1.00 0.00 O ATOM 143 CB GLN A 363 11.969 0.310 8.890 1.00 0.00 C ATOM 144 CG GLN A 363 12.294 -1.072 9.439 1.00 0.00 C ATOM 145 CD GLN A 363 11.716 -1.314 10.824 1.00 0.00 C ATOM 146 OE1 GLN A 363 11.045 -0.310 11.381 1.00 0.00 O flip ATOM 147 NE2 GLN A 363 11.872 -2.397 11.389 1.00 0.00 N flip ATOM 0 H GLN A 363 12.789 -1.084 6.240 1.00 0.00 H new ATOM 0 HA GLN A 363 12.232 1.555 7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 363 12.343 1.064 9.583 1.00 0.00 H new ATOM 0 HB3 GLN A 363 10.886 0.428 8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 363 11.910 -1.828 8.754 1.00 0.00 H new ATOM 0 HG3 GLN A 363 13.376 -1.196 9.477 1.00 0.00 H new ATOM 0 HE21 GLN A 363 12.393 -3.142 10.928 1.00 0.00 H new ATOM 0 HE22 GLN A 363 11.480 -2.549 12.318 1.00 0.00 H new ATOM 156 N LYS A 364 14.724 0.312 6.436 1.00 0.00 N ATOM 157 CA LYS A 364 16.181 0.287 6.370 1.00 0.00 C ATOM 158 C LYS A 364 16.672 0.493 4.939 1.00 0.00 C ATOM 159 O LYS A 364 16.227 -0.193 4.019 1.00 0.00 O ATOM 160 CB LYS A 364 16.719 -1.035 6.921 1.00 0.00 C ATOM 161 CG LYS A 364 16.187 -2.261 6.197 1.00 0.00 C ATOM 162 CD LYS A 364 16.815 -3.537 6.732 1.00 0.00 C ATOM 163 CE LYS A 364 16.282 -4.765 6.015 1.00 0.00 C ATOM 164 NZ LYS A 364 16.925 -6.016 6.504 1.00 0.00 N ATOM 0 H LYS A 364 14.257 0.117 5.550 1.00 0.00 H new ATOM 0 HA LYS A 364 16.556 1.107 6.982 1.00 0.00 H new ATOM 0 HB2 LYS A 364 17.807 -1.029 6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 364 16.463 -1.109 7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 364 15.104 -2.311 6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 364 16.392 -2.173 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 364 17.898 -3.488 6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 364 16.614 -3.622 7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 364 15.204 -4.830 6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 364 16.454 -4.663 4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 16.534 -6.831 5.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 17.951 -5.965 6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 16.739 -6.127 7.521 1.00 0.00 H new ATOM 178 N HIS A 365 17.603 1.435 4.775 1.00 0.00 N ATOM 179 CA HIS A 365 18.192 1.753 3.469 1.00 0.00 C ATOM 180 C HIS A 365 17.206 2.481 2.552 1.00 0.00 C ATOM 181 O HIS A 365 17.545 3.510 1.967 1.00 0.00 O ATOM 182 CB HIS A 365 18.704 0.482 2.784 1.00 0.00 C ATOM 183 CG HIS A 365 19.758 -0.238 3.566 1.00 0.00 C ATOM 184 ND1 HIS A 365 19.543 -0.745 4.832 1.00 0.00 N ATOM 185 CD2 HIS A 365 21.042 -0.539 3.257 1.00 0.00 C ATOM 186 CE1 HIS A 365 20.648 -1.324 5.266 1.00 0.00 C ATOM 187 NE2 HIS A 365 21.571 -1.213 4.329 1.00 0.00 N ATOM 0 H HIS A 365 17.971 1.999 5.541 1.00 0.00 H new ATOM 0 HA HIS A 365 19.030 2.425 3.653 1.00 0.00 H new ATOM 0 HB2 HIS A 365 17.865 -0.193 2.615 1.00 0.00 H new ATOM 0 HB3 HIS A 365 19.105 0.744 1.805 1.00 0.00 H new ATOM 0 HD2 HIS A 365 21.554 -0.294 2.338 1.00 0.00 H new ATOM 0 HE1 HIS A 365 20.775 -1.806 6.224 1.00 0.00 H new ATOM 0 HE2 HIS A 365 22.524 -1.571 4.392 1.00 0.00 H new ATOM 196 N LYS A 366 15.997 1.943 2.419 1.00 0.00 N ATOM 197 CA LYS A 366 14.981 2.542 1.559 1.00 0.00 C ATOM 198 C LYS A 366 13.583 2.335 2.138 1.00 0.00 C ATOM 199 O LYS A 366 13.280 1.271 2.678 1.00 0.00 O ATOM 200 CB LYS A 366 15.049 1.926 0.161 1.00 0.00 C ATOM 201 CG LYS A 366 16.398 2.094 -0.520 1.00 0.00 C ATOM 202 CD LYS A 366 16.453 1.345 -1.841 1.00 0.00 C ATOM 203 CE LYS A 366 16.336 -0.159 -1.640 1.00 0.00 C ATOM 204 NZ LYS A 366 17.444 -0.695 -0.803 1.00 0.00 N ATOM 0 H LYS A 366 15.697 1.093 2.896 1.00 0.00 H new ATOM 0 HA LYS A 366 15.178 3.612 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 366 14.818 0.863 0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 366 14.279 2.379 -0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 366 16.590 3.153 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 366 17.187 1.730 0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 366 15.647 1.689 -2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 366 17.390 1.572 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 366 15.381 -0.389 -1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 366 16.340 -0.656 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 17.469 -1.732 -0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 18.349 -0.301 -1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 17.289 -0.428 0.190 1.00 0.00 H new ATOM 218 N PRO A 367 12.703 3.350 2.022 1.00 0.00 N ATOM 219 CA PRO A 367 11.331 3.264 2.524 1.00 0.00 C ATOM 220 C PRO A 367 10.424 2.468 1.590 1.00 0.00 C ATOM 221 O PRO A 367 9.257 2.812 1.398 1.00 0.00 O ATOM 222 CB PRO A 367 10.898 4.720 2.580 1.00 0.00 C ATOM 223 CG PRO A 367 11.656 5.382 1.488 1.00 0.00 C ATOM 224 CD PRO A 367 12.970 4.652 1.379 1.00 0.00 C ATOM 0 HA PRO A 367 11.270 2.748 3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 367 9.823 4.819 2.432 1.00 0.00 H new ATOM 0 HB3 PRO A 367 11.129 5.165 3.548 1.00 0.00 H new ATOM 0 HG2 PRO A 367 11.106 5.333 0.548 1.00 0.00 H new ATOM 0 HG3 PRO A 367 11.815 6.437 1.710 1.00 0.00 H new ATOM 0 HD2 PRO A 367 13.275 4.530 0.340 1.00 0.00 H new ATOM 0 HD3 PRO A 367 13.771 5.191 1.885 1.00 0.00 H new ATOM 232 N ALA A 368 10.975 1.403 1.012 1.00 0.00 N ATOM 233 CA ALA A 368 10.234 0.547 0.094 1.00 0.00 C ATOM 234 C ALA A 368 11.086 -0.645 -0.329 1.00 0.00 C ATOM 235 O ALA A 368 12.296 -0.517 -0.514 1.00 0.00 O ATOM 236 CB ALA A 368 9.785 1.335 -1.129 1.00 0.00 C ATOM 0 H ALA A 368 11.940 1.112 1.166 1.00 0.00 H new ATOM 0 HA ALA A 368 9.349 0.176 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 368 9.234 0.679 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 368 9.142 2.157 -0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 368 10.658 1.734 -1.645 1.00 0.00 H new ATOM 242 N GLU A 369 10.452 -1.805 -0.475 1.00 0.00 N ATOM 243 CA GLU A 369 11.165 -3.016 -0.870 1.00 0.00 C ATOM 244 C GLU A 369 10.196 -4.094 -1.338 1.00 0.00 C ATOM 245 O GLU A 369 10.465 -4.809 -2.305 1.00 0.00 O ATOM 246 CB GLU A 369 12.008 -3.537 0.296 1.00 0.00 C ATOM 247 CG GLU A 369 12.798 -4.794 -0.032 1.00 0.00 C ATOM 248 CD GLU A 369 13.784 -4.584 -1.165 1.00 0.00 C ATOM 249 OE1 GLU A 369 14.678 -3.725 -1.024 1.00 0.00 O ATOM 250 OE2 GLU A 369 13.660 -5.282 -2.194 1.00 0.00 O ATOM 0 H GLU A 369 9.451 -1.932 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 369 11.823 -2.765 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 369 12.700 -2.755 0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 369 11.353 -3.741 1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 369 13.336 -5.123 0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 369 12.107 -5.593 -0.300 1.00 0.00 H new ATOM 257 N SER A 370 9.073 -4.205 -0.645 1.00 0.00 N ATOM 258 CA SER A 370 8.058 -5.196 -0.982 1.00 0.00 C ATOM 259 C SER A 370 6.766 -4.938 -0.213 1.00 0.00 C ATOM 260 O SER A 370 6.793 -4.611 0.973 1.00 0.00 O ATOM 261 CB SER A 370 8.570 -6.607 -0.683 1.00 0.00 C ATOM 262 OG SER A 370 8.877 -6.757 0.692 1.00 0.00 O ATOM 0 H SER A 370 8.839 -3.620 0.157 1.00 0.00 H new ATOM 0 HA SER A 370 7.847 -5.112 -2.048 1.00 0.00 H new ATOM 0 HB2 SER A 370 7.817 -7.340 -0.973 1.00 0.00 H new ATOM 0 HB3 SER A 370 9.458 -6.809 -1.281 1.00 0.00 H new ATOM 0 HG SER A 370 9.200 -7.667 0.858 1.00 0.00 H new ATOM 268 N GLN A 371 5.639 -5.086 -0.904 1.00 0.00 N ATOM 269 CA GLN A 371 4.327 -4.871 -0.300 1.00 0.00 C ATOM 270 C GLN A 371 4.202 -3.450 0.241 1.00 0.00 C ATOM 271 O GLN A 371 3.553 -3.215 1.261 1.00 0.00 O ATOM 272 CB GLN A 371 4.083 -5.883 0.823 1.00 0.00 C ATOM 273 CG GLN A 371 4.148 -7.333 0.365 1.00 0.00 C ATOM 274 CD GLN A 371 3.063 -7.686 -0.635 1.00 0.00 C ATOM 275 OE1 GLN A 371 2.993 -7.115 -1.724 1.00 0.00 O ATOM 276 NE2 GLN A 371 2.210 -8.635 -0.268 1.00 0.00 N ATOM 0 H GLN A 371 5.608 -5.355 -1.887 