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 394 LYS NZ :NH3+ -168:sc= -0.161 (180deg=-0.0237) USER MOD Set 1.2: A 396 HIS : no HE2:sc= -1.18 K(o=-1.3,f=-7.6!) USER MOD Set 1.3: A 405 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 380 SER OG : rot -55:sc= 1.12 USER MOD Set 3.1: A 355 SER OG : rot -60:sc= 0.785 USER MOD Set 3.2: A 357 MET CE :methyl 160:sc= -0.176 (180deg=-0.884) USER MOD Single : A 356 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 362 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 363 GLN :FLIP amide:sc= -2.34 F(o=-3.2!,f=-2.3) USER MOD Single : A 364 LYS NZ :NH3+ 136:sc= -2.4 (180deg=-5.41!) USER MOD Single : A 365 HIS : no HD1:sc= -0.254 K(o=-0.25,f=-0.89) USER MOD Single : A 366 LYS NZ :NH3+ -167:sc= -0.0287 (180deg=-0.228) USER MOD Single : A 370 SER OG : rot 20:sc= 0.263 USER MOD Single : A 371 GLN : amide:sc= -0.0014 X(o=-0.0014,f=0) USER MOD Single : A 372 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 373 GLN : amide:sc= -2.69! C(o=-2.7!,f=-4.3!) USER MOD Single : A 382 ASN :FLIP amide:sc= -2.7! C(o=-6.4!,f=-2.7!) USER MOD Single : A 383 LYS NZ :NH3+ -135:sc= -0.0422 (180deg=-0.367) USER MOD Single : A 384 LYS NZ :NH3+ -171:sc= 0.0119 (180deg=0.00712) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 387 ASN : amide:sc=-0.00353 X(o=-0.0035,f=0) USER MOD Single : A 390 LYS NZ :NH3+ -167:sc= -0.0151 (180deg=-0.199) USER MOD Single : A 391 SER OG : rot 180:sc= -0.074 USER MOD Single : A 397 ASN : amide:sc= -0.425 K(o=-0.43,f=-2.1!) USER MOD Single : A 401 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.2) USER MOD Single : A 402 LYS NZ :NH3+ 169:sc= -0.0352 (180deg=-0.183) USER MOD Single : A 403 LYS NZ :NH3+ -166:sc= -0.0213 (180deg=-0.274) USER MOD Single : A 408 LYS NZ :NH3+ -164:sc= -0.0419 (180deg=-0.323) USER MOD Single : A 412 LYS NZ :NH3+ 167:sc= -0.0424 (180deg=-0.263) USER MOD Single : A 413 LYS NZ :NH3+ -139:sc= -3.37! (180deg=-6.15!) USER MOD Single : A 418 THR OG1 : rot -62:sc= 0.818 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN :FLIP amide:sc= -0.0331 F(o=-1.3,f=-0.033) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= -0.846 K(o=-0.85,f=-2.8!) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 15:sc= 0.65 USER MOD Single : A 432 SER OG : rot 56:sc= 0.371 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 22.443 -13.377 -19.512 1.00 0.00 N ATOM 2 CA GLY A 354 21.332 -14.092 -20.199 1.00 0.00 C ATOM 3 C GLY A 354 19.997 -13.394 -20.025 1.00 0.00 C ATOM 4 O GLY A 354 19.653 -12.967 -18.923 1.00 0.00 O ATOM 0 HA2 GLY A 354 21.560 -14.174 -21.262 1.00 0.00 H new ATOM 0 HA3 GLY A 354 21.261 -15.107 -19.809 1.00 0.00 H new ATOM 10 N SER A 355 19.246 -13.279 -21.118 1.00 0.00 N ATOM 11 CA SER A 355 17.940 -12.629 -21.091 1.00 0.00 C ATOM 12 C SER A 355 18.054 -11.193 -20.584 1.00 0.00 C ATOM 13 O SER A 355 17.259 -10.748 -19.755 1.00 0.00 O ATOM 14 CB SER A 355 16.968 -13.423 -20.213 1.00 0.00 C ATOM 15 OG SER A 355 15.685 -12.821 -20.196 1.00 0.00 O ATOM 0 H SER A 355 19.522 -13.629 -22.036 1.00 0.00 H new ATOM 0 HA SER A 355 17.555 -12.602 -22.110 1.00 0.00 H new ATOM 0 HB2 SER A 355 16.889 -14.444 -20.585 1.00 0.00 H new ATOM 0 HB3 SER A 355 17.358 -13.484 -19.197 1.00 0.00 H new ATOM 0 HG SER A 355 15.756 -11.909 -19.845 1.00 0.00 H new ATOM 21 N HIS A 356 19.049 -10.473 -21.090 1.00 0.00 N ATOM 22 CA HIS A 356 19.272 -9.087 -20.694 1.00 0.00 C ATOM 23 C HIS A 356 18.102 -8.203 -21.115 1.00 0.00 C ATOM 24 O HIS A 356 17.600 -8.313 -22.234 1.00 0.00 O ATOM 25 CB HIS A 356 20.572 -8.565 -21.307 1.00 0.00 C ATOM 26 CG HIS A 356 21.786 -9.311 -20.847 1.00 0.00 C ATOM 27 ND1 HIS A 356 22.169 -9.381 -19.523 1.00 0.00 N ATOM 28 CD2 HIS A 356 22.703 -10.028 -21.539 1.00 0.00 C ATOM 29 CE1 HIS A 356 23.267 -10.107 -19.422 1.00 0.00 C ATOM 30 NE2 HIS A 356 23.611 -10.513 -20.630 1.00 0.00 N ATOM 0 H HIS A 356 19.715 -10.827 -21.777 1.00 0.00 H new ATOM 0 HA HIS A 356 19.352 -9.053 -19.607 1.00 0.00 H new ATOM 0 HB2 HIS A 356 20.505 -8.629 -22.393 1.00 0.00 H new ATOM 0 HB3 HIS A 356 20.686 -7.510 -21.056 1.00 0.00 H new ATOM 0 HD2 HIS A 356 22.718 -10.189 -22.607 1.00 0.00 H new ATOM 0 HE1 HIS A 356 23.794 -10.331 -18.506 1.00 0.00 H new ATOM 0 HE2 HIS A 356 24.420 -11.093 -20.852 1.00 0.00 H new ATOM 39 N MET A 357 17.673 -7.326 -20.210 1.00 0.00 N ATOM 40 CA MET A 357 16.561 -6.420 -20.484 1.00 0.00 C ATOM 41 C MET A 357 16.413 -5.382 -19.377 1.00 0.00 C ATOM 42 O MET A 357 16.466 -5.710 -18.191 1.00 0.00 O ATOM 43 CB MET A 357 15.257 -7.208 -20.636 1.00 0.00 C ATOM 44 CG MET A 357 14.885 -8.015 -19.401 1.00 0.00 C ATOM 45 SD MET A 357 13.337 -8.919 -19.603 1.00 0.00 S ATOM 46 CE MET A 357 13.726 -9.946 -21.017 1.00 0.00 C ATOM 0 H MET A 357 18.079 -7.224 -19.280 1.00 0.00 H new ATOM 0 HA MET A 357 16.776 -5.899 -21.417 1.00 0.00 H new ATOM 0 HB2 MET A 357 14.448 -6.514 -20.864 1.00 0.00 H new ATOM 0 HB3 MET A 357 15.347 -7.883 -21.487 1.00 0.00 H new ATOM 0 HG2 MET A 357 15.686 -8.719 -19.177 1.00 0.00 H new ATOM 0 HG3 MET A 357 14.801 -7.345 -18.545 1.00 0.00 H new ATOM 0 HE1 MET A 357 13.039 -10.792 -21.052 1.00 0.00 H new ATOM 0 HE2 MET A 357 13.627 -9.360 -21.931 1.00 0.00 H new ATOM 0 HE3 MET A 357 14.749 -10.312 -20.930 1.00 0.00 H new ATOM 56 N LEU A 358 16.227 -4.126 -19.775 1.00 0.00 N ATOM 57 CA LEU A 358 16.070 -3.033 -18.822 1.00 0.00 C ATOM 58 C LEU A 358 14.765 -3.171 -18.042 1.00 0.00 C ATOM 59 O LEU A 358 13.722 -3.495 -18.610 1.00 0.00 O ATOM 60 CB LEU A 358 16.108 -1.686 -19.547 1.00 0.00 C ATOM 61 CG LEU A 358 17.406 -1.392 -20.302 1.00 0.00 C ATOM 62 CD1 LEU A 358 17.323 -0.042 -20.997 1.00 0.00 C ATOM 63 CD2 LEU A 358 18.596 -1.433 -19.354 1.00 0.00 C ATOM 0 H LEU A 358 16.181 -3.841 -20.753 1.00 0.00 H new ATOM 0 HA LEU A 358 16.899 -3.079 -18.115 1.00 0.00 H new ATOM 0 HB2 LEU A 358 15.278 -1.647 -20.253 1.00 0.00 H new ATOM 0 HB3 LEU A 358 15.943 -0.893 -18.817 1.00 0.00 H new ATOM 0 HG LEU A 358 17.545 -2.162 -21.061 1.00 0.00 H new ATOM 0 HD11 LEU A 358 18.254 0.151 -21.529 1.00 0.00 H new ATOM 0 HD12 LEU A 358 16.495 -0.048 -21.706 1.00 0.00 H new ATOM 0 HD13 LEU A 358 17.160 0.740 -20.255 1.00 0.00 H new ATOM 0 HD21 LEU A 358 19.510 -1.222 -19.908 1.00 0.00 H new ATOM 0 HD22 LEU A 358 18.464 -0.685 -18.572 1.00 0.00 H new ATOM 0 HD23 LEU A 358 18.667 -2.422 -18.901 1.00 0.00 H new ATOM 75 N GLU A 359 14.834 -2.921 -16.737 1.00 0.00 N ATOM 76 CA GLU A 359 13.660 -3.016 -15.876 1.00 0.00 C ATOM 77 C GLU A 359 12.580 -2.030 -16.315 1.00 0.00 C ATOM 78 O GLU A 359 12.861 -0.857 -16.562 1.00 0.00 O ATOM 79 CB GLU A 359 14.049 -2.753 -14.419 1.00 0.00 C ATOM 80 CG GLU A 359 12.880 -2.838 -13.452 1.00 0.00 C ATOM 81 CD GLU A 359 13.281 -2.543 -12.018 1.00 0.00 C ATOM 82 OE1 GLU A 359 14.476 -2.273 -11.778 1.00 0.00 O ATOM 83 OE2 GLU A 359 12.397 -2.583 -11.136 1.00 0.00 O ATOM 0 H GLU A 359 15.691 -2.651 -16.253 1.00 0.00 H new ATOM 0 HA GLU A 359 13.258 -4.026 -15.961 1.00 0.00 H new ATOM 0 HB2 GLU A 359 14.810 -3.473 -14.119 1.00 0.00 H new ATOM 0 HB3 GLU A 359 14.500 -1.763 -14.345 1.00 0.00 H new ATOM 0 HG2 GLU A 359 12.107 -2.134 -13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 359 12.443 -3.835 -13.504 1.00 0.00 H new ATOM 90 N VAL A 360 11.347 -2.517 -16.409 1.00 0.00 N ATOM 91 CA VAL A 360 10.222 -1.682 -16.818 1.00 0.00 C ATOM 92 C VAL A 360 9.925 -0.610 -15.774 1.00 0.00 C ATOM 93 O VAL A 360 9.763 -0.915 -14.591 1.00 0.00 O ATOM 94 CB VAL A 360 8.955 -2.529 -17.043 1.00 0.00 C ATOM 95 CG1 VAL A 360 7.799 -1.656 -17.509 1.00 0.00 C ATOM 96 CG2 VAL A 360 9.227 -3.643 -18.042 1.00 0.00 C ATOM 0 H VAL A 360 11.101 -3.486 -16.207 1.00 0.00 H new ATOM 0 HA VAL A 360 10.504 -1.202 -17.755 1.00 0.00 H new ATOM 0 HB VAL A 360 8.674 -2.984 -16.093 1.00 0.00 H new ATOM 0 HG11 VAL A 360 6.915 -2.274 -17.662 1.00 0.00 H new ATOM 0 HG12 VAL A 360 7.587 -0.900 -16.753 1.00 0.00 H new ATOM 0 HG13 VAL A 360 8.067 -1.168 -18.446 1.00 0.00 H new ATOM 0 HG21 VAL A 360 8.320 -4.230 -18.188 1.00 0.00 H new ATOM 0 HG22 VAL A 360 9.536 -3.211 -18.994 1.00 0.00 H new ATOM 0 HG23 VAL A 360 10.019 -4.287 -17.662 1.00 0.00 H new ATOM 106 N LEU A 361 9.847 0.644 -16.220 1.00 0.00 N ATOM 107 CA LEU A 361 9.563 1.761 -15.323 1.00 0.00 C ATOM 108 C LEU A 361 9.525 3.081 -16.094 1.00 0.00 C ATOM 109 O LEU A 361 10.508 3.464 -16.730 1.00 0.00 O ATOM 110 CB LEU A 361 10.621 1.821 -14.211 1.00 0.00 C ATOM 111 CG LEU A 361 10.347 2.816 -13.077 1.00 0.00 C ATOM 112 CD1 LEU A 361 11.176 2.461 -11.853 1.00 0.00 C ATOM 113 CD2 LEU A 361 10.656 4.239 -13.518 1.00 0.00 C ATOM 0 H LEU A 361 9.977 0.910 -17.196 1.00 0.00 H new ATOM 0 HA LEU A 361 8.583 1.604 -14.873 1.00 0.00 H new ATOM 0 HB2 LEU A 361 10.722 0.826 -13.778 1.00 0.00 H new ATOM 0 HB3 LEU A 361 11.581 2.071 -14.663 1.00 0.00 H new ATOM 0 HG LEU A 361 9.289 2.756 -12.821 1.00 0.00 H new ATOM 0 HD11 LEU A 361 10.972 3.175 -11.056 1.00 0.00 H new ATOM 0 HD12 LEU A 361 10.916 1.457 -11.516 1.00 0.00 H new ATOM 0 HD13 LEU A 361 12.235 2.495 -12.108 1.00 0.00 H new ATOM 0 HD21 LEU A 361 10.454 4.926 -12.697 1.00 