USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 429 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 430 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 396 HIS : no HE2:sc= -2.43! C(o=-2.2!,f=-3.6!) USER MOD Set 2.2: A 405 THR OG1 : rot -91:sc= 0.206 USER MOD Set 3.1: A 377 THR OG1 : rot -56:sc= 1.15 USER MOD Set 3.2: A 380 SER OG : rot 84:sc= 1.25 USER MOD Set 4.1: A 355 SER OG : rot 74:sc= -0.038 USER MOD Set 4.2: A 356 HIS : no HD1:sc= 0.127 K(o=0.089,f=-3.8!) USER MOD Single : A 357 MET CE :methyl 159:sc= -0.184 (180deg=-0.746) USER MOD Single : A 362 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 LYS NZ :NH3+ -167:sc= -0.0386 (180deg=-0.239) USER MOD Single : A 365 HIS : no HD1:sc= -0.395 K(o=-0.4,f=-3.3) USER MOD Single : A 366 LYS NZ :NH3+ -168:sc= -0.0273 (180deg=-0.201) USER MOD Single : A 370 SER OG : rot 56:sc= 0.96 USER MOD Single : A 371 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 372 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 373 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 382 ASN :FLIP amide:sc= -1.19 F(o=-3.7!,f=-1.2) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 390 LYS NZ :NH3+ -156:sc= -1.26 (180deg=-1.84) USER MOD Single : A 391 SER OG : rot 175:sc= -0.363 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.47) USER MOD Single : A 401 ASN :FLIP amide:sc= -1.55 F(o=-6.4!,f=-1.6) USER MOD Single : A 402 LYS NZ :NH3+ -168:sc=-0.00779 (180deg=-0.208) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 145:sc= -3.32! (180deg=-5.76!) USER MOD Single : A 412 LYS NZ :NH3+ 167:sc= -0.0221 (180deg=-0.227) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 14:sc= 0.669 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 -64:sc= 0.0133 USER MOD Single : A 426 ASN : amide:sc= -0.019 X(o=-0.019,f=-0.019) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 17.122 -0.565 7.744 1.00 0.00 N ATOM 2 CA GLY A 354 17.890 0.395 8.584 1.00 0.00 C ATOM 3 C GLY A 354 18.595 1.454 7.760 1.00 0.00 C ATOM 4 O GLY A 354 18.014 2.012 6.827 1.00 0.00 O ATOM 0 HA2 GLY A 354 17.213 0.879 9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 354 18.626 -0.152 9.174 1.00 0.00 H new ATOM 10 N SER A 355 19.849 1.732 8.103 1.00 0.00 N ATOM 11 CA SER A 355 20.635 2.732 7.390 1.00 0.00 C ATOM 12 C SER A 355 20.878 2.305 5.945 1.00 0.00 C ATOM 13 O SER A 355 20.708 3.095 5.016 1.00 0.00 O ATOM 14 CB SER A 355 21.974 2.959 8.095 1.00 0.00 C ATOM 15 OG SER A 355 22.744 1.770 8.123 1.00 0.00 O ATOM 0 H SER A 355 20.343 1.278 8.871 1.00 0.00 H new ATOM 0 HA SER A 355 20.070 3.664 7.387 1.00 0.00 H new ATOM 0 HB2 SER A 355 22.530 3.744 7.582 1.00 0.00 H new ATOM 0 HB3 SER A 355 21.798 3.306 9.113 1.00 0.00 H new ATOM 0 HG SER A 355 23.103 1.592 7.229 1.00 0.00 H new ATOM 21 N HIS A 356 21.277 1.048 5.765 1.00 0.00 N ATOM 22 CA HIS A 356 21.545 0.508 4.437 1.00 0.00 C ATOM 23 C HIS A 356 20.276 0.484 3.590 1.00 0.00 C ATOM 24 O HIS A 356 19.202 0.122 4.075 1.00 0.00 O ATOM 25 CB HIS A 356 22.130 -0.901 4.548 1.00 0.00 