1.00 0.00 H new ATOM 0 HA GLN A 371 3.573 -5.013 -1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 371 4.822 -5.726 1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 371 3.104 -5.694 1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 371 5.123 -7.524 -0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 371 4.062 -7.987 1.233 1.00 0.00 H new ATOM 0 HE21 GLN A 371 2.305 -9.082 0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 371 1.459 -8.918 -0.898 1.00 0.00 H new ATOM 285 N GLN A 372 4.822 -2.503 -0.457 1.00 0.00 N ATOM 286 CA GLN A 372 4.778 -1.102 -0.055 1.00 0.00 C ATOM 287 C GLN A 372 3.446 -0.471 -0.444 1.00 0.00 C ATOM 288 O GLN A 372 3.012 -0.573 -1.591 1.00 0.00 O ATOM 289 CB GLN A 372 5.929 -0.328 -0.700 1.00 0.00 C ATOM 290 CG GLN A 372 5.938 1.153 -0.356 1.00 0.00 C ATOM 291 CD GLN A 372 6.049 1.406 1.134 1.00 0.00 C ATOM 292 OE1 GLN A 372 7.022 1.006 1.771 1.00 0.00 O ATOM 293 NE2 GLN A 372 5.049 2.074 1.697 1.00 0.00 N ATOM 0 H GLN A 372 5.361 -2.681 -1.304 1.00 0.00 H new ATOM 0 HA GLN A 372 4.882 -1.056 1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 372 6.874 -0.771 -0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 372 5.869 -0.440 -1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 372 6.772 1.635 -0.866 1.00 0.00 H new ATOM 0 HG3 GLN A 372 5.025 1.615 -0.732 1.00 0.00 H new ATOM 0 HE21 GLN A 372 4.261 2.387 1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 372 5.069 2.274 2.697 1.00 0.00 H new ATOM 302 N GLN A 373 2.803 0.185 0.516 1.00 0.00 N ATOM 303 CA GLN A 373 1.525 0.836 0.269 1.00 0.00 C ATOM 304 C GLN A 373 1.700 2.008 -0.690 1.00 0.00 C ATOM 305 O GLN A 373 2.709 2.713 -0.650 1.00 0.00 O ATOM 306 CB GLN A 373 0.905 1.323 1.577 1.00 0.00 C ATOM 307 CG GLN A 373 1.649 2.491 2.196 1.00 0.00 C ATOM 308 CD GLN A 373 1.040 2.962 3.507 1.00 0.00 C ATOM 309 OE1 GLN A 373 1.578 3.854 4.162 1.00 0.00 O ATOM 310 NE2 GLN A 373 -0.086 2.372 3.897 1.00 0.00 N ATOM 0 H GLN A 373 3.147 0.279 1.472 1.00 0.00 H new ATOM 0 HA GLN A 373 0.855 0.105 -0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 373 -0.129 1.616 1.394 1.00 0.00 H new ATOM 0 HB3 GLN A 373 0.881 0.498 2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 373 2.686 2.203 2.367 1.00 0.00 H new ATOM 0 HG3 GLN A 373 1.661 3.321 1.490 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -0.501 1.636 3.325 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -0.535 2.655 4.768 1.00 0.00 H new ATOM 319 N ALA A 374 0.714 2.208 -1.553 1.00 0.00 N ATOM 320 CA ALA A 374 0.757 3.292 -2.526 1.00 0.00 C ATOM 321 C ALA A 374 -0.492 4.163 -2.443 1.00 0.00 C ATOM 322 O ALA A 374 -1.610 3.654 -2.369 1.00 0.00 O ATOM 323 CB ALA A 374 0.922 2.731 -3.930 1.00 0.00 C ATOM 0 H ALA A 374 -0.127 1.633 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 374 1.616 3.921 -2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 374 0.953 3.551 -4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 374 1.850 2.163 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 374 0.081 2.077 -4.162 1.00 0.00 H new ATOM 329 N ALA A 375 -0.292 5.478 -2.466 1.00 0.00 N ATOM 330 CA ALA A 375 -1.397 6.429 -2.405 1.00 0.00 C ATOM 331 C ALA A 375 -2.260 6.336 -3.659 1.00 0.00 C ATOM 332 O ALA A 375 -2.104 7.122 -4.593 1.00 0.00 O ATOM 333 CB ALA A 375 -0.868 7.843 -2.230 1.00 0.00 C ATOM 0 H ALA A 375 0.630 5.910 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.017 6.179 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -1.704 8.541 -2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -0.294 7.905 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -0.226 8.098 -3.073 1.00 0.00 H new ATOM 339 N GLU A 376 -3.163 5.361 -3.675 1.00 0.00 N ATOM 340 CA GLU A 376 -4.045 5.149 -4.814 1.00 0.00 C ATOM 341 C GLU A 376 -5.031 6.308 -4.968 1.00 0.00 C ATOM 342 O GLU A 376 -4.763 7.426 -4.526 1.00 0.00 O ATOM 343 CB GLU A 376 -4.796 3.824 -4.641 1.00 0.00 C ATOM 344 CG GLU A 376 -3.880 2.638 -4.394 1.00 0.00 C ATOM 345 CD GLU A 376 -2.967 2.351 -5.570 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.487 2.086 -6.674 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.733 2.391 -5.387 1.00 0.00 O ATOM 0 H GLU A 376 -3.302 4.703 -2.908 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.441 5.105 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.492 3.916 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.392 3.634 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.275 2.829 -3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.484 1.755 -4.184 1.00 0.00 H new ATOM 354 N THR A 377 -6.172 6.031 -5.595 1.00 0.00 N ATOM 355 CA THR A 377 -7.204 7.038 -5.814 1.00 0.00 C ATOM 356 C THR A 377 -8.577 6.383 -5.841 1.00 0.00 C ATOM 357 O THR A 377 -8.684 5.170 -6.004 1.00 0.00 O ATOM 358 CB THR A 377 -6.982 7.801 -7.137 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.032 6.890 -8.242 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.644 8.524 -7.133 1.00 0.00 C ATOM 0 H THR A 377 -6.405 5.109 -5.963 1.00 0.00 H new ATOM 0 HA THR A 377 -7.146 7.750 -4.991 1.00 0.00 H new ATOM 0 HB THR A 377 -7.775 8.542 -7.237 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.892 7.382 -9.078 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.514 9.053 -8.077 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.619 9.238 -6.310 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.839 7.799 -7.009 1.00 0.00 H new ATOM 368 N GLU A 378 -9.622 7.184 -5.662 1.00 0.00 N ATOM 369 CA GLU A 378 -10.987 6.665 -5.651 1.00 0.00 C ATOM 370 C GLU A 378 -11.223 5.727 -6.822 1.00 0.00 C ATOM 371 O GLU A 378 -11.751 4.631 -6.657 1.00 0.00 O ATOM 372 CB GLU A 378 -11.990 7.814 -5.709 1.00 0.00 C ATOM 373 CG GLU A 378 -13.430 7.374 -5.496 1.00 0.00 C ATOM 374 CD GLU A 378 -14.411 8.528 -5.568 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.966 9.675 -5.786 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.625 8.285 -5.407 1.00 0.00 O ATOM 0 H GLU A 378 -9.552 8.192 -5.523 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.126 6.108 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.728 8.553 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.909 8.308 -6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.694 6.631 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.517 6.888 -4.524 1.00 0.00 H new ATOM 383 N GLY A 379 -10.826 6.171 -8.000 1.00 0.00 N ATOM 384 CA GLY A 379 -11.004 5.366 -9.191 1.00 0.00 C ATOM 385 C GLY A 379 -10.228 4.068 -9.147 1.00 0.00 C ATOM 386 O GLY A 379 -10.722 3.031 -9.586 1.00 0.00 O ATOM 0 H GLY A 379 -10.382 7.076 -8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -12.064 5.145 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.691 5.941 -10.062 1.00 0.00 H new ATOM 390 N SER A 380 -9.012 4.123 -8.623 1.00 0.00 N ATOM 391 CA SER A 380 -8.171 2.936 -8.536 1.00 0.00 C ATOM 392 C SER A 380 -8.725 1.925 -7.535 1.00 0.00 C ATOM 393 O SER A 380 -8.856 0.744 -7.846 1.00 0.00 O ATOM 394 CB SER A 380 -6.749 3.324 -8.151 1.00 0.00 C ATOM 395 OG SER A 380 -5.913 2.184 -8.060 1.00 0.00 O ATOM 0 H SER A 380 -8.586 4.973 -8.253 1.00 0.00 H new ATOM 0 HA SER A 380 -8.163 2.465 -9.519 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.345 4.016 -8.890 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.759 3.848 -7.195 1.00 0.00 H new ATOM 0 HG SER A 380 -5.130 2.396 -7.510 1.00 0.00 H new ATOM 401 N CYS A 381 -9.042 2.395 -6.332 1.00 0.00 N ATOM 402 CA CYS A 381 -9.567 1.529 -5.276 1.00 0.00 C ATOM 403 C CYS A 381 -10.815 0.777 -5.726 1.00 0.00 C ATOM 404 O CYS A 381 -10.946 -0.423 -5.478 1.00 0.00 O ATOM 405 CB CYS A 381 -9.878 2.346 -4.022 1.00 0.00 C ATOM 406 SG CYS A 381 -8.421 3.146 -3.275 1.00 0.00 S ATOM 0 H CYS A 381 -8.945 3.374 -6.062 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.796 0.793 -5.048 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.611 3.113 -4.273 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.340 1.693 -3.282 1.00 0.00 H new ATOM 411 N ASN A 382 -11.733 1.481 -6.381 1.00 0.00 N ATOM 412 CA ASN A 382 -12.971 0.867 -6.855 1.00 0.00 C ATOM 413 C ASN A 382 -12.677 -0.373 -7.691 1.00 0.00 C ATOM 414 O ASN A 382 -13.494 -1.290 -7.771 1.00 0.00 O ATOM 415 CB ASN A 382 -13.785 1.862 -7.684 1.00 0.00 C ATOM 416 CG ASN A 382 -14.144 3.123 -6.920 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.706 3.215 -5.670 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.808 4.012 -7.452 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.645 2.474 -6.596 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.551 0.573 -5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.218 2.133 -8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.700 1.378 -8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.126 3.904 -8.415 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.040 4.857 -6.930 1.00 0.00 H new ATOM 425 N LYS A 383 -11.506 -0.389 -8.317 1.00 0.00 N ATOM 426 CA LYS A 383 -11.100 -1.506 -9.155 1.00 0.00 C ATOM 427 C LYS A 383 -10.464 -2.609 -8.319 1.00 0.00 C ATOM 428 O LYS A 383 -10.642 -3.796 -8.595 1.00 0.00 O ATOM 429 CB LYS A 383 -10.117 -1.021 -10.220 1.00 0.00 C ATOM 430 CG LYS A 383 -10.539 0.282 -10.885 1.00 0.00 C ATOM 431 CD LYS A 383 -11.917 0.171 -11.520 1.00 0.00 C ATOM 432 CE LYS A 383 -12.312 1.462 -12.216 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.348 1.836 -13.287 1.00 0.00 N ATOM 0 H LYS A 383 -10.820 0.363 -8.258 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.986 -1.916 -9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.136 -0.886 -9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.010 -1.792 -10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.543 1.083 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.809 0.555 -11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.923 -0.648 -12.239 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.654 -0.071 -10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -13.307 1.352 -12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.369 2.266 -11.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.779 2.550 -13.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.485 2.226 -12.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.105 0.993 -13.846 1.00 0.00 H new ATOM 447 N LYS A 384 -9.711 -2.205 -7.301 1.00 0.00 N ATOM 448 CA LYS A 384 -9.031 -3.142 -6.423 1.00 0.00 C ATOM 449 C LYS A 384 -10.015 -4.020 -5.657 1.00 0.00 C ATOM 450 O LYS A 384 -10.921 -3.520 -4.991 1.00 0.00 O ATOM 451 CB LYS A 384 -8.147 -2.369 -5.444 1.00 0.00 C ATOM 452 CG LYS A 384 -6.802 -1.931 -6.017 1.00 0.00 C ATOM 453 CD LYS A 384 -6.914 -1.334 -7.412 1.00 0.00 C ATOM 454 CE LYS A 384 -6.704 -2.381 -8.497 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.802 -1.795 -9.861 1.00 0.00 N ATOM 0 H LYS A 384 -9.557 -1.225 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.418 -3.800 -7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.688 -1.486 -5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.969 -2.990 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.351 -1.197 -5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.130 -2.789 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.896 -0.877 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.177 -0.539 -7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.725 -2.844 -8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.447 -3.171 -8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.605 -2.222 -10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.946 -0.768 -9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.924 -1.985 -10.384 1.00 0.00 H new ATOM 469 N ASP A 385 -9.818 -5.334 -5.741 1.00 0.00 N ATOM 470 CA ASP A 385 -10.675 -6.282 -5.039 1.00 0.00 C ATOM 471 C ASP A 385 -10.379 -6.244 -3.545 1.00 0.00 C ATOM 472 O ASP A 385 -9.619 -5.394 -3.086 1.00 0.00 O ATOM 473 CB ASP A 385 -10.468 -7.696 -5.584 1.00 0.00 C ATOM 474 CG ASP A 385 -10.809 -7.802 -7.058 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.971 -7.525 -7.420 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.913 -8.163 -7.849 1.00 0.00 O ATOM 0 H ASP A 385 -9.073 -5.765 -6.288 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.715 -5.999 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.430 -7.993 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.086 -8.394 -5.020 1.00 0.00 H new ATOM 481 N GLN A 386 -10.969 -7.166 -2.790 1.00 0.00 N ATOM 482 CA GLN A 386 -10.750 -7.218 -1.347 1.00 0.00 C ATOM 483 C GLN A 386 -9.259 -7.255 -1.031 1.00 0.00 C ATOM 484 O GLN A 386 -8.756 -6.438 -0.259 1.00 0.00 O ATOM 485 CB GLN A 386 -11.444 -8.442 -0.745 1.00 0.00 C ATOM 486 CG GLN A 386 -11.394 -8.482 0.774 1.00 0.00 C ATOM 487 CD GLN A 386 -12.062 -9.717 1.348 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.246 -9.961 1.117 1.00 0.00 O ATOM 489 NE2 GLN A 386 -11.302 -10.499 2.104 1.00 0.00 N ATOM 0 H GLN A 386 -11.599 -7.883 -3.150 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.178 -6.318 -0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.485 -8.454 -1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.978 -9.345 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.354 -8.451 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.880 -7.592 1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.325 -10.256 2.268 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -11.695 -11.343 2.521 1.00 0.00 H new ATOM 498 N ASN A 387 -8.556 -8.206 -1.637 1.00 0.00 N ATOM 499 CA ASN A 387 -7.125 -8.352 -1.432 1.00 0.00 C ATOM 500 C ASN A 387 -6.345 -7.160 -1.988 1.00 0.00 C ATOM 501 O ASN A 387 -5.268 -6.829 -1.492 1.00 0.00 O ATOM 502 CB ASN A 387 -6.634 -9.655 -2.068 1.00 0.00 C ATOM 503 CG ASN A 387 -6.986 -9.811 -3.542 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.660 -8.825 -4.119 1.00 0.00 O flip ATOM 505 ND2 ASN A 387 -6.646 -10.819 -4.159 1.00 0.00 N flip ATOM 0 H ASN A 387 -8.960 -8.890 -2.277 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.945 -8.386 -0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.551 -9.712 -1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.055 -10.495 -1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.128 -11.558 -3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -6.882 -10.916 -5.147 1.00 0.00 H new ATOM 512 N GLU A 388 -6.889 -6.526 -3.022 1.00 0.00 N ATOM 513 CA GLU A 388 -6.244 -5.376 -3.650 1.00 0.00 C ATOM 514 C GLU A 388 -6.599 -4.084 -2.930 1.00 0.00 C ATOM 515 O GLU A 388 -5.963 -3.053 -3.149 1.00 0.00 O ATOM 516 CB GLU A 388 -6.638 -5.289 -5.125 1.00 0.00 C ATOM 517 CG GLU A 388 -6.191 -6.488 -5.945 1.00 0.00 C ATOM 518 CD GLU A 388 -6.571 -6.368 -7.407 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.128 -5.398 -8.057 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.309 -7.244 -7.904 1.00 0.00 O ATOM 0 H GLU A 388 -7.779 -6.790 -3.445 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.165 -5.514 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.721 -5.193 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.208 -4.384 -5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.110 -6.597 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.636 -7.393 -5.531 1.00 0.00 H new ATOM 527 N CYS A 389 -7.612 -4.141 -2.070 1.00 0.00 N ATOM 528 CA CYS A 389 -8.032 -2.966 -1.321 1.00 0.00 C ATOM 529 C CYS A 389 -6.843 -2.423 -0.540 1.00 0.00 C ATOM 530 O CYS A 389 -6.494 -2.936 0.523 1.00 0.00 O ATOM 531 CB CYS A 389 -9.186 -3.317 -0.380 1.00 0.00 C ATOM 532 SG CYS A 389 -10.171 -1.885 0.163 1.00 0.00 S ATOM 0 H CYS A 389 -8.153 -4.984 -1.877 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.387 -2.201 -2.011 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.844 -4.027 -0.880 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.783 -3.820 0.499 1.00 0.00 H new ATOM 537 N LYS A 390 -6.205 -1.405 -1.103 1.00 0.00 N ATOM 538 CA LYS A 390 -5.023 -0.804 -0.498 1.00 0.00 C ATOM 539 C LYS A 390 -5.349 -0.022 0.768 1.00 0.00 C ATOM 540 O LYS A 390 -6.507 0.299 1.039 1.00 0.00 O ATOM 541 CB LYS A 390 -4.317 0.079 -1.518 1.00 0.00 C ATOM 542 CG LYS A 390 -3.697 -0.713 -2.663 1.00 0.00 C ATOM 543 CD LYS A 390 -2.495 -1.520 -2.193 1.00 0.00 C ATOM 544 CE LYS A 390 -1.884 -2.327 -3.328 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.847 -3.315 -3.890 1.00 0.00 N ATOM 0 H LYS A 390 -6.489 -0.976 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.357 -1.612 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.030 0.797 -1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.538 0.653 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.443 -1.384 -3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.391 -0.030 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.744 -0.847 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.799 -2.192 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.555 -1.651 -4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -0.998 -2.849 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.401 -4.254 -3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.694 -3.355 -3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.118 -3.027 -4.852 1.00 0.00 H new ATOM 559 N SER A 391 -4.308 0.252 1.549 1.00 0.00 N ATOM 560 CA SER A 391 -4.446 0.969 2.814 1.00 0.00 C ATOM 561 C SER A 391 -5.174 2.306 2.649 1.00 0.00 C ATOM 562 O SER A 391 -6.144 2.566 3.360 1.00 0.00 O ATOM 563 CB SER A 391 -3.071 1.194 3.449 1.00 0.00 C ATOM 564 OG SER A 391 -3.184 1.879 4.685 1.00 0.00 O ATOM 0 H SER A 391 -3.349 -0.015 1.325 1.00 0.00 H new ATOM 0 HA SER A 391 -5.054 0.347 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.578 0.234 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.442 1.768 2.768 1.00 0.00 H new ATOM 0 HG SER A 391 -2.319 1.869 5.145 1.00 0.00 H new ATOM 570 N PRO A 392 -4.737 3.179 1.715 1.00 0.00 N ATOM 571 CA PRO A 392 -5.382 4.472 1.497 1.00 0.00 C ATOM 572 C PRO A 392 -6.864 4.314 1.184 1.00 0.00 C ATOM 573 O PRO A 392 -7.673 5.195 1.476 1.00 0.00 O ATOM 574 CB PRO A 392 -4.630 5.059 0.296 1.00 0.00 C ATOM 575 CG PRO A 392 -3.929 3.910 -0.330 1.00 0.00 C ATOM 576 CD PRO A 392 -3.601 2.992 0.799 1.00 0.00 C ATOM 0 HA PRO A 392 -5.338 5.109 2.380 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.318 5.530 -0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -3.923 5.826 0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.562 3.417 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.027 4.234 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.516 1.957 0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.654 3.254 1.271 1.00 0.00 H new ATOM 584 N CYS A 393 -7.211 3.177 0.590 1.00 0.00 N ATOM 585 CA CYS A 393 -8.593 2.889 0.240 1.00 0.00 C ATOM 586 C CYS A 393 -9.434 2.680 1.495 1.00 0.00 C ATOM 587 O CYS A 393 -9.094 3.166 2.574 1.00 0.00 O ATOM 588 CB CYS A 393 -8.668 1.640 -0.644 1.00 0.00 C ATOM 589 SG CYS A 393 -7.600 1.692 -2.122 1.00 0.00 S ATOM 0 H CYS A 393 -6.551 2.440 0.341 1.00 0.00 H new ATOM 0 HA CYS A 393 -8.989 3.742 -0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.396 0.770 -0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.701 1.498 -0.963 1.00 0.00 H new ATOM 594 N LYS A 394 -10.525 1.942 1.345 1.00 0.00 N ATOM 595 CA LYS A 394 -11.417 1.646 2.460 1.00 0.00 C ATOM 596 C LYS A 394 -12.395 0.545 2.074 1.00 0.00 C ATOM 597 O LYS A 394 -13.159 0.682 1.117 1.00 0.00 O ATOM 598 CB LYS A 394 -12.167 2.909 2.892 1.00 0.00 C ATOM 599 CG LYS A 394 -13.026 2.719 4.132 1.00 0.00 C ATOM 600 CD LYS A 394 -13.612 4.037 4.623 1.00 0.00 C ATOM 601 CE LYS A 394 -14.674 4.579 3.678 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.108 4.981 2.359 1.00 0.00 N ATOM 0 H LYS A 394 -10.816 1.534 0.456 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.821 1.297 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.444 3.703 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.801 3.243 2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -13.834 2.022 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.426 2.271 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.047 3.894 5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.813 4.771 4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -15.442 3.821 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.162 5.438 4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.374 5.965 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.071 4.902 2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.483 4.357 1.616 1.00 0.00 H new ATOM 616 N TRP A 395 -12.343 -0.557 2.812 1.00 0.00 N ATOM 617 CA TRP A 395 -13.199 -1.705 2.545 1.00 0.00 C ATOM 618 C TRP A 395 -14.641 -1.457 2.982 1.00 0.00 C ATOM 619 O TRP A 395 -14.892 -0.991 4.094 1.00 0.00 O ATOM 620 CB TRP A 395 -12.644 -2.941 3.258 1.00 0.00 C ATOM 621 CG TRP A 395 -13.309 -4.222 2.853 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.868 -5.151 3.681 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.471 -4.722 1.520 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.372 -6.196 2.946 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.139 -5.956 1.617 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.118 -4.244 0.254 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.461 -6.719 0.497 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.438 -5.002 -0.857 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.104 -6.227 -0.729 1.00 0.00 C ATOM 0 H TRP A 395 -11.713 -0.680 3.605 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.206 -1.870 1.468 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.576 -3.017 3.055 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.755 -2.809 4.334 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.908 -5.076 4.758 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.843 -7.017 3.327 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.605 -3.300 0.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.974 -7.665 0.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.170 -4.643 -1.840 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.341 -6.795 -1.616 1.00 0.00 H new ATOM 640 N HIS A 396 -15.585 -1.789 2.104 1.00 0.00 N ATOM 641 CA HIS A 396 -17.005 -1.623 2.404 1.00 0.00 C ATOM 642 C HIS A 396 -17.710 -2.973 2.450 1.00 0.00 C ATOM 643 O HIS A 396 -17.881 -3.632 1.421 1.00 0.00 O ATOM 644 CB HIS A 396 -17.680 -0.725 1.365 1.00 0.00 C ATOM 645 CG HIS A 396 -17.355 0.726 1.519 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.693 1.456 2.640 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.725 1.587 0.688 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.285 2.702 2.489 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.696 2.809 1.314 1.00 0.00 N ATOM 0 H HIS A 396 -15.392 -2.174 1.179 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.083 -1.150 3.383 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.382 -1.051 0.368 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.760 -0.855 1.433 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.320 1.357 -0.286 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.412 3.499 3.206 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.286 3.661 0.932 1.00 0.00 H new ATOM 658 N ASN A 397 -18.123 -3.370 3.652 1.00 0.00 N ATOM 659 CA ASN A 397 -18.820 -4.635 3.853 1.00 0.00 C ATOM 660 C ASN A 397 -20.308 -4.482 3.543 1.00 0.00 C ATOM 661 O ASN A 397 -20.908 -3.452 3.849 1.00 0.00 O ATOM 662 CB ASN A 397 -18.629 -5.124 5.289 1.00 0.00 C ATOM 663 CG ASN A 397 -19.364 -6.420 5.564 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.106 -7.441 4.926 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.287 -6.386 6.517 1.00 0.00 N ATOM 0 H ASN A 397 -17.985 -2.829 4.505 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.397 -5.373 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.566 -5.265 5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.980 -4.358 5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.815 -7.228 6.746 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.468 -5.518 7.021 1.00 0.00 H new ATOM 672 N ASP A 398 -20.892 -5.508 2.930 1.00 0.00 N ATOM 673 CA ASP A 398 -22.309 -5.484 2.571 1.00 0.00 C ATOM 674 C ASP A 398 -22.602 -4.309 1.642 1.00 0.00 C ATOM 675 O ASP A 398 -23.648 -3.666 1.738 1.00 0.00 O ATOM 676 CB ASP A 398 -23.178 -5.399 3.832 1.00 0.00 C ATOM 677 CG ASP A 398 -24.660 -5.522 3.528 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.071 -6.568 2.985 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.408 -4.569 3.832 1.00 0.00 O ATOM 0 H ASP A 398 -20.407 -6.367 2.671 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.550 -6.409 2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.886 -6.189 4.524 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.991 -4.450 4.334 1.00 0.00 H new ATOM 684 N ALA A 399 -21.664 -4.039 0.738 1.00 0.00 N ATOM 685 CA ALA A 399 -21.806 -2.950 -0.222 1.00 0.00 C ATOM 686 C ALA A 399 -22.683 -3.369 -1.393 1.00 0.00 C ATOM 687 O ALA A 399 -22.382 -3.062 -2.547 1.00 0.00 O ATOM 688 CB ALA A 399 -20.438 -2.525 -0.725 1.00 0.00 C ATOM 0 H ALA A 399 -20.793 -4.563 0.651 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.284 -2.109 0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.550 -1.711 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -19.830 -2.188 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.950 -3.370 -1.210 1.00 0.00 H new ATOM 694 N GLU A 400 -23.751 -4.101 -1.085 1.00 0.00 N ATOM 695 CA GLU A 400 -24.673 -4.609 -2.097 1.00 0.00 C ATOM 696 C GLU A 400 -24.020 -5.756 -2.861 1.00 0.00 C ATOM 697 O GLU A 400 -24.695 -6.561 -3.502 1.00 0.00 O ATOM 698 CB GLU A 400 -25.105 -3.499 -3.062 1.00 0.00 C ATOM 699 CG GLU A 400 -25.829 -2.349 -2.380 1.00 0.00 C ATOM 700 CD GLU A 400 -26.258 -1.270 -3.356 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.041 -1.581 -4.278 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.811 -0.114 -3.197 1.00 0.00 O ATOM 0 H GLU A 400 -24.001 -4.358 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.567 -4.977 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.224 -3.111 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.756 -3.925 -3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.707 -2.734 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.177 -1.912 -1.624 1.00 0.00 H new ATOM 709 N ASN A 401 -22.695 -5.816 -2.768 1.00 0.00 N ATOM 710 CA ASN A 401 -21.906 -6.847 -3.420 1.00 0.00 C ATOM 711 C ASN A 401 -20.433 -6.674 -3.062 1.00 0.00 C ATOM 712 O ASN A 401 -19.547 -7.112 -3.797 1.00 0.00 O ATOM 713 CB ASN A 401 -22.099 -6.781 -4.936 1.00 0.00 C ATOM 714 CG ASN A 401 -21.660 -5.458 -5.547 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.249 -4.507 -4.711 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.697 -5.290 -6.766 1.00 0.00 N flip ATOM 0 H ASN A 401 -22.140 -5.147 -2.235 1.00 0.00 H new ATOM 0 HA ASN A 401 -22.240 -7.825 -3.073 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.537 -7.591 -5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -23.151 -6.948 -5.168 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.018 -6.043 -7.375 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.407 -4.398 -7.167 1.00 0.00 H new ATOM 723 N LYS A 402 -20.193 -6.028 -1.916 1.00 0.00 N ATOM 724 CA LYS A 402 -18.841 -5.774 -1.422 1.00 0.00 C ATOM 725 C LYS A 402 -18.074 -4.870 -2.388 1.00 0.00 C ATOM 726 O LYS A 402 -18.088 -5.097 -3.597 1.00 0.00 O ATOM 727 CB LYS A 402 -18.087 -7.095 -1.236 1.00 0.00 C ATOM 728 CG LYS A 402 -18.901 -8.175 -0.530 1.00 0.00 C ATOM 729 CD LYS A 402 -19.401 -7.729 0.840 1.00 0.00 C ATOM 730 CE LYS A 402 -18.264 -7.557 1.839 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.403 -6.389 1.511 1.00 0.00 N ATOM 0 H LYS A 402 -20.930 -5.669 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.919 -5.269 -0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.778 -7.467 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -17.178 -6.906 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -19.753 -8.448 -1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.289 -9.070 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.940 -6.787 0.739 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -20.111 -8.463 1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.677 -7.433 2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.656 -8.462 1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -16.897 -6.080 2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -16.714 -6.660 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -17.995 -5.610 1.158 1.00 0.00 H new ATOM 745 N LYS A 403 -17.402 -3.843 -1.864 1.00 0.00 N ATOM 746 CA LYS A 403 -16.646 -2.940 -2.732 1.00 0.00 C ATOM 747 C LYS A 403 -15.607 -2.119 -1.967 1.00 0.00 C ATOM 748 O LYS A 403 -15.849 -1.666 -0.850 1.00 0.00 O ATOM 749 CB LYS A 403 -17.587 -1.992 -3.482 1.00 0.00 C ATOM 750 CG LYS A 403 -18.187 -0.900 -2.609 1.00 0.00 C ATOM 751 CD LYS A 403 -19.003 0.099 -3.421 1.00 0.00 C ATOM 752 CE LYS A 403 -20.270 -0.521 -3.996 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.980 -1.528 -5.055 1.00 0.00 N ATOM 0 H LYS A 403 -17.365 -3.620 -0.869 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.115 -3.573 -3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -17.040 -1.528 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.395 -2.574 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.822 -1.353 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -17.388 -0.375 -2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.270 0.946 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.391 0.489 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.836 -0.994 -3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.901 0.266 -4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -20.661 -1.419 -5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -19.016 -1.384 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.060 -2.485 -4.656 1.00 0.00 H new ATOM 767 N CYS A 404 -14.454 -1.915 -2.604 1.00 0.00 N ATOM 768 CA CYS A 404 -13.371 -1.126 -2.020 1.00 0.00 C ATOM 769 C CYS A 404 -13.358 0.271 -2.637 1.00 0.00 C ATOM 770 O CYS A 404 -13.527 0.419 -3.847 1.00 0.00 O ATOM 771 CB CYS A 404 -12.022 -1.811 -2.258 1.00 0.00 C ATOM 772 SG CYS A 404 -10.594 -0.908 -1.571 1.00 0.00 S ATOM 0 H CYS A 404 -14.246 -2.288 -3.530 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.537 -1.045 -0.946 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.052 -2.809 -1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.876 -1.938 -3.331 1.00 0.00 H new ATOM 777 N THR A 405 -13.167 1.296 -1.809 1.00 0.00 N ATOM 778 CA THR A 405 -13.145 2.674 -2.301 1.00 0.00 C ATOM 779 C THR A 405 -12.140 3.531 -1.539 1.00 0.00 C ATOM 780 O THR A 405 -11.971 3.384 -0.329 1.00 0.00 O ATOM 781 CB THR A 405 -14.533 3.335 -2.203 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.946 3.405 -0.834 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.564 2.559 -3.010 1.00 0.00 C ATOM 0 H THR A 405 -13.026 1.202 -0.803 1.00 0.00 H new ATOM 0 HA THR A 405 -12.846 2.616 -3.348 1.00 0.00 H new ATOM 0 HB THR A 405 -14.460 4.342 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.240 4.317 -0.627 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.535 3.046 -2.924 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.262 2.533 -4.057 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.634 1.541 -2.628 1.00 0.00 H new ATOM 791 N LEU A 406 -11.478 4.426 -2.266 1.00 0.00 N ATOM 