0.00 H new ATOM 0 HD22 LEU A 361 11.706 4.312 -13.802 1.00 0.00 H new ATOM 0 HD23 LEU A 361 10.030 4.499 -14.372 1.00 0.00 H new ATOM 125 N THR A 362 8.386 3.770 -16.024 1.00 0.00 N ATOM 126 CA THR A 362 8.204 5.050 -16.705 1.00 0.00 C ATOM 127 C THR A 362 8.309 4.899 -18.218 1.00 0.00 C ATOM 128 O THR A 362 9.341 4.484 -18.745 1.00 0.00 O ATOM 129 CB THR A 362 9.227 6.100 -16.225 1.00 0.00 C ATOM 130 OG1 THR A 362 9.039 6.367 -14.831 1.00 0.00 O ATOM 131 CG2 THR A 362 9.091 7.397 -17.011 1.00 0.00 C ATOM 0 H THR A 362 7.570 3.459 -15.498 1.00 0.00 H new ATOM 0 HA THR A 362 7.201 5.395 -16.453 1.00 0.00 H new ATOM 0 HB THR A 362 10.226 5.696 -16.390 1.00 0.00 H new ATOM 0 HG1 THR A 362 9.694 7.033 -14.534 1.00 0.00 H new ATOM 0 HG21 THR A 362 9.824 8.119 -16.651 1.00 0.00 H new ATOM 0 HG22 THR A 362 9.263 7.201 -18.069 1.00 0.00 H new ATOM 0 HG23 THR A 362 8.088 7.801 -16.876 1.00 0.00 H new ATOM 139 N GLN A 363 7.225 5.249 -18.907 1.00 0.00 N ATOM 140 CA GLN A 363 7.162 5.165 -20.363 1.00 0.00 C ATOM 141 C GLN A 363 5.757 5.501 -20.848 1.00 0.00 C ATOM 142 O GLN A 363 5.539 5.756 -22.033 1.00 0.00 O ATOM 143 CB GLN A 363 7.555 3.765 -20.844 1.00 0.00 C ATOM 144 CG GLN A 363 6.684 2.657 -20.278 1.00 0.00 C ATOM 145 CD GLN A 363 7.111 1.281 -20.751 1.00 0.00 C ATOM 146 OE1 GLN A 363 7.507 0.429 -19.812 1.00 0.00 O flip ATOM 147 NE2 GLN A 363 7.087 0.988 -21.946 1.00 0.00 N flip ATOM 0 H GLN A 363 6.370 5.597 -18.474 1.00 0.00 H new ATOM 0 HA GLN A 363 7.867 5.886 -20.777 1.00 0.00 H new ATOM 0 HB2 GLN A 363 7.502 3.736 -21.932 1.00 0.00 H new ATOM 0 HB3 GLN A 363 8.593 3.575 -20.570 1.00 0.00 H new ATOM 0 HG2 GLN A 363 6.721 2.691 -19.189 1.00 0.00 H new ATOM 0 HG3 GLN A 363 5.648 2.831 -20.567 1.00 0.00 H new ATOM 0 HE21 GLN A 363 6.775 1.674 -22.633 1.00 0.00 H new ATOM 0 HE22 GLN A 363 7.379 0.059 -22.249 1.00 0.00 H new ATOM 156 N LYS A 364 4.807 5.485 -19.918 1.00 0.00 N ATOM 157 CA LYS A 364 3.415 5.774 -20.233 1.00 0.00 C ATOM 158 C LYS A 364 2.662 6.243 -18.989 1.00 0.00 C ATOM 159 O LYS A 364 1.973 5.460 -18.334 1.00 0.00 O ATOM 160 CB LYS A 364 2.747 4.524 -20.812 1.00 0.00 C ATOM 161 CG LYS A 364 2.913 3.287 -19.938 1.00 0.00 C ATOM 162 CD LYS A 364 2.236 2.069 -20.552 1.00 0.00 C ATOM 163 CE LYS A 364 2.815 1.724 -21.915 1.00 0.00 C ATOM 164 NZ LYS A 364 4.265 1.394 -21.836 1.00 0.00 N ATOM 0 H LYS A 364 4.979 5.273 -18.935 1.00 0.00 H new ATOM 0 HA LYS A 364 3.385 6.575 -20.971 1.00 0.00 H new ATOM 0 HB2 LYS A 364 1.684 4.721 -20.951 1.00 0.00 H new ATOM 0 HB3 LYS A 364 3.165 4.322 -21.798 1.00 0.00 H new ATOM 0 HG2 LYS A 364 3.974 3.081 -19.797 1.00 0.00 H new ATOM 0 HG3 LYS A 364 2.491 3.479 -18.951 1.00 0.00 H new ATOM 0 HD2 LYS A 364 2.349 1.216 -19.883 1.00 0.00 H new ATOM 0 HD3 LYS A 364 1.167 2.259 -20.649 1.00 0.00 H new ATOM 0 HE2 LYS A 364 2.273 0.877 -22.336 1.00 0.00 H new ATOM 0 HE3 LYS A 364 2.671 2.564 -22.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 4.461 0.552 -22.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 4.823 2.196 -22.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 4.524 1.203 -20.847 1.00 0.00 H new ATOM 178 N HIS A 365 2.801 7.527 -18.665 1.00 0.00 N ATOM 179 CA HIS A 365 2.137 8.093 -17.496 1.00 0.00 C ATOM 180 C HIS A 365 2.575 7.360 -16.227 1.00 0.00 C ATOM 181 O HIS A 365 3.759 7.359 -15.888 1.00 0.00 O ATOM 182 CB HIS A 365 0.616 8.029 -17.665 1.00 0.00 C ATOM 183 CG HIS A 365 0.109 8.843 -18.816 1.00 0.00 C ATOM 184 ND1 HIS A 365 0.510 8.637 -20.121 1.00 0.00 N ATOM 185 CD2 HIS A 365 -0.772 9.871 -18.853 1.00 0.00 C ATOM 186 CE1 HIS A 365 -0.102 9.503 -20.909 1.00 0.00 C ATOM 187 NE2 HIS A 365 -0.884 10.262 -20.165 1.00 0.00 N ATOM 0 H HIS A 365 3.365 8.192 -19.194 1.00 0.00 H new ATOM 0 HA HIS A 365 2.427 9.140 -17.402 1.00 0.00 H new ATOM 0 HB2 HIS A 365 0.317 6.990 -17.805 1.00 0.00 H new ATOM 0 HB3 HIS A 365 0.141 8.376 -16.747 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -1.290 10.303 -18.009 1.00 0.00 H new ATOM 0 HE1 HIS A 365 0.017 9.577 -21.980 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -1.477 11.018 -20.509 1.00 0.00 H new ATOM 196 N LYS A 366 1.625 6.738 -15.530 1.00 0.00 N ATOM 197 CA LYS A 366 1.934 6.006 -14.306 1.00 0.00 C ATOM 198 C LYS A 366 3.048 4.988 -14.550 1.00 0.00 C ATOM 199 O LYS A 366 3.050 4.293 -15.566 1.00 0.00 O ATOM 200 CB LYS A 366 0.684 5.295 -13.781 1.00 0.00 C ATOM 201 CG LYS A 366 -0.450 6.241 -13.415 1.00 0.00 C ATOM 202 CD LYS A 366 -0.055 7.174 -12.280 1.00 0.00 C ATOM 203 CE LYS A 366 -1.200 8.097 -11.892 1.00 0.00 C ATOM 204 NZ LYS A 366 -1.634 8.952 -13.031 1.00 0.00 N ATOM 0 H LYS A 366 0.639 6.727 -15.792 1.00 0.00 H new ATOM 0 HA LYS A 366 2.275 6.723 -13.559 1.00 0.00 H new ATOM 0 HB2 LYS A 366 0.331 4.594 -14.538 1.00 0.00 H new ATOM 0 HB3 LYS A 366 0.953 4.708 -12.903 1.00 0.00 H new ATOM 0 HG2 LYS A 366 -0.731 6.829 -14.289 1.00 0.00 H new ATOM 0 HG3 LYS A 366 -1.327 5.663 -13.124 1.00 0.00 H new ATOM 0 HD2 LYS A 366 0.249 6.586 -11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 366 0.807 7.769 -12.580 1.00 0.00 H new ATOM 0 HE2 LYS A 366 -2.044 7.502 -11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 366 -0.890 8.730 -11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 -2.253 9.710 -12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 -0.799 9.371 -13.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 -2.153 8.373 -13.721 1.00 0.00 H new ATOM 218 N PRO A 367 4.016 4.888 -13.619 1.00 0.00 N ATOM 219 CA PRO A 367 5.136 3.952 -13.742 1.00 0.00 C ATOM 220 C PRO A 367 4.745 2.518 -13.393 1.00 0.00 C ATOM 221 O PRO A 367 5.492 1.808 -12.722 1.00 0.00 O ATOM 222 CB PRO A 367 6.144 4.490 -12.739 1.00 0.00 C ATOM 223 CG PRO A 367 5.324 5.143 -11.687 1.00 0.00 C ATOM 224 CD PRO A 367 4.095 5.677 -12.373 1.00 0.00 C ATOM 0 HA PRO A 367 5.512 3.896 -14.764 1.00 0.00 H new ATOM 0 HB2 PRO A 367 6.754 3.688 -12.323 1.00 0.00 H new ATOM 0 HB3 PRO A 367 6.826 5.200 -13.206 1.00 0.00 H new ATOM 0 HG2 PRO A 367 5.054 4.431 -10.907 1.00 0.00 H new ATOM 0 HG3 PRO A 367 5.880 5.947 -11.205 1.00 0.00 H new ATOM 0 HD2 PRO A 367 3.205 5.545 -11.759 1.00 0.00 H new ATOM 0 HD3 PRO A 367 4.184 6.744 -12.580 1.00 0.00 H new ATOM 232 N ALA A 368 3.569 2.101 -13.855 1.00 0.00 N ATOM 233 CA ALA A 368 3.076 0.754 -13.594 1.00 0.00 C ATOM 234 C ALA A 368 3.052 0.460 -12.097 1.00 0.00 C ATOM 235 O ALA A 368 3.329 -0.662 -11.668 1.00 0.00 O ATOM 236 CB ALA A 368 3.926 -0.273 -14.328 1.00 0.00 C ATOM 0 H ALA A 368 2.940 2.679 -14.413 1.00 0.00 H new ATOM 0 HA ALA A 368 2.053 0.689 -13.965 1.00 0.00 H new ATOM 0 HB1 ALA A 368 3.545 -1.274 -14.123 1.00 0.00 H new ATOM 0 HB2 ALA A 368 3.884 -0.081 -15.400 1.00 0.00 H new ATOM 0 HB3 ALA A 368 4.959 -0.201 -13.987 1.00 0.00 H new ATOM 242 N GLU A 369 2.713 1.477 -11.309 1.00 0.00 N ATOM 243 CA GLU A 369 2.641 1.340 -9.858 1.00 0.00 C ATOM 244 C GLU A 369 3.960 0.831 -9.278 1.00 0.00 C ATOM 245 O GLU A 369 3.977 -0.125 -8.501 1.00 0.00 O ATOM 246 CB GLU A 369 1.499 0.397 -9.469 1.00 0.00 C ATOM 247 CG GLU A 369 0.133 0.873 -9.934 1.00 0.00 C ATOM 248 CD GLU A 369 -0.986 -0.068 -9.526 1.00 0.00 C ATOM 249 OE1 GLU A 369 -0.691 -1.100 -8.885 1.00 0.00 O ATOM 250 OE2 GLU A 369 -2.156 0.228 -9.846 1.00 0.00 O ATOM 0 H GLU A 369 2.483 2.409 -11.654 1.00 0.00 H new ATOM 0 HA GLU A 369 2.448 2.328 -9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 369 1.694 -0.589 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 369 1.486 0.284 -8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 369 -0.062 1.863 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 369 0.139 0.975 -11.019 1.00 0.00 H new ATOM 257 N SER A 370 5.063 1.477 -9.654 1.00 0.00 N ATOM 258 CA SER A 370 6.381 1.086 -9.161 1.00 0.00 C ATOM 259 C SER A 370 6.407 1.092 -7.636 1.00 0.00 C ATOM 260 O SER A 370 5.974 2.057 -7.005 1.00 0.00 O ATOM 261 CB SER A 370 7.457 2.031 -9.703 1.00 0.00 C ATOM 262 OG SER A 370 7.528 1.967 -11.116 1.00 0.00 O ATOM 0 H SER A 370 5.070 2.270 -10.296 1.00 0.00 H new ATOM 0 HA SER A 370 6.589 0.075 -9.512 1.00 0.00 H new ATOM 0 HB2 SER A 370 7.238 3.053 -9.393 1.00 0.00 H new ATOM 0 HB3 SER A 370 8.425 1.769 -9.275 1.00 0.00 H new ATOM 0 HG SER A 370 6.692 1.598 -11.469 1.00 0.00 H new ATOM 268 N GLN A 371 6.910 0.008 -7.052 1.00 0.00 N ATOM 269 CA GLN A 371 6.985 -0.116 -5.600 1.00 0.00 C ATOM 270 C GLN A 371 5.607 0.094 -4.973 1.00 0.00 C ATOM 271 O GLN A 371 4.593 -0.305 -5.544 1.00 0.00 O ATOM 272 CB GLN A 371 7.989 0.894 -5.033 1.00 0.00 C ATOM 273 CG GLN A 371 9.397 0.727 -5.584 1.00 0.00 C ATOM 274 CD GLN A 371 10.382 1.700 -4.966 1.00 0.00 C ATOM 275 OE1 GLN A 371 10.604 1.692 -3.756 1.00 0.00 O ATOM 276 NE2 GLN A 371 10.978 2.547 -5.797 1.00 0.00 N ATOM 0 H GLN A 371 7.272 -0.797 -7.563 1.00 0.00 H new ATOM 0 HA GLN A 371 7.325 -1.122 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 371 7.640 1.903 -5.252 1.00 0.00 H new ATOM 0 HB3 GLN A 371 8.018 0.795 -3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 371 9.736 -0.293 -5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 371 9.380 