C ATOM 26 CG HIS A 356 23.402 -0.961 5.336 1.00 0.00 C ATOM 27 ND1 HIS A 356 23.483 -0.599 6.665 1.00 0.00 N ATOM 28 CD2 HIS A 356 24.651 -1.339 4.975 1.00 0.00 C ATOM 29 CE1 HIS A 356 24.725 -0.751 7.086 1.00 0.00 C ATOM 30 NE2 HIS A 356 25.453 -1.201 6.081 1.00 0.00 N ATOM 0 H HIS A 356 21.422 0.384 6.525 1.00 0.00 H new ATOM 0 HA HIS A 356 22.270 1.157 3.947 1.00 0.00 H new ATOM 0 HB2 HIS A 356 21.393 -1.556 5.013 1.00 0.00 H new ATOM 0 HB3 HIS A 356 22.314 -1.289 3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 356 24.959 -1.685 3.999 1.00 0.00 H new ATOM 0 HE1 HIS A 356 25.084 -0.543 8.083 1.00 0.00 H new ATOM 0 HE2 HIS A 356 26.450 -1.412 6.120 1.00 0.00 H new ATOM 39 N MET A 357 20.407 0.872 2.324 1.00 0.00 N ATOM 40 CA MET A 357 19.271 0.898 1.408 1.00 0.00 C ATOM 41 C MET A 357 18.690 -0.501 1.213 1.00 0.00 C ATOM 42 O MET A 357 19.426 -1.466 1.003 1.00 0.00 O ATOM 43 CB MET A 357 19.690 1.490 0.060 1.00 0.00 C ATOM 44 CG MET A 357 20.827 0.737 -0.612 1.00 0.00 C ATOM 45 SD MET A 357 21.308 1.467 -2.190 1.00 0.00 S ATOM 46 CE MET A 357 21.819 3.103 -1.670 1.00 0.00 C ATOM 0 H MET A 357 21.289 1.173 1.909 1.00 0.00 H new ATOM 0 HA MET A 357 18.497 1.528 1.847 1.00 0.00 H new ATOM 0 HB2 MET A 357 18.828 1.498 -0.607 1.00 0.00 H new ATOM 0 HB3 MET A 357 19.990 2.528 0.206 1.00 0.00 H new ATOM 0 HG2 MET A 357 21.690 0.720 0.054 1.00 0.00 H new ATOM 0 HG3 MET A 357 20.527 -0.299 -0.772 1.00 0.00 H new ATOM 0 HE1 MET A 357 22.474 3.537 -2.426 1.00 0.00 H new ATOM 0 HE2 MET A 357 20.940 3.736 -1.544 1.00 0.00 H new ATOM 0 HE3 MET A 357 22.354 3.033 -0.723 1.00 0.00 H new ATOM 56 N LEU A 358 17.366 -0.600 1.289 1.00 0.00 N ATOM 57 CA LEU A 358 16.677 -1.878 1.127 1.00 0.00 C ATOM 58 C LEU A 358 16.716 -2.341 -0.332 1.00 0.00 C ATOM 59 O LEU A 358 17.747 -2.236 -0.996 1.00 0.00 O ATOM 60 CB LEU A 358 15.228 -1.769 1.616 1.00 0.00 C ATOM 61 CG LEU A 358 15.053 -1.590 3.128 1.00 0.00 C ATOM 62 CD1 LEU A 358 15.613 -0.254 3.589 1.00 0.00 C ATOM 63 CD2 LEU A 358 13.585 -1.714 3.511 1.00 0.00 C ATOM 0 H LEU A 358 16.747 0.192 1.462 1.00 0.00 H new ATOM 0 HA LEU A 358 17.195 -2.622 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 358 14.755 -0.927 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 358 14.691 -2.667 1.310 1.00 0.00 H new ATOM 0 HG LEU A 358 15.612 -2.380 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 358 15.475 -0.154 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 358 16.676 -0.204 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 358 15.090 0.555 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 358 13.478 -1.584 4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 358 13.008 -0.947 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 358 13.217 -2.699 3.226 1.00 0.00 H new ATOM 75 N GLU A 359 15.589 -2.857 -0.824 1.00 0.00 N ATOM 76 CA GLU A 359 15.502 -3.336 -2.201 1.00 0.00 C ATOM 77 C GLU A 359 14.059 -3.670 -2.568 1.00 0.00 C ATOM 78 O GLU A 359 13.328 -4.265 -1.778 1.00 0.00 O ATOM 79 CB GLU A 359 16.389 -4.570 -2.391 1.00 0.00 C ATOM 80 CG GLU A 359 16.376 -5.117 -3.809 1.00 0.00 C ATOM 81 CD GLU A 359 17.247 -6.348 -3.967 1.00 0.00 C ATOM 82 OE1 GLU A 359 16.994 -7.349 -3.264 1.00 0.00 O ATOM 83 OE2 GLU A 359 18.180 -6.312 -4.798 1.00 0.00 O ATOM 0 H GLU A 359 14.726 -2.953 -0.289 1.00 0.00 H new ATOM 0 HA GLU A 359 15.852 -2.542 -2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 359 17.413 -4.316 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 359 16.061 -5.352 -1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 359 15.352 -5.362 -4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 359 16.719 -4.343 -4.496 1.00 0.00 H new ATOM 90 N VAL A 360 13.658 -3.277 -3.774 1.00 0.00 N ATOM 91 CA VAL A 360 12.302 -3.529 -4.253 1.00 0.00 C ATOM 92 C VAL A 360 12.002 -5.024 -4.303 1.00 0.00 C ATOM 93 O VAL A 360 12.833 -5.820 -4.742 1.00 0.00 O ATOM 94 CB VAL A 360 12.083 -2.927 -5.654 1.00 0.00 C ATOM 95 CG1 VAL A 360 10.651 -3.150 -6.119 1.00 0.00 C ATOM 96 CG2 VAL A 360 12.427 -1.446 -5.656 1.00 0.00 C ATOM 0 H VAL A 360 14.253 -2.782 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 360 11.624 -3.050 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 360 12.748 -3.434 -6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 360 10.519 -2.717 -7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 360 10.444 -4.219 -6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 360 9.963 -2.674 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 360 12.267 -1.037 -6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 360 11.790 -0.924 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 360 13.472 -1.315 -5.374 1.00 0.00 H new ATOM 106 N LEU A 361 10.805 -5.395 -3.855 1.00 0.00 N ATOM 107 CA LEU A 361 10.385 -6.794 -3.848 1.00 0.00 C ATOM 108 C LEU A 361 8.924 -6.922 -3.426 1.00 0.00 C ATOM 109 O LEU A 361 8.495 -6.309 -2.449 1.00 0.00 O ATOM 110 CB LEU A 361 11.271 -7.611 -2.905 1.00 0.00 C ATOM 111 CG LEU A 361 10.919 -9.097 -2.805 1.00 0.00 C ATOM 112 CD1 LEU A 361 11.055 -9.775 -4.161 1.00 0.00 C ATOM 113 CD2 LEU A 361 11.803 -9.782 -1.775 1.00 0.00 C ATOM 0 H LEU A 361 10.108 -4.745 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 361 10.489 -7.182 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 361 12.306 -7.521 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 361 11.215 -7.173 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 361 9.881 -9.183 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 361 10.800 -10.831 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 361 10.381 -9.301 -4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 361 12.082 -9.680 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 361 11.541 -10.838 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 361 12.848 -9.684 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 361 11.655 -9.316 -0.801 1.00 0.00 H new ATOM 125 N THR A 362 8.166 -7.725 -4.169 1.00 0.00 N ATOM 126 CA THR A 362 6.755 -7.935 -3.868 1.00 0.00 C ATOM 127 C THR A 362 6.581 -8.788 -2.611 1.00 0.00 C ATOM 128 O THR A 362 7.372 -8.687 -1.673 1.00 0.00 O ATOM 129 CB THR A 362 6.022 -8.602 -5.048 1.00 0.00 C ATOM 130 OG1 THR A 362 6.627 -9.864 -5.354 1.00 0.00 O ATOM 131 CG2 THR A 362 6.053 -7.708 -6.280 1.00 0.00 C ATOM 0 H THR A 362 8.506 -8.239 -4.982 1.00 0.00 H new ATOM 0 HA THR A 362 6.316 -6.953 -3.694 1.00 0.00 H new ATOM 0 HB THR A 362 4.983 -8.759 -4.757 1.00 0.00 H new ATOM 0 HG1 THR A 362 6.153 -10.281 -6.104 1.00 0.00 H new ATOM 0 HG21 THR A 362 5.529 -8.200 -7.100 1.00 0.00 H new ATOM 0 HG22 THR A 362 5.564 -6.760 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 362 7.087 -7.523 -6.569 1.00 0.00 H new ATOM 139 N GLN A 363 5.545 -9.626 -2.592 1.00 0.00 N ATOM 140 CA GLN A 363 5.282 -10.487 -1.443 1.00 0.00 C ATOM 141 C GLN A 363 6.255 -11.662 -1.394 1.00 0.00 C ATOM 142 O GLN A 363 6.160 -12.590 -2.197 1.00 0.00 O ATOM 143 CB GLN A 363 3.841 -11.005 -1.485 1.00 0.00 C ATOM 144 CG GLN A 363 2.793 -9.904 -1.429 1.00 0.00 C ATOM 145 CD GLN A 363 1.377 -10.442 -1.490 1.00 0.00 C ATOM 146 OE1 GLN A 363 0.968 -11.244 -0.650 1.00 0.00 O ATOM 147 NE2 GLN A 363 0.618 -10.001 -2.487 1.00 0.00 N ATOM 0 H GLN A 363 4.877 -9.726 -3.357 1.00 0.00 H new ATOM 0 HA GLN A 363 5.424 -9.890 -0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 363 3.699 -11.584 -2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 363 3.685 -11.686 -0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 363 2.921 -9.332 -0.510 1.00 0.00 H new ATOM 0 HG3 GLN A 363 2.952 -9.214 -2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 363 0.997 -9.336 -3.161 1.00 0.00 H new ATOM 0 HE22 GLN A 363 -0.344 -10.327 -2.578 1.00 0.00 H new ATOM 156 N LYS A 364 7.174 -11.616 -0.432 1.00 0.00 N ATOM 157 CA LYS A 364 8.167 -12.674 -0.244 1.00 0.00 C ATOM 158 C LYS A 364 8.685 -12.654 1.189 1.00 0.00 C ATOM 159 O LYS A 364 9.264 -11.659 1.629 1.00 0.00 O ATOM 160 CB LYS A 364 9.344 -12.504 -1.214 1.00 0.00 C ATOM 161 CG LYS A 364 9.003 -12.784 -2.672 1.00 0.00 C ATOM 162 CD LYS A 364 8.588 -14.234 -2.887 1.00 0.00 C ATOM 163 CE LYS A 364 9.721 -15.198 -2.567 1.00 0.00 C ATOM 164 NZ LYS A 364 10.912 -14.958 -3.426 1.00 0.00 N ATOM 0 H LYS A 364 7.252 -10.849 0.236 1.00 0.00 H new ATOM 0 HA LYS A 364 7.684 -13.630 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 364 9.723 -11.485 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 364 10.151 -13.170 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 364 8.196 -12.124 -2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 364 9.866 -12.556 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 364 7.727 -14.463 -2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 364 8.274 -14.373 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 364 10.002 -15.093 -1.519 1.00 0.00 H new ATOM 0 HE3 LYS A 364 9.375 -16.223 -2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 11.571 -15.758 -3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 10.612 -14.864 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 11.387 -14.084 -3.124 1.00 0.00 H new ATOM 178 N HIS A 365 8.466 -13.757 1.909 1.00 0.00 N ATOM 179 CA HIS A 365 8.893 -13.889 3.305 1.00 0.00 C ATOM 180 C HIS A 365 8.013 -13.052 4.231 1.00 0.00 C ATOM 181 O HIS A 365 7.592 -13.517 5.291 1.00 0.00 O ATOM 182 CB HIS A 365 10.363 -13.488 3.471 1.00 0.00 C ATOM 183 CG HIS A 365 11.308 -14.339 2.683 1.00 0.00 C ATOM 184 ND1 HIS A 365 11.254 -14.453 1.310 1.00 0.00 N ATOM 185 CD2 HIS A 365 12.340 -15.120 3.083 1.00 0.00 C ATOM 186 CE1 HIS A 365 12.209 -15.269 0.900 1.00 0.00 C ATOM 187 NE2 HIS A 365 12.882 -15.685 1.956 1.00 0.00 N ATOM 0 H HIS A 365 7.990 -14.581 1.543 1.00 0.00 H new ATOM 0 HA HIS A 365 8.786 -14.938 3.582 1.00 0.00 H new ATOM 0 HB2 HIS A 365 10.484 -12.448 3.167 1.00 0.00 H new ATOM 0 HB3 HIS A 365 10.630 -13.545 4.526 1.00 0.00 H new ATOM 0 HD2 HIS A 365 12.674 -15.270 4.099 1.00 0.00 H new ATOM 0 HE1 HIS A 365 12.405 -15.548 -0.125 1.00 0.00 H new ATOM 0 HE2 HIS A 365 13.677 -16.324 1.938 1.00 0.00 H new ATOM 196 N LYS A 366 7.736 -11.816 3.825 1.00 0.00 N ATOM 197 CA LYS A 366 6.908 -10.912 4.610 1.00 0.00 C ATOM 198 C LYS A 366 6.064 -10.034 3.689 1.00 0.00 C ATOM 199 O LYS A 366 6.529 -9.607 2.631 1.00 0.00 O ATOM 200 CB LYS A 366 7.780 -10.030 5.502 1.00 0.00 C ATOM 201 CG LYS A 366 8.695 -10.815 6.428 1.00 0.00 C ATOM 202 CD LYS A 366 9.539 -9.893 7.292 1.00 0.00 C ATOM 203 CE LYS A 366 10.456 -9.017 6.452 1.00 0.00 C ATOM 204 NZ LYS A 366 11.401 -9.824 5.632 1.00 0.00 N ATOM 0 H LYS A 366 8.077 -11.418 2.950 1.00 0.00 H new ATOM 0 HA LYS A 366 6.248 -11.510 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 366 8.386 -9.379 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 366 7.137 -9.386 6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 366 8.097 -11.466 7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 366 9.347 -11.459 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 366 8.887 -9.262 7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 366 10.137 -10.488 7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 366 9.855 -8.386 5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 366 11.020 -8.351 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 12.134 -9.203 5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 11.847 -10.549 6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 10.882 -10.285 4.858 1.00 0.00 H new ATOM 218 N PRO A 367 4.809 -9.747 4.076 1.00 0.00 N ATOM 219 CA PRO A 367 3.912 -8.911 3.273 1.00 0.00 C ATOM 220 C PRO A 367 4.422 -7.482 3.136 1.00 0.00 C ATOM 221 O PRO A 367 4.843 -6.868 4.117 1.00 0.00 O ATOM 222 CB PRO A 367 2.598 -8.942 4.047 1.00 0.00 C ATOM 223 CG PRO A 367 2.972 -9.305 5.438 1.00 0.00 C ATOM 224 CD PRO A 367 4.169 -10.202 5.322 1.00 0.00 C ATOM 0 HA PRO A 367 3.822 -9.279 2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 367 2.099 -7.974 4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 367 1.908 -9.671 3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 367 3.206 -8.416 6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 