792 CA LEU A 406 -10.486 5.317 -1.685 1.00 0.00 C ATOM 793 C LEU A 406 -11.132 6.294 -0.716 1.00 0.00 C ATOM 794 O LEU A 406 -12.257 6.748 -0.929 1.00 0.00 O ATOM 795 CB LEU A 406 -9.756 6.076 -2.794 1.00 0.00 C ATOM 796 CG LEU A 406 -8.481 6.816 -2.380 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.809 8.096 -1.629 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.593 5.911 -1.541 1.00 0.00 C ATOM 0 H LEU A 406 -11.615 4.552 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.767 4.716 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.501 5.368 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.447 6.800 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.939 7.092 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.884 8.600 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.400 8.752 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.379 7.855 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.691 6.451 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.131 5.602 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.320 5.030 -2.122 1.00 0.00 H new ATOM 810 N ASP A 407 -10.407 6.617 0.344 1.00 0.00 N ATOM 811 CA ASP A 407 -10.897 7.549 1.347 1.00 0.00 C ATOM 812 C ASP A 407 -9.906 8.690 1.536 1.00 0.00 C ATOM 813 O ASP A 407 -8.718 8.459 1.758 1.00 0.00 O ATOM 814 CB ASP A 407 -11.126 6.823 2.671 1.00 0.00 C ATOM 815 CG ASP A 407 -11.700 7.732 3.740 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.797 8.287 3.522 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.052 7.888 4.796 1.00 0.00 O ATOM 0 H ASP A 407 -9.475 6.246 0.532 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.845 7.965 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.804 5.985 2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.182 6.407 3.021 1.00 0.00 H new ATOM 822 N LYS A 408 -10.397 9.919 1.436 1.00 0.00 N ATOM 823 CA LYS A 408 -9.546 11.092 1.588 1.00 0.00 C ATOM 824 C LYS A 408 -8.926 11.140 2.979 1.00 0.00 C ATOM 825 O LYS A 408 -7.735 11.408 3.125 1.00 0.00 O ATOM 826 CB LYS A 408 -10.339 12.371 1.317 1.00 0.00 C ATOM 827 CG LYS A 408 -11.537 12.557 2.234 1.00 0.00 C ATOM 828 CD LYS A 408 -12.284 13.842 1.919 1.00 0.00 C ATOM 829 CE LYS A 408 -13.499 14.012 2.817 1.00 0.00 C ATOM 830 NZ LYS A 408 -14.497 12.925 2.616 1.00 0.00 N ATOM 0 H LYS A 408 -11.378 10.129 1.251 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.741 11.019 0.857 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.675 13.229 1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.683 12.362 0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.212 11.707 2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.203 12.574 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.615 14.693 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.599 13.835 0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.181 14.024 3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.967 14.976 2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -15.393 13.188 3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -14.656 12.783 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -14.140 12.043 3.037 1.00 0.00 H new ATOM 844 N GLU A 409 -9.739 10.875 3.999 1.00 0.00 N ATOM 845 CA GLU A 409 -9.266 10.888 5.376 1.00 0.00 C ATOM 846 C GLU A 409 -8.132 9.886 5.563 1.00 0.00 C ATOM 847 O GLU A 409 -7.126 10.185 6.208 1.00 0.00 O ATOM 848 CB GLU A 409 -10.416 10.569 6.333 1.00 0.00 C ATOM 849 CG GLU A 409 -10.018 10.619 7.798 1.00 0.00 C ATOM 850 CD GLU A 409 -11.171 10.302 8.731 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.286 10.039 8.233 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.960 10.317 9.963 1.00 0.00 O ATOM 0 H GLU A 409 -10.728 10.649 3.895 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.887 11.885 5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.228 11.276 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.804 9.576 6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.209 9.911 7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.630 11.611 8.031 1.00 0.00 H new ATOM 859 N GLU A 410 -8.297 8.700 4.985 1.00 0.00 N ATOM 860 CA GLU A 410 -7.282 7.658 5.080 1.00 0.00 C ATOM 861 C GLU A 410 -6.010 8.095 4.367 1.00 0.00 C ATOM 862 O GLU A 410 -4.911 7.979 4.910 1.00 0.00 O ATOM 863 CB GLU A 410 -7.797 6.350 4.480 1.00 0.00 C ATOM 864 CG GLU A 410 -6.816 5.193 4.602 1.00 0.00 C ATOM 865 CD GLU A 410 -6.535 4.808 6.043 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.000 5.651 6.793 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.852 3.660 6.421 1.00 0.00 O ATOM 0 H GLU A 410 -9.123 8.438 4.447 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.057 7.492 6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.730 6.077 4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.028 6.510 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.214 4.328 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.880 5.464 4.114 1.00 0.00 H new ATOM 874 N ALA A 411 -6.171 8.609 3.150 1.00 0.00 N ATOM 875 CA ALA A 411 -5.039 9.078 2.362 1.00 0.00 C ATOM 876 C ALA A 411 -4.228 10.103 3.147 1.00 0.00 C ATOM 877 O ALA A 411 -2.998 10.100 3.109 1.00 0.00 O ATOM 878 CB ALA A 411 -5.523 9.680 1.050 1.00 0.00 C ATOM 0 H ALA A 411 -7.076 8.710 2.690 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.396 8.226 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.667 10.026 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.064 8.924 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.185 10.521 1.258 1.00 0.00 H new ATOM 884 N LYS A 412 -4.933 10.976 3.862 1.00 0.00 N ATOM 885 CA LYS A 412 -4.291 12.007 4.668 1.00 0.00 C ATOM 886 C LYS A 412 -3.465 11.381 5.785 1.00 0.00 C ATOM 887 O LYS A 412 -2.330 11.788 6.032 1.00 0.00 O ATOM 888 CB LYS A 412 -5.347 12.941 5.260 1.00 0.00 C ATOM 889 CG LYS A 412 -6.161 13.679 4.211 1.00 0.00 C ATOM 890 CD LYS A 412 -7.330 14.423 4.836 1.00 0.00 C ATOM 891 CE LYS A 412 -8.177 15.117 3.781 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.390 16.107 2.996 1.00 0.00 N ATOM 0 H LYS A 412 -5.952 10.989 3.899 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.624 12.582 4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -6.022 12.361 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.856 13.669 5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.520 14.384 3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.533 12.969 3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.949 13.724 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.956 15.160 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -8.598 14.372 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -9.015 15.620 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -8.036 16.697 2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.845 16.710 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -6.738 15.606 2.360 1.00 0.00 H new ATOM 906 N LYS A 413 -4.043 10.388 6.454 1.00 0.00 N ATOM 907 CA LYS A 413 -3.361 9.700 7.545 1.00 0.00 C ATOM 908 C LYS A 413 -2.077 9.047 7.048 1.00 0.00 C ATOM 909 O LYS A 413 -1.024 9.170 7.673 1.00 0.00 O ATOM 910 CB LYS A 413 -4.280 8.644 8.163 1.00 0.00 C ATOM 911 CG LYS A 413 -5.553 9.222 8.760 1.00 0.00 C ATOM 912 CD LYS A 413 -6.455 8.133 9.323 1.00 0.00 C ATOM 913 CE LYS A 413 -5.786 7.379 10.464 1.00 0.00 C ATOM 914 NZ LYS A 413 -6.671 6.320 11.024 1.00 0.00 N ATOM 0 H LYS A 413 -4.982 10.042 6.260 1.00 0.00 H new ATOM 0 HA LYS A 413 -3.105 10.436 8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.546 7.913 7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.734 8.109 8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -5.297 9.927 9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -6.092 9.782 7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -7.385 8.578 9.677 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -6.719 