0.869 -6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 371 10.764 2.519 -6.794 1.00 0.00 H new ATOM 0 HE22 GLN A 371 11.650 3.226 -5.438 1.00 0.00 H new ATOM 285 N GLN A 372 5.574 0.727 -3.803 1.00 0.00 N ATOM 286 CA GLN A 372 4.313 0.990 -3.117 1.00 0.00 C ATOM 287 C GLN A 372 3.595 2.178 -3.749 1.00 0.00 C ATOM 288 O GLN A 372 4.157 3.269 -3.850 1.00 0.00 O ATOM 289 CB GLN A 372 4.566 1.266 -1.635 1.00 0.00 C ATOM 290 CG GLN A 372 5.257 0.123 -0.908 1.00 0.00 C ATOM 291 CD GLN A 372 5.545 0.446 0.545 1.00 0.00 C ATOM 292 OE1 GLN A 372 6.279 1.385 0.851 1.00 0.00 O ATOM 293 NE2 GLN A 372 4.966 -0.334 1.451 1.00 0.00 N ATOM 0 H GLN A 372 6.402 1.066 -3.313 1.00 0.00 H new ATOM 0 HA GLN A 372 3.680 0.108 -3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 372 5.175 2.165 -1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 372 3.614 1.473 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 372 4.631 -0.768 -0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 372 6.192 -0.114 -1.416 1.00 0.00 H new ATOM 0 HE21 GLN A 372 4.364 -1.102 1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 372 5.123 -0.165 2.445 1.00 0.00 H new ATOM 302 N GLN A 373 2.351 1.966 -4.168 1.00 0.00 N ATOM 303 CA GLN A 373 1.567 3.029 -4.782 1.00 0.00 C ATOM 304 C GLN A 373 1.185 4.077 -3.738 1.00 0.00 C ATOM 305 O GLN A 373 0.804 3.739 -2.617 1.00 0.00 O ATOM 306 CB GLN A 373 0.317 2.453 -5.451 1.00 0.00 C ATOM 307 CG GLN A 373 -0.480 3.481 -6.238 1.00 0.00 C ATOM 308 CD GLN A 373 -1.645 2.865 -6.989 1.00 0.00 C ATOM 309 OE1 GLN A 373 -2.515 2.229 -6.396 1.00 0.00 O ATOM 310 NE2 GLN A 373 -1.668 3.054 -8.303 1.00 0.00 N ATOM 0 H GLN A 373 1.867 1.071 -4.093 1.00 0.00 H new ATOM 0 HA GLN A 373 2.174 3.511 -5.548 1.00 0.00 H new ATOM 0 HB2 GLN A 373 0.613 1.645 -6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -0.325 2.015 -4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -0.855 4.244 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 373 0.180 3.982 -6.946 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -0.926 3.588 -8.754 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -2.428 2.665 -8.861 1.00 0.00 H new ATOM 319 N ALA A 374 1.303 5.348 -4.109 1.00 0.00 N ATOM 320 CA ALA A 374 0.985 6.443 -3.200 1.00 0.00 C ATOM 321 C ALA A 374 -0.025 7.399 -3.819 1.00 0.00 C ATOM 322 O ALA A 374 -0.053 7.582 -5.036 1.00 0.00 O ATOM 323 CB ALA A 374 2.252 7.188 -2.812 1.00 0.00 C ATOM 0 H ALA A 374 1.617 5.645 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 374 0.536 6.018 -2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 374 2.001 8.003 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.940 6.502 -2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 374 2.724 7.593 -3.707 1.00 0.00 H new ATOM 329 N ALA A 375 -0.839 8.020 -2.967 1.00 0.00 N ATOM 330 CA ALA A 375 -1.841 8.971 -3.409 1.00 0.00 C ATOM 331 C ALA A 375 -2.579 8.473 -4.640 1.00 0.00 C ATOM 332 O ALA A 375 -2.605 9.124 -5.684 1.00 0.00 O ATOM 333 CB ALA A 375 -1.183 10.308 -3.646 1.00 0.00 C ATOM 0 H ALA A 375 -0.818 7.875 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.595 9.085 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -1.931 11.028 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -0.728 10.659 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -0.414 10.204 -4.411 1.00 0.00 H new ATOM 339 N GLU A 376 -3.170 7.301 -4.488 1.00 0.00 N ATOM 340 CA GLU A 376 -3.926 6.656 -5.552 1.00 0.00 C ATOM 341 C GLU A 376 -5.146 7.483 -5.932 1.00 0.00 C ATOM 342 O GLU A 376 -5.142 8.708 -5.805 1.00 0.00 O ATOM 343 CB GLU A 376 -4.351 5.266 -5.086 1.00 0.00 C ATOM 344 CG GLU A 376 -3.219 4.491 -4.436 1.00 0.00 C ATOM 345 CD GLU A 376 -3.658 3.154 -3.879 1.00 0.00 C ATOM 346 OE1 GLU A 376 -4.840 2.790 -4.060 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.817 2.470 -3.260 1.00 0.00 O ATOM 0 H GLU A 376 -3.140 6.766 -3.620 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.295 6.571 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.174 5.361 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.729 4.702 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.429 4.331 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.791 5.090 -3.632 1.00 0.00 H new ATOM 354 N THR A 377 -6.189 6.809 -6.397 1.00 0.00 N ATOM 355 CA THR A 377 -7.415 7.481 -6.799 1.00 0.00 C ATOM 356 C THR A 377 -8.621 6.584 -6.590 1.00 0.00 C ATOM 357 O THR A 377 -8.528 5.365 -6.721 1.00 0.00 O ATOM 358 CB THR A 377 -7.367 7.914 -8.278 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.189 6.767 -9.118 1.00 0.00 O ATOM 360 CG2 THR A 377 -6.238 8.904 -8.521 1.00 0.00 C ATOM 0 H THR A 377 -6.209 5.795 -6.505 1.00 0.00 H new ATOM 0 HA THR A 377 -7.506 8.368 -6.173 1.00 0.00 H new ATOM 0 HB THR A 377 -8.312 8.401 -8.519 1.00 0.00 H new ATOM 0 HG1 THR A 377 -7.161 7.050 -10.056 1.00 0.00 H new ATOM 0 HG21 THR A 377 -6.227 9.193 -9.572 1.00 0.00 H new ATOM 0 HG22 THR A 377 -6.391 9.789 -7.903 1.00 0.00 H new ATOM 0 HG23 THR A 377 -5.286 8.441 -8.262 1.00 0.00 H new ATOM 368 N GLU A 378 -9.752 7.201 -6.262 1.00 0.00 N ATOM 369 CA GLU A 378 -10.986 6.463 -6.036 1.00 0.00 C ATOM 370 C GLU A 378 -11.210 5.475 -7.167 1.00 0.00 C ATOM 371 O GLU A 378 -11.730 4.378 -6.965 1.00 0.00 O ATOM 372 CB GLU A 378 -12.168 7.425 -5.945 1.00 0.00 C ATOM 373 CG GLU A 378 -13.485 6.746 -5.608 1.00 0.00 C ATOM 374 CD GLU A 378 -14.644 7.719 -5.532 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.422 8.928 -5.754 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.777 7.272 -5.250 1.00 0.00 O ATOM 0 H GLU A 378 -9.838 8.211 -6.147 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.903 5.919 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.954 8.179 -5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.272 7.949 -6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.701 5.988 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.388 6.228 -4.654 1.00 0.00 H new ATOM 383 N GLY A 379 -10.805 5.885 -8.360 1.00 0.00 N ATOM 384 CA GLY A 379 -10.955 5.046 -9.528 1.00 0.00 C ATOM 385 C GLY A 379 -10.231 3.721 -9.404 1.00 0.00 C ATOM 386 O GLY A 379 -10.782 2.683 -9.757 1.00 0.00 O ATOM 0 H GLY A 379 -10.372 6.791 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -12.015 4.859 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.579 5.579 -10.401 1.00 0.00 H new ATOM 390 N SER A 380 -8.997 3.748 -8.909 1.00 0.00 N ATOM 391 CA SER A 380 -8.219 2.517 -8.762 1.00 0.00 C ATOM 392 C SER A 380 -8.813 1.604 -7.690 1.00 0.00 C ATOM 393 O SER A 380 -8.963 0.399 -7.899 1.00 0.00 O ATOM 394 CB SER A 380 -6.764 2.839 -8.422 1.00 0.00 C ATOM 395 OG SER A 380 -6.666 3.542 -7.196 1.00 0.00 O ATOM 0 H SER A 380 -8.517 4.595 -8.606 1.00 0.00 H new ATOM 0 HA SER A 380 -8.256 1.991 -9.716 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.189 1.915 -8.361 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.325 3.435 -9.222 1.00 0.00 H new ATOM 0 HG SER A 380 -7.227 4.345 -7.233 1.00 0.00 H new ATOM 401 N CYS A 381 -9.141 2.184 -6.540 1.00 0.00 N ATOM 402 CA CYS A 381 -9.707 1.428 -5.428 1.00 0.00 C ATOM 403 C CYS A 381 -10.964 0.667 -5.840 1.00 0.00 C ATOM 404 O CYS A 381 -11.134 -0.500 -5.484 1.00 0.00 O ATOM 405 CB CYS A 381 -10.023 2.367 -4.267 1.00 0.00 C ATOM 406 SG CYS A 381 -8.561 3.205 -3.581 1.00 0.00 S ATOM 0 H CYS A 381 -9.024 3.180 -6.353 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.964 0.695 -5.114 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.736 3.119 -4.604 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.510 1.799 -3.474 1.00 0.00 H new ATOM 411 N ASN A 382 -11.843 1.330 -6.587 1.00 0.00 N ATOM 412 CA ASN A 382 -13.086 0.708 -7.039 1.00 0.00 C ATOM 413 C ASN A 382 -12.808 -0.620 -7.734 1.00 0.00 C ATOM 414 O ASN A 382 -13.558 -1.585 -7.581 1.00 0.00 O ATOM 415 CB ASN A 382 -13.838 1.647 -7.987 1.00 0.00 C ATOM 416 CG ASN A 382 -14.254 2.951 -7.326 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.950 3.100 -6.040 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.848 3.819 -7.968 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.719 2.295 -6.892 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.706 0.516 -6.163 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.206 1.868 -8.847 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.725 1.139 -8.365 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.063 3.667 -8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.125 4.690 -7.514 1.00 0.00 H new ATOM 425 N LYS A 383 -11.721 -0.658 -8.495 1.00 0.00 N ATOM 426 CA LYS A 383 -11.323 -1.859 -9.216 1.00 0.00 C ATOM 427 C LYS A 383 -10.856 -2.944 -8.253 1.00 0.00 C ATOM 428 O LYS A 383 -11.136 -4.128 -8.449 1.00 0.00 O ATOM 429 CB LYS A 383 -10.195 -1.521 -10.195 1.00 0.00 C ATOM 430 CG LYS A 383 -10.644 -0.792 -11.458 1.00 0.00 C ATOM 431 CD LYS A 383 -11.652 0.309 -11.171 1.00 0.00 C ATOM 432 CE LYS A 383 -12.018 1.073 -12.431 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.831 1.726 -13.050 1.00 0.00 N ATOM 0 H LYS A 383 -11.095 0.136 -8.629 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.188 -2.234 -9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.457 -0.906 -9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.694 -2.445 -10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.774 -0.362 -11.954 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -11.083 -1.510 -12.151 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.551 -0.125 -10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.239 0.998 -10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.473 0.391 -13.150 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.765 1.830 -12.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.072 2.701 -13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.047 1.740 -12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.544 1.194 -13.896 1.00 0.00 H new ATOM 447 N LYS A 384 -10.117 -2.530 -7.228 1.00 0.00 N ATOM 448 CA LYS A 384 -9.574 -3.443 -6.250 1.00 0.00 C ATOM 449 C LYS A 384 -10.624 -4.295 -5.575 1.00 0.00 C ATOM 450 O LYS A 384 -11.760 -3.878 -5.350 1.00 0.00 O ATOM 451 CB LYS A 384 -8.803 -2.666 -5.199 1.00 0.00 C ATOM 452 CG LYS A 384 -7.765 -1.754 -5.803 1.00 0.00 C ATOM 453 CD LYS A 384 -6.744 -2.532 -6.609 1.00 0.00 C ATOM 454 CE LYS A 384 -7.123 -2.607 -8.081 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.053 -3.241 -8.899 1.00 0.00 N ATOM 0 H LYS A 384 -9.883 -1.552 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.915 -4.123 -6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.500 -2.075 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.317 -3.365 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.253 -1.020 -6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.260 -1.201 -5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.766 -2.060 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.654 -3.540 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -8.047 -3.175 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.320 -1.603 -8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.280 -3.137 -9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.143 -2.779 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.987 -4.251 -8.662 1.00 0.00 H new ATOM 469 N ASP A 385 -10.188 -5.485 -5.232 1.00 0.00 N ATOM 470 CA ASP A 385 -11.017 -6.458 -4.536 1.00 0.00 C ATOM 471 C ASP A 385 -10.796 -6.320 -3.035 1.00 0.00 C ATOM 472 O ASP A 385 -9.996 -5.495 -2.607 1.00 0.00 O ATOM 473 CB ASP A 385 -10.674 -7.878 -4.991 1.00 0.00 C ATOM 474 CG ASP A 385 -10.875 -8.078 -6.481 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.288 -7.114 -7.161 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.622 -9.199 -6.968 1.00 0.00 O ATOM 0 H ASP A 385 -9.242 -5.813 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.065 -6.269 -4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.637 -8.097 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.294 -8.590 -4.446 1.00 0.00 H new ATOM 481 N GLN A 386 -11.492 -7.125 -2.240 1.00 0.00 N ATOM 482 CA GLN A 386 -11.339 -7.065 -0.788 1.00 0.00 C ATOM 483 C GLN A 386 -9.865 -7.093 -0.397 1.00 0.00 C ATOM 484 O GLN A 386 -9.380 -6.202 0.302 1.00 0.00 O ATOM 485 CB GLN A 386 -12.074 -8.235 -0.127 1.00 0.00 C ATOM 486 CG GLN A 386 -11.939 -8.263 1.388 1.00 0.00 C ATOM 487 CD GLN A 386 -12.695 -9.416 2.019 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.912 -9.528 1.873 1.00 0.00 O ATOM 489 NE2 GLN A 386 -11.975 -10.279 2.728 1.00 0.00 N ATOM 0 H GLN A 386 -12.161 -7.820 -2.570 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.774 -6.128 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -13.131 -8.183 -0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.691 -9.170 -0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.884 -8.336 1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.307 -7.323 1.799 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.968 -10.147 2.822 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.429 -11.074 3.178 1.00 0.00 H new ATOM 498 N ASN A 387 -9.157 -8.113 -0.863 1.00 0.00 N ATOM 499 CA ASN A 387 -7.739 -8.258 -0.576 1.00 0.00 C ATOM 500 C ASN A 387 -6.923 -7.159 -1.251 1.00 0.00 C ATOM 501 O ASN A 387 -5.885 -6.740 -0.739 1.00 0.00 O ATOM 502 CB ASN A 387 -7.255 -9.632 -1.039 1.00 0.00 C ATOM 503 CG ASN A 387 -5.761 -9.801 -0.886 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.222 -9.724 0.218 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.083 -10.033 -2.001 1.00 0.00 N ATOM 0 H ASN A 387 -9.546 -8.855 -1.445 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.597 -8.168 0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.766 -10.406 -0.466 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.529 -9.777 -2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -4.071 -10.156 -1.966 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.573 -10.088 -2.894 1.00 0.00 H new ATOM 512 N GLU A 388 -7.395 -6.702 -2.409 1.00 0.00 N ATOM 513 CA GLU A 388 -6.703 -5.659 -3.160 1.00 0.00 C ATOM 514 C GLU A 388 -7.009 -4.271 -2.612 1.00 0.00 C ATOM 515 O GLU A 388 -6.336 -3.303 -2.963 1.00 0.00 O ATOM 516 CB GLU A 388 -7.074 -5.731 -4.641 1.00 0.00 C ATOM 517 CG GLU A 388 -6.692 -7.044 -5.303 1.00 0.00 C ATOM 518 CD GLU A 388 -7.046 -7.079 -6.778 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.535 -6.225 -7.532 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.834 -7.963 -7.178 1.00 0.00 O ATOM 0 H GLU A 388 -8.253 -7.038 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.633 -5.833 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.149 -5.581 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.585 -4.912 -5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.621 -7.207 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.197 -7.864 -4.793 1.00 0.00 H new ATOM 527 N CYS A 389 -8.022 -4.173 -1.753 1.00 0.00 N ATOM 528 CA CYS A 389 -8.389 -2.888 -1.174 1.00 0.00 C ATOM 529 C CYS A 389 -7.180 -2.312 -0.444 1.00 0.00 C ATOM 530 O CYS A 389 -6.840 -2.733 0.663 1.00 0.00 O ATOM 531 CB CYS A 389 -9.589 -3.047 -0.234 1.00 0.00 C ATOM 532 SG CYS A 389 -10.460 -1.488 0.135 1.00 0.00 S ATOM 0 H CYS A 389 -8.595 -4.959 -1.447 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.686 -2.197 -1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.295 -3.748 -0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.247 -3.490 0.702 1.00 0.00 H new ATOM 537 N LYS A 390 -6.508 -1.379 -1.109 1.00 0.00 N ATOM 538 CA LYS A 390 -5.294 -0.760 -0.588 1.00 0.00 C ATOM 539 C LYS A 390 -5.566 0.163 0.598 1.00 0.00 C ATOM 540 O LYS A 390 -6.693 0.602 0.819 1.00 0.00 O ATOM 541 CB LYS A 390 -4.588 -0.016 -1.716 1.00 0.00 C ATOM 542 CG LYS A 390 -4.237 -0.925 -2.888 1.00 0.00 C ATOM 543 CD LYS A 390 -3.659 -0.146 -4.057 1.00 0.00 C ATOM 544 CE LYS A 390 -3.327 -1.058 -5.228 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.321 -2.092 -4.862 1.00 0.00 N ATOM 0 H LYS A 390 -6.789 -1.030 -2.025 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.646 -1.551 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.227 0.794 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.677 0.441 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.518 -1.676 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -5.130 -1.459 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -4.372 0.613 -4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.759 0.378 -3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -4.237 -1.545 -5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.947 -0.460 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.960 -2.546 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.533 -1.645 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.766 -2.809 -4.254 1.00 0.00 H new ATOM 559 N SER A 391 -4.512 0.423 1.373 1.00 0.00 N ATOM 560 CA SER A 391 -4.605 1.263 2.567 1.00 0.00 C ATOM 561 C SER A 391 -5.271 2.612 2.280 1.00 0.00 C ATOM 562 O SER A 391 -6.267 2.948 2.920 1.00 0.00 O ATOM 563 CB SER A 391 -3.219 1.475 3.180 1.00 0.00 C ATOM 564 OG SER A 391 -3.292 2.282 4.341 1.00 0.00 O ATOM 0 H SER A 391 -3.576 0.060 1.192 1.00 0.00 H new ATOM 0 HA SER A 391 -5.238 0.736 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.778 0.510 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.562 1.945 2.448 1.00 0.00 H new ATOM 0 HG SER A 391 -2.394 2.401 4.714 1.00 0.00 H new ATOM 570 N PRO A 392 -4.750 3.414 1.322 1.00 0.00 N ATOM 571 CA PRO A 392 -5.333 4.713 0.992 1.00 0.00 C ATOM 572 C PRO A 392 -6.828 4.606 0.742 1.00 0.00 C ATOM 573 O PRO A 392 -7.588 5.533 1.024 1.00 0.00 O ATOM 574 CB PRO A 392 -4.604 5.123 -0.298 1.00 0.00 C ATOM 575 CG PRO A 392 -3.878 3.910 -0.755 1.00 0.00 C ATOM 576 CD PRO A 392 -3.573 3.145 0.487 1.00 0.00 C ATOM 0 HA PRO A 392 -5.218 5.434 1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.310 5.464 -1.055 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -3.913 5.946 -0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.488 3.321 -1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -2.965 4.175 -1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.451 