7.433 8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -4.860 6.927 10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -5.515 8.080 11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -6.179 5.830 11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -7.544 6.753 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -6.909 5.636 10.278 1.00 0.00 H new ATOM 928 N VAL A 414 -2.173 8.359 5.914 1.00 0.00 N ATOM 929 CA VAL A 414 -1.021 7.693 5.322 1.00 0.00 C ATOM 930 C VAL A 414 0.051 8.708 4.947 1.00 0.00 C ATOM 931 O VAL A 414 1.237 8.502 5.203 1.00 0.00 O ATOM 932 CB VAL A 414 -1.421 6.891 4.069 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.208 6.216 3.450 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.492 5.866 4.412 1.00 0.00 C ATOM 0 H VAL A 414 -3.039 8.249 5.387 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.625 7.004 6.068 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.832 7.585 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.515 5.656 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.523 6.972 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 414 0.239 5.535 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.763 5.309 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.109 5.178 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.373 6.377 4.801 1.00 0.00 H new ATOM 944 N ALA A 415 -0.381 9.810 4.345 1.00 0.00 N ATOM 945 CA ALA A 415 0.530 10.872 3.940 1.00 0.00 C ATOM 946 C ALA A 415 1.131 11.563 5.158 1.00 0.00 C ATOM 947 O ALA A 415 2.213 12.144 5.084 1.00 0.00 O ATOM 948 CB ALA A 415 -0.190 11.881 3.059 1.00 0.00 C ATOM 0 H ALA A 415 -1.361 9.991 4.126 1.00 0.00 H new ATOM 0 HA ALA A 415 1.342 10.425 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.504 12.668 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.570 11.381 2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -1.021 12.319 3.612 1.00 0.00 H new ATOM 954 N ASP A 416 0.412 11.504 6.277 1.00 0.00 N ATOM 955 CA ASP A 416 0.863 12.130 7.517 1.00 0.00 C ATOM 956 C ASP A 416 1.980 11.319 8.177 1.00 0.00 C ATOM 957 O ASP A 416 2.100 11.287 9.402 1.00 0.00 O ATOM 958 CB ASP A 416 -0.315 12.281 8.483 1.00 0.00 C ATOM 959 CG ASP A 416 0.043 13.083 9.719 1.00 0.00 C ATOM 960 OD1 ASP A 416 0.431 14.261 9.571 1.00 0.00 O ATOM 961 OD2 ASP A 416 -0.065 12.532 10.836 1.00 0.00 O ATOM 0 H ASP A 416 -0.487 11.028 6.350 1.00 0.00 H new ATOM 0 HA ASP A 416 1.262 13.115 7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -1.143 12.766 7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.662 11.293 8.784 1.00 0.00 H new ATOM 966 N GLU A 417 2.800 10.669 7.357 1.00 0.00 N ATOM 967 CA GLU A 417 3.906 9.866 7.854 1.00 0.00 C ATOM 968 C GLU A 417 4.808 9.418 6.707 1.00 0.00 C ATOM 969 O GLU A 417 6.032 9.516 6.794 1.00 0.00 O ATOM 970 CB GLU A 417 3.376 8.653 8.619 1.00 0.00 C ATOM 971 CG GLU A 417 2.559 7.694 7.770 1.00 0.00 C ATOM 972 CD GLU A 417 2.062 6.497 8.558 1.00 0.00 C ATOM 973 OE1 GLU A 417 2.904 5.752 9.100 1.00 0.00 O ATOM 974 OE2 GLU A 417 0.830 6.306 8.632 1.00 0.00 O ATOM 0 H GLU A 417 2.716 10.685 6.341 1.00 0.00 H new ATOM 0 HA GLU A 417 4.498 10.479 8.534 1.00 0.00 H new ATOM 0 HB2 GLU A 417 4.218 8.112 9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 417 2.761 9.001 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.707 8.225 7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 417 3.166 7.347 6.934 1.00 0.00 H new ATOM 981 N THR A 418 4.197 8.931 5.629 1.00 0.00 N ATOM 982 CA THR A 418 4.947 8.478 4.465 1.00 0.00 C ATOM 983 C THR A 418 5.231 9.636 3.514 1.00 0.00 C ATOM 984 O THR A 418 5.302 9.453 2.297 1.00 0.00 O ATOM 985 CB THR A 418 4.191 7.374 3.702 1.00 0.00 C ATOM 986 OG1 THR A 418 2.946 7.884 3.209 1.00 0.00 O ATOM 987 CG2 THR A 418 3.929 6.177 4.602 1.00 0.00 C ATOM 0 H THR A 418 3.185 8.841 5.540 1.00 0.00 H new ATOM 0 HA THR A 418 5.889 8.072 4.833 1.00 0.00 H new ATOM 0 HB THR A 418 4.811 7.053 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 418 2.302 7.943 3.945 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.394 5.410 4.041 1.00 0.00 H new ATOM 0 HG22 THR A 418 4.878 5.773 4.955 1.00 0.00 H new ATOM 0 HG23 THR A 418 3.327 6.488 5.456 1.00 0.00 H new ATOM 995 N ALA A 419 5.396 10.827 4.078 1.00 0.00 N ATOM 996 CA ALA A 419 5.676 12.019 3.287 1.00 0.00 C ATOM 997 C ALA A 419 7.079 12.539 3.569 1.00 0.00 C ATOM 998 O ALA A 419 7.784 12.980 2.660 1.00 0.00 O ATOM 999 CB ALA A 419 4.644 13.100 3.572 1.00 0.00 C ATOM 0 H ALA A 419 5.340 10.993 5.083 1.00 0.00 H new ATOM 0 HA ALA A 419 5.617 11.749 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 419 4.867 13.983 2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 419 3.651 12.731 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 419 4.674 13.362 4.630 1.00 0.00 H new ATOM 1005 N LYS A 420 7.476 12.485 4.836 1.00 0.00 N ATOM 1006 CA LYS A 420 8.796 12.948 5.252 1.00 0.00 C ATOM 1007 C LYS A 420 9.878 11.926 4.905 1.00 0.00 C ATOM 1008 O LYS A 420 10.795 11.691 5.692 1.00 0.00 O ATOM 1009 CB LYS A 420 8.804 13.226 6.756 1.00 0.00 C ATOM 1010 CG LYS A 420 7.836 14.321 7.177 1.00 0.00 C ATOM 1011 CD LYS A 420 7.801 14.489 8.688 1.00 0.00 C ATOM 1012 CE LYS A 420 7.249 13.250 9.377 1.00 0.00 C ATOM 1013 NZ LYS A 420 5.861 12.942 8.937 1.00 0.00 N ATOM 0 H LYS A 420 6.900 12.124 5.596 1.00 0.00 H new ATOM 0 HA LYS A 420 9.015 13.869 4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 420 8.555 12.308 7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 420 9.812 13.507 7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 420 8.128 15.263 6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 420 6.836 14.083 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 420 8.807 14.693 9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 420 7.187 15.352 8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 420 7.895 12.398 9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 420 7.263 13.398 10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 5.430 12.263 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 5.299 13.817 8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 5.883 12.531 7.982 1.00 0.00 H new ATOM 1027 N ASP A 421 9.768 11.323 3.725 1.00 0.00 N ATOM 1028 CA ASP A 421 10.740 10.330 3.279 1.00 0.00 C ATOM 1029 C ASP A 421 12.112 10.966 3.082 1.00 0.00 C ATOM 1030 O ASP A 421 12.223 12.073 2.553 1.00 0.00 O ATOM 1031 CB ASP A 421 10.278 9.678 1.975 1.00 0.00 C ATOM 1032 CG ASP A 421 10.153 10.676 0.840 1.00 0.00 C ATOM 1033 OD1 ASP A 421 9.345 11.619 0.966 1.00 0.00 O ATOM 1034 OD2 ASP A 421 10.866 10.515 -0.173 1.00 0.00 O ATOM 0 H ASP A 421 9.016 11.505 3.061 1.00 0.00 H new ATOM 0 HA ASP A 421 10.818 9.564 4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 421 10.985 8.898 1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 421 9.315 9.193 2.136 1.00 0.00 H new ATOM 1039 N GLY A 422 13.154 10.262 3.512 1.00 0.00 N ATOM 1040 CA GLY A 422 14.507 10.774 3.376 1.00 0.00 C ATOM 1041 C GLY A 422 14.887 11.035 1.932 1.00 0.00 C ATOM 1042 O GLY A 422 14.645 10.201 1.058 1.00 0.00 O ATOM 0 H GLY A 422 13.086 9.345 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 422 14.601 11.698 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 422 15.207 10.060 3.809 1.00 0.00 H new ATOM 1046 N LYS A 423 15.483 12.197 1.681 1.00 0.00 N ATOM 1047 CA LYS A 423 15.899 12.572 0.333 1.00 0.00 C ATOM 1048 C LYS A 423 17.077 11.716 -0.135 1.00 0.00 C ATOM 1049 O LYS A 423 17.138 10.520 0.158 1.00 0.00 O ATOM 1050 CB LYS A 423 16.276 14.055 0.295 1.00 0.00 C ATOM 1051 CG LYS A 423 15.137 14.983 0.689 1.00 0.00 C ATOM 1052 CD LYS A 423 15.564 16.443 0.647 1.00 0.00 C ATOM 1053 CE LYS A 423 15.955 16.874 -0.758 1.00 0.00 C ATOM 1054 NZ LYS A 423 16.370 18.303 -0.806 1.00 0.00 N ATOM 0 H LYS A 423 15.689 12.896 2.394 1.00 0.00 H new