2.080 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.653 3.488 0.960 1.00 0.00 H new ATOM 584 N CYS A 393 -7.236 3.464 0.204 1.00 0.00 N ATOM 585 CA CYS A 393 -8.635 3.212 -0.099 1.00 0.00 C ATOM 586 C CYS A 393 -9.475 3.154 1.174 1.00 0.00 C ATOM 587 O CYS A 393 -9.095 3.692 2.214 1.00 0.00 O ATOM 588 CB CYS A 393 -8.765 1.897 -0.866 1.00 0.00 C ATOM 589 SG CYS A 393 -7.741 1.808 -2.368 1.00 0.00 S ATOM 0 H CYS A 393 -6.611 2.693 -0.032 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.006 4.034 -0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.493 1.075 -0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.809 1.752 -1.142 1.00 0.00 H new ATOM 594 N LYS A 394 -10.615 2.489 1.074 1.00 0.00 N ATOM 595 CA LYS A 394 -11.527 2.337 2.199 1.00 0.00 C ATOM 596 C LYS A 394 -12.464 1.166 1.950 1.00 0.00 C ATOM 597 O LYS A 394 -13.366 1.236 1.113 1.00 0.00 O ATOM 598 CB LYS A 394 -12.304 3.635 2.423 1.00 0.00 C ATOM 599 CG LYS A 394 -13.406 3.533 3.469 1.00 0.00 C ATOM 600 CD LYS A 394 -13.891 4.907 3.912 1.00 0.00 C ATOM 601 CE LYS A 394 -14.221 5.804 2.728 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.291 5.228 1.869 1.00 0.00 N ATOM 0 H LYS A 394 -10.934 2.041 0.215 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.956 2.128 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.605 4.416 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.745 3.949 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.243 2.966 3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.037 2.981 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.775 4.794 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.124 5.382 4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.536 6.782 3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.323 5.960 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -15.343 5.759 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.074 4.231 1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -16.204 5.290 2.363 1.00 0.00 H new ATOM 616 N TRP A 395 -12.214 0.077 2.668 1.00 0.00 N ATOM 617 CA TRP A 395 -12.996 -1.143 2.524 1.00 0.00 C ATOM 618 C TRP A 395 -14.430 -0.972 3.018 1.00 0.00 C ATOM 619 O TRP A 395 -14.693 -0.229 3.963 1.00 0.00 O ATOM 620 CB TRP A 395 -12.323 -2.294 3.276 1.00 0.00 C ATOM 621 CG TRP A 395 -13.056 -3.594 3.149 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.434 -4.423 4.166 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.499 -4.218 1.936 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.088 -5.521 3.664 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.141 -5.418 2.298 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.419 -3.879 0.581 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.697 -6.278 1.355 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.971 -4.734 -0.353 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.603 -5.920 0.038 1.00 0.00 C ATOM 0 H TRP A 395 -11.469 0.016 3.362 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.039 -1.374 1.460 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.307 -2.419 2.901 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.243 -2.032 4.331 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.246 -4.241 5.214 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.472 -6.288 4.217 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.934 -2.965 0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.185 -7.195 1.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.914 -4.483 -1.402 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -15.026 -6.567 -0.717 1.00 0.00 H new ATOM 640 N HIS A 396 -15.349 -1.688 2.373 1.00 0.00 N ATOM 641 CA HIS A 396 -16.759 -1.648 2.739 1.00 0.00 C ATOM 642 C HIS A 396 -17.348 -3.056 2.742 1.00 0.00 C ATOM 643 O HIS A 396 -17.453 -3.699 1.693 1.00 0.00 O ATOM 644 CB HIS A 396 -17.541 -0.760 1.771 1.00 0.00 C ATOM 645 CG HIS A 396 -17.120 0.674 1.805 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.184 1.448 2.944 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.631 1.479 0.831 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.753 2.666 2.670 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.411 2.711 1.395 1.00 0.00 N ATOM 0 H HIS A 396 -15.138 -2.306 1.589 1.00 0.00 H new ATOM 0 HA HIS A 396 -16.839 -1.228 3.742 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.417 -1.143 0.758 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.603 -0.824 2.008 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -17.513 1.130 3.856 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.448 1.203 -0.197 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.691 3.486 3.370 1.00 0.00 H new ATOM 658 N ASN A 397 -17.728 -3.522 3.930 1.00 0.00 N ATOM 659 CA ASN A 397 -18.307 -4.853 4.091 1.00 0.00 C ATOM 660 C ASN A 397 -19.692 -4.930 3.461 1.00 0.00 C ATOM 661 O ASN A 397 -20.379 -3.918 3.328 1.00 0.00 O ATOM 662 CB ASN A 397 -18.383 -5.224 5.574 1.00 0.00 C ATOM 663 CG ASN A 397 -19.205 -4.236 6.380 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.393 -4.042 6.122 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.574 -3.608 7.364 1.00 0.00 N ATOM 0 H ASN A 397 -17.644 -2.994 4.799 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.660 -5.565 3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.817 -6.219 5.674 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.375 -5.273 5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.075 -2.933 7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.588 -3.800 7.542 1.00 0.00 H new ATOM 672 N ASP A 398 -20.090 -6.139 3.069 1.00 0.00 N ATOM 673 CA ASP A 398 -21.390 -6.354 2.444 1.00 0.00 C ATOM 674 C ASP A 398 -21.479 -5.592 1.126 1.00 0.00 C ATOM 675 O ASP A 398 -20.945 -6.037 0.114 1.00 0.00 O ATOM 676 CB ASP A 398 -22.520 -5.934 3.390 1.00 0.00 C ATOM 677 CG ASP A 398 -22.525 -6.735 4.677 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.511 -6.694 5.406 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.543 -7.403 4.956 1.00 0.00 O ATOM 0 H ASP A 398 -19.529 -6.984 3.174 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.500 -7.418 2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.418 -4.875 3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.478 -6.058 2.885 1.00 0.00 H new ATOM 684 N ALA A 399 -22.149 -4.441 1.144 1.00 0.00 N ATOM 685 CA ALA A 399 -22.298 -3.616 -0.053 1.00 0.00 C ATOM 686 C ALA A 399 -22.989 -4.378 -1.180 1.00 0.00 C ATOM 687 O ALA A 399 -22.965 -3.947 -2.334 1.00 0.00 O ATOM 688 CB ALA A 399 -20.938 -3.107 -0.512 1.00 0.00 C ATOM 0 H ALA A 399 -22.598 -4.058 1.976 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.930 -2.766 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.061 -2.494 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.487 -2.509 0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.291 -3.954 -0.740 1.00 0.00 H new ATOM 694 N GLU A 400 -23.604 -5.509 -0.833 1.00 0.00 N ATOM 695 CA GLU A 400 -24.317 -6.348 -1.795 1.00 0.00 C ATOM 696 C GLU A 400 -23.355 -7.067 -2.739 1.00 0.00 C ATOM 697 O GLU A 400 -23.681 -8.126 -3.276 1.00 0.00 O ATOM 698 CB GLU A 400 -25.317 -5.517 -2.603 1.00 0.00 C ATOM 699 CG GLU A 400 -26.358 -4.816 -1.746 1.00 0.00 C ATOM 700 CD GLU A 400 -27.332 -3.994 -2.569 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.880 -3.071 -3.276 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.548 -4.277 -2.505 1.00 0.00 O ATOM 0 H GLU A 400 -23.622 -5.868 0.121 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.859 -7.103 -1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.773 -4.771 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.824 -6.167 -3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.910 -5.559 -1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.856 -4.167 -1.029 1.00 0.00 H new ATOM 709 N ASN A 401 -22.179 -6.484 -2.945 1.00 0.00 N ATOM 710 CA ASN A 401 -21.183 -7.064 -3.837 1.00 0.00 C ATOM 711 C ASN A 401 -19.778 -6.605 -3.459 1.00 0.00 C ATOM 712 O ASN A 401 -18.863 -6.634 -4.281 1.00 0.00 O ATOM 713 CB ASN A 401 -21.490 -6.642 -5.268 1.00 0.00 C ATOM 714 CG ASN A 401 -22.758 -7.273 -5.800 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.811 -8.476 -6.058 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.797 -6.463 -5.942 1.00 0.00 N ATOM 0 H ASN A 401 -21.892 -5.609 -2.506 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.223 -8.150 -3.748 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.583 -5.557 -5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.654 -6.916 -5.911 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.688 -6.830 -6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.706 -5.473 -5.716 1.00 0.00 H new ATOM 723 N LYS A 402 -19.627 -6.185 -2.208 1.00 0.00 N ATOM 724 CA LYS A 402 -18.342 -5.714 -1.689 1.00 0.00 C ATOM 725 C LYS A 402 -17.903 -4.435 -2.397 1.00 0.00 C ATOM 726 O LYS A 402 -18.034 -4.313 -3.614 1.00 0.00 O ATOM 727 CB LYS A 402 -17.277 -6.802 -1.853 1.00 0.00 C ATOM 728 CG LYS A 402 -17.634 -8.110 -1.165 1.00 0.00 C ATOM 729 CD LYS A 402 -17.801 -7.927 0.336 1.00 0.00 C ATOM 730 CE LYS A 402 -18.260 -9.212 1.005 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.309 -10.332 0.769 1.00 0.00 N ATOM 0 H LYS A 402 -20.385 -6.160 -1.526 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.462 -5.491 -0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.122 -6.990 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.331 -6.437 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.558 -8.504 -1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.855 -8.847 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.855 -7.606 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.526 -7.136 0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.365 -9.045 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.245 -9.486 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.554 -11.132 1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.366 -10.632 -0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.341 -10.016 0.980 1.00 0.00 H new ATOM 745 N LYS A 403 -17.397 -3.468 -1.630 1.00 0.00 N ATOM 746 CA LYS A 403 -16.968 -2.200 -2.211 1.00 0.00 C ATOM 747 C LYS A 403 -15.699 -1.650 -1.564 1.00 0.00 C ATOM 748 O LYS A 403 -15.505 -1.748 -0.353 1.00 0.00 O ATOM 749 CB LYS A 403 -18.090 -1.171 -2.090 1.00 0.00 C ATOM 750 CG LYS A 403 -19.318 -1.515 -2.912 1.00 0.00 C ATOM 751 CD LYS A 403 -19.056 -1.375 -4.405 1.00 0.00 C ATOM 752 CE LYS A 403 -18.734 0.063 -4.785 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.847 0.990 -4.443 1.00 0.00 N ATOM 0 H LYS A 403 -17.276 -3.538 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.738 -2.392 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.377 -1.080 -1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.714 -0.197 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.629 -2.536 -2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.142 -0.862 -2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.227 -2.022 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.931 -1.712 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -17.827 0.380 -4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.530 0.119 -5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.699 1.901 -4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.750 0.578 -4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.871 1.139 -3.414 1.00 0.00 H new ATOM 767 N CYS A 404 -14.855 -1.042 -2.396 1.00 0.00 N ATOM 768 CA CYS A 404 -13.607 -0.429 -1.949 1.00 0.00 C ATOM 769 C CYS A 404 -13.417 0.893 -2.686 1.00 0.00 C ATOM 770 O CYS A 404 -13.492 0.938 -3.914 1.00 0.00 O ATOM 771 CB CYS A 404 -12.415 -1.356 -2.216 1.00 0.00 C ATOM 772 SG CYS A 404 -10.803 -0.672 -1.700 1.00 0.00 S ATOM 0 H CYS A 404 -15.018 -0.961 -3.400 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.660 -0.253 -0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.580 -2.300 -1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.377 -1.582 -3.282 1.00 0.00 H new ATOM 777 N THR A 405 -13.198 1.973 -1.941 1.00 0.00 N ATOM 778 CA THR A 405 -13.036 3.289 -2.551 1.00 0.00 C ATOM 779 C THR A 405 -11.965 4.120 -1.854 1.00 0.00 C ATOM 780 O THR A 405 -11.797 4.049 -0.638 1.00 0.00 O ATOM 781 CB THR A 405 -14.357 4.080 -2.531 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.794 4.269 -1.180 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.438 3.356 -3.320 1.00 0.00 C ATOM 0 H THR A 405 -13.129 1.964 -0.923 1.00 0.00 H new ATOM 0 HA THR A 405 -12.727 3.107 -3.580 1.00 0.00 H new ATOM 0 HB THR A 405 -14.179 5.049 -2.996 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.634 4.774 -1.175 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.360 3.936 -3.290 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.116 3.239 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.612 2.374 -2.881 1.00 0.00 H new ATOM 791 N LEU A 406 -11.249 4.915 -2.646 1.00 0.00 N ATOM 792 CA LEU A 406 -10.199 5.780 -2.132 1.00 0.00 C ATOM 793 C LEU A 406 -10.789 6.875 -1.260 1.00 0.00 C ATOM 794 O LEU A 406 -11.864 7.402 -1.545 1.00 0.00 O ATOM 795 CB LEU A 406 -9.407 6.386 -3.294 1.00 0.00 C ATOM 796 CG LEU A 406 -8.126 7.137 -2.921 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.441 8.521 -2.379 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.317 6.334 -1.917 1.00 0.00 C ATOM 0 H LEU A 406 -11.382 4.975 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.523 5.185 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.145 5.585 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.061 7.071 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.529 7.263 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.513 9.031 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -8.974 9.096 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.063 8.430 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.409 6.880 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.910 6.174 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.050 5.371 -2.352 1.00 0.00 H new ATOM 810 N ASP A 407 -10.076 7.213 -0.197 1.00 0.00 N ATOM 811 CA ASP A 407 -10.524 8.249 0.723 1.00 0.00 C ATOM 812 C ASP A 407 -9.373 9.178 1.083 1.00 0.00 C ATOM 813 O ASP A 407 -8.306 8.725 1.497 1.00 0.00 O ATOM 814 CB ASP A 407 -11.103 7.616 1.992 1.00 0.00 C ATOM 815 CG ASP A 407 -11.679 8.641 2.951 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.659 9.846 2.622 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.156 8.236 4.033 1.00 0.00 O ATOM 0 H ASP A 407 -9.184 6.785 0.051 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.302 8.833 0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.882 6.906 1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.322 7.050 2.499 1.00 0.00 H new ATOM 822 N LYS A 408 -9.593 10.478 0.921 1.00 0.00 N ATOM 823 CA LYS A 408 -8.569 11.468 1.229 1.00 0.00 C ATOM 824 C LYS A 408 -8.225 11.441 2.713 1.00 0.00 C ATOM 825 O LYS A 408 -7.055 11.473 3.087 1.00 0.00 O ATOM 826 CB LYS A 408 -9.035 12.867 0.829 1.00 0.00 C ATOM 827 CG LYS A 408 -9.317 13.016 -0.656 1.00 0.00 C ATOM 828 CD LYS A 408 -9.811 14.414 -0.990 1.00 0.00 C ATOM 829 CE LYS A 408 -10.054 14.579 -2.481 1.00 0.00 C ATOM 830 NZ LYS A 408 -8.812 14.361 -3.273 1.00 0.00 N ATOM 0 H LYS A 408 -10.470 10.870 0.579 1.00 0.00 H new ATOM 0 HA LYS A 408 -7.676 11.218 0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.938 13.113 1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -8.273 13.591 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -8.411 12.804 -1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.063 12.282 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.734 14.614 -0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.078 15.149 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -10.819 13.874 -2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.439 15.580 -2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -8.942 14.739 -4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -8.017 14.849 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -8.609 13.342 -3.326 1.00 0.00 H new ATOM 844 N GLU A 409 -9.255 11.378 3.553 1.00 0.00 N ATOM 845 CA GLU A 409 -9.063 11.343 4.998 1.00 0.00 C ATOM 846 C GLU A 409 -8.139 10.193 5.389 1.00 0.00 C ATOM 847 O GLU A 409 -7.203 10.372 6.171 1.00 0.00 O ATOM 848 CB GLU A 409 -10.411 11.200 5.710 1.00 0.00 C ATOM 849 CG GLU A 409 -11.378 12.336 5.414 1.00 0.00 C ATOM 850 CD GLU A 409 -12.700 12.185 6.145 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.859 11.194 6.888 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.575 13.059 5.972 1.00 0.00 O ATOM 0 H GLU A 409 -10.231 11.350 3.257 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.600 12.281 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.870 10.257 5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.241 11.149 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.917 13.283 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.564 12.379 4.341 1.00 0.00 H new ATOM 859 N GLU A 410 -8.402 9.017 4.829 1.00 0.00 N ATOM 860 CA GLU A 410 -7.588 7.839 5.109 1.00 0.00 C ATOM 861 C GLU A 410 -6.169 8.033 4.586 1.00 0.00 C ATOM 862 O GLU A 410 -5.198 7.783 5.298 1.00 0.00 O ATOM 863 CB GLU A 410 -8.218 6.595 4.477 1.00 0.00 C ATOM 864 CG GLU A 410 -7.413 5.322 4.691 1.00 0.00 C ATOM 865 CD GLU A 410 -7.314 4.921 6.152 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.923 5.605 7.003 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.631 3.917 6.446 1.00 0.00 O ATOM 0 H GLU A 410 -9.171 8.854 4.179 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.544 7.700 6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.217 6.456 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.336 6.763 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.872 4.510 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.409 5.462 4.289 1.00 0.00 H new ATOM 874 N ALA A 411 -6.060 8.485 3.340 1.00 0.00 N ATOM 875 CA ALA A 411 -4.761 8.721 2.718 1.00 0.00 C ATOM 876 C ALA A 411 -3.894 9.633 3.579 1.00 0.00 C ATOM 