ATOM 0 HA LYS A 423 15.063 12.398 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 423 17.119 14.224 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 423 16.611 14.311 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 423 14.293 14.831 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 423 14.793 14.733 1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 423 14.749 17.071 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 423 16.406 16.596 1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 423 16.771 16.247 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 423 15.113 16.718 -1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 16.628 18.557 -1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 15.583 18.904 -0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 17.189 18.448 -0.182 1.00 0.00 H new ATOM 1068 N THR A 424 18.010 12.332 -0.861 1.00 0.00 N ATOM 1069 CA THR A 424 19.180 11.623 -1.364 1.00 0.00 C ATOM 1070 C THR A 424 18.762 10.447 -2.245 1.00 0.00 C ATOM 1071 O THR A 424 19.126 9.298 -1.988 1.00 0.00 O ATOM 1072 CB THR A 424 20.071 11.116 -0.211 1.00 0.00 C ATOM 1073 OG1 THR A 424 20.331 12.183 0.709 1.00 0.00 O ATOM 1074 CG2 THR A 424 21.394 10.576 -0.739 1.00 0.00 C ATOM 0 H THR A 424 17.976 13.320 -1.112 1.00 0.00 H new ATOM 0 HA THR A 424 19.757 12.330 -1.960 1.00 0.00 H new ATOM 0 HB THR A 424 19.541 10.310 0.296 1.00 0.00 H new ATOM 0 HG1 THR A 424 20.896 11.855 1.440 1.00 0.00 H new ATOM 0 HG21 THR A 424 22.003 10.225 0.095 1.00 0.00 H new ATOM 0 HG22 THR A 424 21.203 9.748 -1.422 1.00 0.00 H new ATOM 0 HG23 THR A 424 21.925 11.367 -1.268 1.00 0.00 H new ATOM 1082 N GLY A 425 17.987 10.741 -3.286 1.00 0.00 N ATOM 1083 CA GLY A 425 17.528 9.698 -4.185 1.00 0.00 C ATOM 1084 C GLY A 425 16.777 10.246 -5.383 1.00 0.00 C ATOM 1085 O GLY A 425 17.033 9.846 -6.519 1.00 0.00 O ATOM 0 H GLY A 425 17.670 11.681 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 425 18.385 9.120 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 425 16.881 9.012 -3.639 1.00 0.00 H new ATOM 1089 N ASN A 426 15.846 11.163 -5.130 1.00 0.00 N ATOM 1090 CA ASN A 426 15.053 11.765 -6.197 1.00 0.00 C ATOM 1091 C ASN A 426 15.938 12.505 -7.194 1.00 0.00 C ATOM 1092 O ASN A 426 16.821 13.271 -6.808 1.00 0.00 O ATOM 1093 CB ASN A 426 14.015 12.724 -5.611 1.00 0.00 C ATOM 1094 CG ASN A 426 12.965 12.020 -4.765 1.00 0.00 C ATOM 1095 OD1 ASN A 426 13.044 10.695 -4.682 1.00 0.00 O flip ATOM 1096 ND2 ASN A 426 12.086 12.665 -4.193 1.00 0.00 N flip ATOM 0 H ASN A 426 15.623 11.505 -4.195 1.00 0.00 H new ATOM 0 HA ASN A 426 14.541 10.961 -6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 426 14.523 13.472 -5.002 1.00 0.00 H new ATOM 0 HB3 ASN A 426 13.521 13.257 -6.424 1.00 0.00 H new ATOM 0 HD21 ASN A 426 12.060 13.681 -4.281 1.00 0.00 H new ATOM 0 HD22 ASN A 426 11.384 12.184 -3.631 1.00 0.00 H new ATOM 1103 N THR A 427 15.690 12.274 -8.480 1.00 0.00 N ATOM 1104 CA THR A 427 16.456 12.918 -9.539 1.00 0.00 C ATOM 1105 C THR A 427 16.252 14.430 -9.517 1.00 0.00 C ATOM 1106 O THR A 427 15.129 14.910 -9.351 1.00 0.00 O ATOM 1107 CB THR A 427 16.061 12.377 -10.927 1.00 0.00 C ATOM 1108 OG1 THR A 427 16.275 10.961 -10.980 1.00 0.00 O ATOM 1109 CG2 THR A 427 16.866 13.054 -12.025 1.00 0.00 C ATOM 0 H THR A 427 14.961 11.643 -8.813 1.00 0.00 H new ATOM 0 HA THR A 427 17.506 12.691 -9.356 1.00 0.00 H new ATOM 0 HB THR A 427 15.005 12.594 -11.087 1.00 0.00 H new ATOM 0 HG1 THR A 427 16.020 10.625 -11.864 1.00 0.00 H new ATOM 0 HG21 THR A 427 16.568 12.654 -12.994 1.00 0.00 H new ATOM 0 HG22 THR A 427 16.680 14.128 -12.003 1.00 0.00 H new ATOM 0 HG23 THR A 427 17.928 12.866 -11.866 1.00 0.00 H new ATOM 1117 N ASN A 428 17.342 15.174 -9.691 1.00 0.00 N ATOM 1118 CA ASN A 428 17.290 16.628 -9.697 1.00 0.00 C ATOM 1119 C ASN A 428 18.472 17.210 -10.474 1.00 0.00 C ATOM 1120 O ASN A 428 18.854 16.684 -11.519 1.00 0.00 O ATOM 1121 CB ASN A 428 17.284 17.170 -8.262 1.00 0.00 C ATOM 1122 CG ASN A 428 16.030 16.796 -7.496 1.00 0.00 C ATOM 1123 OD1 ASN A 428 14.919 17.155 -7.886 1.00 0.00 O ATOM 1124 ND2 ASN A 428 16.202 16.072 -6.396 1.00 0.00 N ATOM 0 H ASN A 428 18.276 14.788 -9.830 1.00 0.00 H new ATOM 0 HA ASN A 428 16.368 16.932 -10.192 1.00 0.00 H new ATOM 0 HB2 ASN A 428 18.156 16.788 -7.731 1.00 0.00 H new ATOM 0 HB3 ASN A 428 17.377 18.256 -8.288 1.00 0.00 H new ATOM 0 HD21 ASN A 428 15.395 15.792 -5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 428 17.141 15.796 -6.109 1.00 0.00 H new ATOM 1131 N THR A 429 19.043 18.298 -9.962 1.00 0.00 N ATOM 1132 CA THR A 429 20.174 18.947 -10.613 1.00 0.00 C ATOM 1133 C THR A 429 21.377 18.016 -10.694 1.00 0.00 C ATOM 1134 O THR A 429 21.713 17.337 -9.722 1.00 0.00 O ATOM 1135 CB THR A 429 20.583 20.232 -9.869 1.00 0.00 C ATOM 1136 OG1 THR A 429 20.975 19.919 -8.528 1.00 0.00 O ATOM 1137 CG2 THR A 429 19.437 21.232 -9.848 1.00 0.00 C ATOM 0 H THR A 429 18.740 18.747 -9.098 1.00 0.00 H new ATOM 0 HA THR A 429 19.852 19.203 -11.623 1.00 0.00 H new ATOM 0 HB THR A 429 21.425 20.679 -10.397 1.00 0.00 H new ATOM 0 HG1 THR A 429 21.235 20.741 -8.063 1.00 0.00 H new ATOM 0 HG21 THR A 429 19.749 22.132 -9.317 1.00 0.00 H new ATOM 0 HG22 THR A 429 19.161 21.491 -10.870 1.00 0.00 H new ATOM 0 HG23 THR A 429 18.579 20.791 -9.341 1.00 0.00 H new ATOM 1145 N THR A 430 22.020 17.993 -11.860 1.00 0.00 N ATOM 1146 CA THR A 430 23.193 17.150 -12.086 1.00 0.00 C ATOM 1147 C THR A 430 22.940 15.712 -11.642 1.00 0.00 C ATOM 1148 O THR A 430 23.764 15.112 -10.950 1.00 0.00 O ATOM 1149 CB THR A 430 24.437 17.698 -11.358 1.00 0.00 C ATOM 1150 OG1 THR A 430 24.210 17.738 -9.945 1.00 0.00 O ATOM 1151 CG2 THR A 430 24.784 19.092 -11.858 1.00 0.00 C ATOM 0 H THR A 430 21.746 18.552 -12.668 1.00 0.00 H new ATOM 0 HA THR A 430 23.382 17.162 -13.159 1.00 0.00 H new ATOM 0 HB THR A 430 25.272 17.030 -11.569 1.00 0.00 H new ATOM 0 HG1 THR A 430 23.388 17.249 -9.732 1.00 0.00 H new ATOM 0 HG21 THR A 430 25.665 19.459 -11.331 1.00 0.00 H new ATOM 0 HG22 THR A 430 24.991 19.054 -12.927 1.00 0.00 H new ATOM 0 HG23 THR A 430 23.945 19.764 -11.675 1.00 0.00 H new ATOM 1159 N GLY A 431 21.797 15.167 -12.046 1.00 0.00 N ATOM 1160 CA GLY A 431 21.452 13.802 -11.686 1.00 0.00 C ATOM 1161 C GLY A 431 22.348 12.778 -12.356 1.00 0.00 C ATOM 1162 O GLY A 431 23.570 12.931 -12.380 1.00 0.00 O ATOM 0 H GLY A 431 21.102 15.647 -12.618 1.00 0.00 H new ATOM 0 HA2 GLY A 431 21.521 13.687 -10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 431 20.415 13.608 -11.962 1.00 0.00 H new ATOM 1166 N SER A 432 21.739 11.728 -12.900 1.00 0.00 N ATOM 1167 CA SER A 432 22.485 10.670 -13.573 1.00 0.00 C ATOM 1168 C SER A 432 22.917 11.105 -14.973 1.00 0.00 C ATOM 1169 O SER A 432 22.487 10.531 -15.974 1.00 0.00 O ATOM 1170 CB SER A 432 21.638 9.399 -13.658 1.00 0.00 C ATOM 1171 OG SER A 432 20.449 9.626 -14.396 1.00 0.00 O ATOM 0 H SER A 432 20.729 11.587 -12.888 1.00 0.00 H new ATOM 0 HA SER A 432 23.382 10.465 -12.988 1.00 0.00 H new ATOM 0 HB2 SER A 432 22.216 8.604 -14.129 1.00 0.00 H new ATOM 0 HB3 SER A 432 21.387 9.058 -12.654 1.00 0.00 H new ATOM 0 HG SER A 432 20.677 9.935 -15.297 1.00 0.00 H new ATOM 1177 N SER A 433 23.774 12.121 -15.036 1.00 0.00 N ATOM 1178 CA SER A 433 24.267 12.631 -16.311 1.00 0.00 C ATOM 1179 C SER A 433 25.065 11.561 -17.052 1.00 0.00 C ATOM 1180 O SER A 433 26.263 11.396 -16.740 1.00 0.00 O ATOM 1181 CB SER A 433 25.138 13.870 -16.089 1.00 0.00 C ATOM 1182 OG SER A 433 24.400 14.906 -15.463 1.00 0.00 O ATOM 1183 OXT SER A 433 24.483 10.895 -17.935 1.00 0.00 O ATOM 0 H SER A 433 24.141 12.607 -14.218 1.00 0.00 H new ATOM 0 HA SER A 433 23.406 12.906 -16.920 1.00 0.00 H new ATOM 0 HB2 SER A 433 25.998 13.608 -15.473 1.00 0.00 H new ATOM 0 HB3 SER A 433 25.526 14.222 -17.045 1.00 0.00 H new ATOM 0 HG SER A 433 24.979 15.686 -15.330 1.00 0.00 H new TER 1189 SER A 433