877 O ALA A 411 -2.694 9.403 3.732 1.00 0.00 O ATOM 878 CB ALA A 411 -4.945 9.324 1.334 1.00 0.00 C ATOM 0 H ALA A 411 -6.858 8.696 2.740 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.252 7.762 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -3.969 9.496 0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -5.520 8.638 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.478 10.271 1.418 1.00 0.00 H new ATOM 884 N LYS A 412 -4.510 10.668 4.137 1.00 0.00 N ATOM 885 CA LYS A 412 -3.801 11.618 4.985 1.00 0.00 C ATOM 886 C LYS A 412 -3.222 10.924 6.214 1.00 0.00 C ATOM 887 O LYS A 412 -2.071 11.152 6.583 1.00 0.00 O ATOM 888 CB LYS A 412 -4.746 12.742 5.413 1.00 0.00 C ATOM 889 CG LYS A 412 -5.267 13.572 4.251 1.00 0.00 C ATOM 890 CD LYS A 412 -6.360 14.534 4.693 1.00 0.00 C ATOM 891 CE LYS A 412 -5.841 15.561 5.687 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.749 16.393 5.109 1.00 0.00 N ATOM 0 H LYS A 412 -5.502 10.871 4.017 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.976 12.041 4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.592 12.311 5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.226 13.397 6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -4.445 14.134 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.655 12.911 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.768 15.046 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.178 13.972 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.661 16.207 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.475 15.051 6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.574 17.213 5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -3.881 15.824 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.028 16.723 4.163 1.00 0.00 H new ATOM 906 N LYS A 413 -4.029 10.075 6.844 1.00 0.00 N ATOM 907 CA LYS A 413 -3.596 9.349 8.034 1.00 0.00 C ATOM 908 C LYS A 413 -2.463 8.377 7.711 1.00 0.00 C ATOM 909 O LYS A 413 -1.477 8.295 8.444 1.00 0.00 O ATOM 910 CB LYS A 413 -4.775 8.589 8.646 1.00 0.00 C ATOM 911 CG LYS A 413 -5.904 9.493 9.112 1.00 0.00 C ATOM 912 CD LYS A 413 -7.065 8.701 9.703 1.00 0.00 C ATOM 913 CE LYS A 413 -6.691 8.025 11.016 1.00 0.00 C ATOM 914 NZ LYS A 413 -5.705 6.925 10.825 1.00 0.00 N ATOM 0 H LYS A 413 -4.985 9.873 6.551 1.00 0.00 H new ATOM 0 HA LYS A 413 -3.223 10.078 8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -5.164 7.885 7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.418 8.001 9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -5.525 10.191 9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -6.262 10.088 8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -7.911 9.368 9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -7.389 7.946 8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -6.277 8.767 11.699 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -7.590 7.626 11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -5.962 6.119 11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -5.708 6.625 9.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -4.755 7.262 11.082 1.00 0.00 H new ATOM 928 N VAL A 414 -2.614 7.641 6.615 1.00 0.00 N ATOM 929 CA VAL A 414 -1.611 6.666 6.194 1.00 0.00 C ATOM 930 C VAL A 414 -0.269 7.333 5.904 1.00 0.00 C ATOM 931 O VAL A 414 0.784 6.826 6.292 1.00 0.00 O ATOM 932 CB VAL A 414 -2.071 5.897 4.942 1.00 0.00 C ATOM 933 CG1 VAL A 414 -1.044 4.846 4.548 1.00 0.00 C ATOM 934 CG2 VAL A 414 -3.433 5.261 5.178 1.00 0.00 C ATOM 0 H VAL A 414 -3.425 7.701 5.999 1.00 0.00 H new ATOM 0 HA VAL A 414 -1.488 5.966 7.021 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.162 6.605 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.389 4.315 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -0.092 5.331 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.914 4.139 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.743 4.722 4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -3.370 4.567 6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -4.163 6.038 5.404 1.00 0.00 H new ATOM 944 N ALA A 415 -0.312 8.463 5.213 1.00 0.00 N ATOM 945 CA ALA A 415 0.900 9.195 4.868 1.00 0.00 C ATOM 946 C ALA A 415 1.551 9.802 6.105 1.00 0.00 C ATOM 947 O ALA A 415 2.775 9.859 6.212 1.00 0.00 O ATOM 948 CB ALA A 415 0.588 10.282 3.851 1.00 0.00 C ATOM 0 H ALA A 415 -1.174 8.894 4.879 1.00 0.00 H new ATOM 0 HA ALA A 415 1.605 8.489 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.502 10.821 3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 415 0.177 9.829 2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.139 10.976 4.272 1.00 0.00 H new ATOM 954 N ASP A 416 0.720 10.269 7.030 1.00 0.00 N ATOM 955 CA ASP A 416 1.209 10.890 8.257 1.00 0.00 C ATOM 956 C ASP A 416 1.497 9.860 9.343 1.00 0.00 C ATOM 957 O ASP A 416 1.199 10.082 10.517 1.00 0.00 O ATOM 958 CB ASP A 416 0.200 11.916 8.769 1.00 0.00 C ATOM 959 CG ASP A 416 0.093 13.128 7.864 1.00 0.00 C ATOM 960 OD1 ASP A 416 -0.219 12.952 6.667 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.323 14.254 8.353 1.00 0.00 O ATOM 0 H ASP A 416 -0.296 10.230 6.954 1.00 0.00 H new ATOM 0 HA ASP A 416 2.147 11.390 8.016 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.779 11.445 8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.490 12.238 9.769 1.00 0.00 H new ATOM 966 N GLU A 417 2.086 8.738 8.950 1.00 0.00 N ATOM 967 CA GLU A 417 2.420 7.684 9.908 1.00 0.00 C ATOM 968 C GLU A 417 3.514 6.757 9.379 1.00 0.00 C ATOM 969 O GLU A 417 4.350 6.278 10.146 1.00 0.00 O ATOM 970 CB GLU A 417 1.178 6.869 10.275 1.00 0.00 C ATOM 971 CG GLU A 417 0.593 6.081 9.117 1.00 0.00 C ATOM 972 CD GLU A 417 -0.584 5.222 9.536 1.00 0.00 C ATOM 973 OE1 GLU A 417 -0.391 4.324 10.382 1.00 0.00 O ATOM 974 OE2 GLU A 417 -1.699 5.450 9.022 1.00 0.00 O ATOM 0 H GLU A 417 2.342 8.532 7.984 1.00 0.00 H new ATOM 0 HA GLU A 417 2.801 8.176 10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 417 1.433 6.179 11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 417 0.415 7.543 10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 417 0.275 6.771 8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 417 1.367 5.446 8.686 1.00 0.00 H new ATOM 981 N THR A 418 3.509 6.495 8.073 1.00 0.00 N ATOM 982 CA THR A 418 4.508 5.614 7.476 1.00 0.00 C ATOM 983 C THR A 418 4.659 5.860 5.974 1.00 0.00 C ATOM 984 O THR A 418 4.497 4.948 5.160 1.00 0.00 O ATOM 985 CB THR A 418 4.164 4.134 7.724 1.00 0.00 C ATOM 986 OG1 THR A 418 5.100 3.287 7.046 1.00 0.00 O ATOM 987 CG2 THR A 418 2.756 3.831 7.253 1.00 0.00 C ATOM 0 H THR A 418 2.830 6.877 7.414 1.00 0.00 H new ATOM 0 HA THR A 418 5.457 5.845 7.959 1.00 0.00 H new ATOM 0 HB THR A 418 4.224 3.941 8.795 1.00 0.00 H new ATOM 0 HG1 THR A 418 5.044 3.445 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 418 2.529 2.781 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 418 2.048 4.455 7.798 1.00 0.00 H new ATOM 0 HG23 THR A 418 2.677 4.039 6.186 1.00 0.00 H new ATOM 995 N ALA A 419 4.978 7.100 5.612 1.00 0.00 N ATOM 996 CA ALA A 419 5.159 7.465 4.211 1.00 0.00 C ATOM 997 C ALA A 419 5.851 8.817 4.081 1.00 0.00 C ATOM 998 O ALA A 419 6.852 8.948 3.375 1.00 0.00 O ATOM 999 CB ALA A 419 3.818 7.485 3.493 1.00 0.00 C ATOM 0 H ALA A 419 5.116 7.868 6.269 1.00 0.00 H new ATOM 0 HA ALA A 419 5.797 6.714 3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 419 3.968 7.759 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 419 3.362 6.497 3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 419 3.162 8.214 3.968 1.00 0.00 H new ATOM 1005 N LYS A 420 5.316 9.820 4.770 1.00 0.00 N ATOM 1006 CA LYS A 420 5.889 11.162 4.736 1.00 0.00 C ATOM 1007 C LYS A 420 6.750 11.416 5.970 1.00 0.00 C ATOM 1008 O LYS A 420 6.779 12.527 6.501 1.00 0.00 O ATOM 1009 CB LYS A 420 4.780 12.211 4.643 1.00 0.00 C ATOM 1010 CG LYS A 420 3.919 12.077 3.397 1.00 0.00 C ATOM 1011 CD LYS A 420 2.856 13.161 3.337 1.00 0.00 C ATOM 1012 CE LYS A 420 2.002 13.031 2.085 1.00 0.00 C ATOM 1013 NZ LYS A 420 0.963 14.095 2.011 1.00 0.00 N ATOM 0 H LYS A 420 4.488 9.730 5.358 1.00 0.00 H new ATOM 0 HA LYS A 420 6.523 11.239 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 420 4.143 12.134 5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 420 5.228 13.204 4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 420 4.549 12.134 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 420 3.442 11.097 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 420 2.221 13.099 4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 420 3.332 14.141 3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 420 2.640 13.084 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 420 1.522 12.053 2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 0.402 13.972 1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 0.339 14.029 2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 1.422 15.028 1.997 1.00 0.00 H new ATOM 1027 N ASP A 421 7.451 10.377 6.417 1.00 0.00 N ATOM 1028 CA ASP A 421 8.319 10.477 7.588 1.00 0.00 C ATOM 1029 C ASP A 421 7.542 10.993 8.799 1.00 0.00 C ATOM 1030 O ASP A 421 7.983 11.913 9.488 1.00 0.00 O ATOM 1031 CB ASP A 421 9.507 11.396 7.290 1.00 0.00 C ATOM 1032 CG ASP A 421 10.519 11.428 8.420 1.00 0.00 C ATOM 1033 OD1 ASP A 421 11.080 10.361 8.745 1.00 0.00 O ATOM 1034 OD2 ASP A 421 10.750 12.520 8.979 1.00 0.00 O ATOM 0 H ASP A 421 7.435 9.453 5.985 1.00 0.00 H new ATOM 0 HA ASP A 421 8.693 9.480 7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 421 9.999 11.063 6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 421 9.142 12.406 7.105 1.00 0.00 H new ATOM 1039 N GLY A 422 6.381 10.397 9.049 1.00 0.00 N ATOM 1040 CA GLY A 422 5.562 10.812 10.174 1.00 0.00 C ATOM 1041 C GLY A 422 6.235 10.563 11.512 1.00 0.00 C ATOM 1042 O GLY A 422 6.732 9.466 11.769 1.00 0.00 O ATOM 0 H GLY A 422 5.992 9.635 8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 422 5.333 11.873 10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 422 4.613 10.277 10.144 1.00 0.00 H new ATOM 1046 N LYS A 423 6.249 11.584 12.364 1.00 0.00 N ATOM 1047 CA LYS A 423 6.863 11.478 13.684 1.00 0.00 C ATOM 1048 C LYS A 423 5.906 10.819 14.678 1.00 0.00 C ATOM 1049 O LYS A 423 5.573 11.396 15.716 1.00 0.00 O ATOM 1050 CB LYS A 423 7.281 12.865 14.184 1.00 0.00 C ATOM 1051 CG LYS A 423 8.069 12.836 15.487 1.00 0.00 C ATOM 1052 CD LYS A 423 8.452 14.237 15.943 1.00 0.00 C ATOM 1053 CE LYS A 423 9.388 14.914 14.954 1.00 0.00 C ATOM 1054 NZ LYS A 423 9.784 16.277 15.406 1.00 0.00 N ATOM 0 H LYS A 423 5.841 12.497 12.163 1.00 0.00 H new ATOM 0 HA LYS A 423 7.751 10.851 13.601 1.00 0.00 H new ATOM 0 HB2 LYS A 423 7.883 13.351 13.417 1.00 0.00 H new ATOM 0 HB3 LYS A 423 6.389 13.475 14.323 1.00 0.00 H new ATOM 0 HG2 LYS A 423 7.475 12.351 16.261 1.00 0.00 H new ATOM 0 HG3 LYS A 423 8.970 12.237 15.354 1.00 0.00 H new ATOM 0 HD2 LYS A 423 7.552 14.840 16.063 1.00 0.00 H new ATOM 0 HD3 LYS A 423 8.932 14.183 16.920 1.00 0.00 H new ATOM 0 HE2 LYS A 423 10.280 14.302 14.822 1.00 0.00 H new ATOM 0 HE3 LYS A 423 8.901 14.982 13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 10.422 16.704 14.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 8.935 16.869 15.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 10.272 16.211 16.322 1.00 0.00 H new ATOM 1068 N THR A 424 5.460 9.609 14.352 1.00 0.00 N ATOM 1069 CA THR A 424 4.538 8.874 15.213 1.00 0.00 C ATOM 1070 C THR A 424 5.122 8.680 16.609 1.00 0.00 C ATOM 1071 O THR A 424 6.300 8.359 16.761 1.00 0.00 O ATOM 1072 CB THR A 424 4.192 7.497 14.619 1.00 0.00 C ATOM 1073 OG1 THR A 424 5.386 6.724 14.443 1.00 0.00 O ATOM 1074 CG2 THR A 424 3.478 7.647 13.285 1.00 0.00 C ATOM 0 H THR A 424 5.722 9.117 13.498 1.00 0.00 H new ATOM 0 HA THR A 424 3.629 9.471 15.283 1.00 0.00 H new ATOM 0 HB THR A 424 3.527 6.984 15.313 1.00 0.00 H new ATOM 0 HG1 THR A 424 5.157 5.849 14.066 1.00 0.00 H new ATOM 0 HG21 THR A 424 3.244 6.661 12.885 1.00 0.00 H new ATOM 0 HG22 THR A 424 2.555 8.209 13.427 1.00 0.00 H new ATOM 0 HG23 THR A 424 4.123 8.179 12.585 1.00 0.00 H new ATOM 1082 N GLY A 425 4.288 8.876 17.628 1.00 0.00 N ATOM 1083 CA GLY A 425 4.742 8.718 18.998 1.00 0.00 C ATOM 1084 C GLY A 425 3.623 8.887 20.010 1.00 0.00 C ATOM 1085 O GLY A 425 3.521 8.118 20.965 1.00 0.00 O ATOM 0 H GLY A 425 3.308 9.141 17.529 1.00 0.00 H new ATOM 0 HA2 GLY A 425 5.188 7.730 19.117 1.00 0.00 H new ATOM 0 HA3 GLY A 425 5.525 9.448 19.203 1.00 0.00 H new ATOM 1089 N ASN A 426 2.785 9.899 19.800 1.00 0.00 N ATOM 1090 CA ASN A 426 1.669 10.171 20.703 1.00 0.00 C ATOM 1091 C ASN A 426 0.763 8.950 20.841 1.00 0.00 C ATOM 1092 O ASN A 426 0.467 8.270 19.859 1.00 0.00 O ATOM 1093 CB ASN A 426 0.858 11.367 20.200 1.00 0.00 C ATOM 1094 CG ASN A 426 -0.312 11.693 21.106 1.00 0.00 C ATOM 1095 OD1 ASN A 426 -1.520 11.641 20.557 1.00 0.00 O flip ATOM 1096 ND2 ASN A 426 -0.133 11.990 22.288 1.00 0.00 N flip ATOM 0 H ASN A 426 2.857 10.544 19.013 1.00 0.00 H new ATOM 0 HA ASN A 426 2.081 10.405 21.684 1.00 0.00 H new ATOM 0 HB2 ASN A 426 1.509 12.238 20.124 1.00 0.00 H new ATOM 0 HB3 ASN A 426 0.489 11.156 19.196 1.00 0.00 H new ATOM 0 HD21 ASN A 426 0.813 12.018 22.669 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -0.930 12.208 22.885 1.00 0.00 H new ATOM 1103 N THR A 427 0.328 8.681 22.069 1.00 0.00 N ATOM 1104 CA THR A 427 -0.542 7.542 22.342 1.00 0.00 C ATOM 1105 C THR A 427 -1.864 7.663 21.589 1.00 0.00 C ATOM 1106 O THR A 427 -2.283 6.729 20.903 1.00 0.00 O ATOM 1107 CB THR A 427 -0.830 7.410 23.849 1.00 0.00 C ATOM 1108 OG1 THR A 427 0.398 7.260 24.571 1.00 0.00 O ATOM 1109 CG2 THR A 427 -1.734 6.217 24.129 1.00 0.00 C ATOM 0 H THR A 427 0.564 9.237 22.891 1.00 0.00 H new ATOM 0 HA THR A 427 -0.016 6.651 21.999 1.00 0.00 H new ATOM 0 HB THR A 427 -1.339 8.316 24.177 1.00 0.00 H new ATOM 0 HG1 THR A 427 0.207 7.178 25.529 1.00 0.00 H new ATOM 0 HG21 THR A 427 -1.922 6.146 25.200 1.00 0.00 H new ATOM 0 HG22 THR A 427 -2.680 6.346 23.602 1.00 0.00 H new ATOM 0 HG23 THR A 427 -1.248 5.304 23.785 1.00 0.00 H new ATOM 1117 N ASN A 428 -2.514 8.818 21.720 1.00 0.00 N ATOM 1118 CA ASN A 428 -3.785 9.065 21.054 1.00 0.00 C ATOM 1119 C ASN A 428 -4.243 10.497 21.297 1.00 0.00 C ATOM 1120 O ASN A 428 -4.104 11.022 22.403 1.00 0.00 O ATOM 1121 CB ASN A 428 -4.850 8.081 21.544 1.00 0.00 C ATOM 1122 CG ASN A 428 -6.172 8.242 20.817 1.00 0.00 C ATOM 1123 OD1 ASN A 428 -6.800 9.299 20.870 1.00 0.00 O ATOM 1124 ND2 ASN A 428 -6.600 7.188 20.131 1.00 0.00 N ATOM 0 H ASN A 428 -2.177 9.598 22.284 1.00 0.00 H new ATOM 0 HA ASN A 428 -3.644 8.919 19.983 1.00 0.00 H new ATOM 0 HB2 ASN A 428 -4.487 7.062 21.409 1.00 0.00 H new ATOM 0 HB3 ASN A 428 -5.008 8.225 22.613 1.00 0.00 H new ATOM 0 HD21 ASN A 428 -7.482 7.235 19.621 1.00 0.00 H new ATOM 0 HD22 ASN A 428 -6.047 6.331 20.115 1.00 0.00 H new ATOM 1131 N THR A 429 -4.788 11.124 20.260 1.00 0.00 N ATOM 1132 CA THR A 429 -5.263 12.498 20.362 1.00 0.00 C ATOM 1133 C THR A 429 -6.225 12.654 21.535 1.00 0.00 C ATOM 1134 O THR A 429 -7.144 11.853 21.706 1.00 0.00 O ATOM 1135 CB THR A 429 -5.966 12.949 19.067 1.00 0.00 C ATOM 1136 OG1 THR A 429 -5.074 12.814 17.955 1.00 0.00 O ATOM 1137 CG2 THR A 429 -6.430 14.395 19.175 1.00 0.00 C ATOM 0 H THR A 429 -4.912 10.702 19.340 1.00 0.00 H new ATOM 0 HA THR A 429 -4.388 13.128 20.524 1.00 0.00 H new ATOM 0 HB THR A 429 -6.839 12.314 18.915 1.00 0.00 H new ATOM 0 HG1 THR A 429 -5.528 13.101 17.135 1.00 0.00 H new ATOM 0 HG21 THR A 429 -6.923 14.689 18.248 1.00 0.00 H new ATOM 0 HG22 THR A 429 -7.130 14.491 20.005 1.00 0.00 H new ATOM 0 HG23 THR A 429 -5.570 15.041 19.349 1.00 0.00 H new ATOM 1145 N THR A 430 -5.996 13.688 22.340 1.00 0.00 N ATOM 1146 CA THR A 430 -6.827 13.967 23.506 1.00 0.00 C ATOM 1147 C THR A 430 -6.975 12.733 24.395 1.00 0.00 C ATOM 1148 O THR A 430 -8.038 12.496 24.970 1.00 0.00 O ATOM 1149 CB THR A 430 -8.228 14.472 23.105 1.00 0.00 C ATOM 1150 OG1 THR A 430 -8.934 13.460 22.378 1.00 0.00 O ATOM 1151 CG2 THR A 430 -8.125 15.730 22.256 1.00 0.00 C ATOM 0 H THR A 430 -5.234 14.352 22.203 1.00 0.00 H new ATOM 0 HA THR A 430 -6.318 14.752 24.065 1.00 0.00 H new ATOM 0 HB THR A 430 -8.775 14.707 24.018 1.00 0.00 H new ATOM 0 HG1 THR A 430 -8.482 12.598 22.494 1.00 0.00 H new ATOM 0 HG21 THR A 430 -9.125 16.069 21.985 1.00 0.00 H new ATOM 0 HG22 THR A 430 -7.619 16.511 22.823 1.00 0.00 H new ATOM 0 HG23 THR A 430 -7.557 15.513 21.351 1.00 0.00 H new ATOM 1159 N GLY A 431 -5.899 11.957 24.509 1.00 0.00 N ATOM 1160 CA GLY A 431 -5.928 10.764 25.336 1.00 0.00 C ATOM 1161 C GLY A 431 -6.855 9.691 24.793 1.00 0.00 C ATOM 1162 O GLY A 431 -7.963 9.985 24.344 1.00 0.00 O ATOM 0 H GLY A 431 -5.009 12.134 24.043 1.00 0.00 H new ATOM 0 HA2 GLY A 431 -4.919 10.359 25.416 1.00 0.00 H new ATOM 0 HA3 GLY A 431 -6.244 11.034 26.344 1.00 0.00 H new ATOM 1166 N SER A 432 -6.395 8.445 24.834 1.00 0.00 N ATOM 1167 CA SER A 432 -7.182 7.316 24.347 1.00 0.00 C ATOM 1168 C SER A 432 -8.270 6.931 25.348 1.00 0.00 C ATOM 1169 O SER A 432 -8.244 5.838 25.916 1.00 0.00 O ATOM 1170 CB SER A 432 -6.273 6.116 24.072 1.00 0.00 C ATOM 1171 OG SER A 432 -5.586 5.715 25.246 1.00 0.00 O ATOM 0 H SER A 432 -5.478 8.190 25.201 1.00 0.00 H new ATOM 0 HA SER A 432 -7.665 7.618 23.418 1.00 0.00 H new ATOM 0 HB2 SER A 432 -6.868 5.285 23.693 1.00 0.00 H new ATOM 0 HB3 SER A 432 -5.553 6.372 23.295 1.00 0.00 H new ATOM 0 HG SER A 432 -6.234 5.529 25.957 1.00 0.00 H new ATOM 1177 N SER A 433 -9.224 7.833 25.562 1.00 0.00 N ATOM 1178 CA SER A 433 -10.317 7.583 26.497 1.00 0.00 C ATOM 1179 C SER A 433 -11.085 6.323 26.115 1.00 0.00 C ATOM 1180 O SER A 433 -11.586 5.636 27.030 1.00 0.00 O ATOM 1181 CB SER A 433 -11.268 8.781 26.537 1.00 0.00 C ATOM 1182 OG SER A 433 -10.595 9.954 26.963 1.00 0.00 O ATOM 1183 OXT SER A 433 -11.179 6.032 24.904 1.00 0.00 O ATOM 0 H SER A 433 -9.262 8.742 25.101 1.00 0.00 H new ATOM 0 HA SER A 433 -9.886 7.437 27.487 1.00 0.00 H new ATOM 0 HB2 SER A 433 -11.696 8.943 25.548 1.00 0.00 H new ATOM 0 HB3 SER A 433 -12.097 8.568 27.212 1.00 0.00 H new ATOM 0 HG SER A 433 -11.224 10.705 26.978 1.00 0.00 H new TER 1189 SER A 433