367 2.151 -9.813 5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 367 4.835 -10.098 6.178 1.00 0.00 H new ATOM 0 HD3 PRO A 367 3.882 -11.252 5.267 1.00 0.00 H new ATOM 232 N ALA A 368 4.382 -6.961 1.910 1.00 0.00 N ATOM 233 CA ALA A 368 4.839 -5.604 1.623 1.00 0.00 C ATOM 234 C ALA A 368 6.343 -5.461 1.843 1.00 0.00 C ATOM 235 O ALA A 368 6.892 -5.966 2.823 1.00 0.00 O ATOM 236 CB ALA A 368 4.081 -4.593 2.472 1.00 0.00 C ATOM 0 H ALA A 368 4.034 -7.464 1.094 1.00 0.00 H new ATOM 0 HA ALA A 368 4.635 -5.403 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 368 4.436 -3.588 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 368 3.015 -4.660 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 368 4.249 -4.806 3.528 1.00 0.00 H new ATOM 242 N GLU A 369 7.005 -4.764 0.923 1.00 0.00 N ATOM 243 CA GLU A 369 8.445 -4.548 1.009 1.00 0.00 C ATOM 244 C GLU A 369 8.872 -3.393 0.114 1.00 0.00 C ATOM 245 O GLU A 369 9.680 -2.551 0.508 1.00 0.00 O ATOM 246 CB GLU A 369 9.203 -5.820 0.619 1.00 0.00 C ATOM 247 CG GLU A 369 10.717 -5.670 0.658 1.00 0.00 C ATOM 248 CD GLU A 369 11.251 -5.420 2.057 1.00 0.00 C ATOM 249 OE1 GLU A 369 10.446 -5.413 3.012 1.00 0.00 O ATOM 250 OE2 GLU A 369 12.478 -5.236 2.196 1.00 0.00 O ATOM 0 H GLU A 369 6.565 -4.338 0.107 1.00 0.00 H new ATOM 0 HA GLU A 369 8.687 -4.296 2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 369 8.910 -6.627 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 369 8.903 -6.117 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 369 11.177 -6.572 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 369 11.012 -4.845 0.009 1.00 0.00 H new ATOM 257 N SER A 370 8.321 -3.362 -1.089 1.00 0.00 N ATOM 258 CA SER A 370 8.633 -2.311 -2.051 1.00 0.00 C ATOM 259 C SER A 370 8.164 -0.954 -1.540 1.00 0.00 C ATOM 260 O SER A 370 7.045 -0.822 -1.045 1.00 0.00 O ATOM 261 CB SER A 370 7.975 -2.612 -3.400 1.00 0.00 C ATOM 262 OG SER A 370 8.369 -3.882 -3.889 1.00 0.00 O ATOM 0 H SER A 370 7.652 -4.055 -1.426 1.00 0.00 H new ATOM 0 HA SER A 370 9.715 -2.281 -2.180 1.00 0.00 H new ATOM 0 HB2 SER A 370 6.891 -2.580 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 370 8.247 -1.841 -4.121 1.00 0.00 H new ATOM 0 HG SER A 370 8.167 -4.568 -3.218 1.00 0.00 H new ATOM 268 N GLN A 371 9.024 0.053 -1.664 1.00 0.00 N ATOM 269 CA GLN A 371 8.692 1.400 -1.215 1.00 0.00 C ATOM 270 C GLN A 371 7.787 2.111 -2.220 1.00 0.00 C ATOM 271 O GLN A 371 7.920 3.313 -2.447 1.00 0.00 O ATOM 272 CB GLN A 371 9.969 2.214 -0.994 1.00 0.00 C ATOM 273 CG GLN A 371 10.838 2.334 -2.237 1.00 0.00 C ATOM 274 CD GLN A 371 12.094 3.160 -2.012 1.00 0.00 C ATOM 275 OE1 GLN A 371 12.293 3.634 -0.784 1.00 0.00 O flip ATOM 276 NE2 GLN A 371 12.880 3.371 -2.935 1.00 0.00 N flip ATOM 0 H GLN A 371 9.955 -0.039 -2.071 1.00 0.00 H new ATOM 0 HA GLN A 371 8.152 1.316 -0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 371 9.698 3.213 -0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 371 10.551 1.751 -0.197 1.00 0.00 H new ATOM 0 HG2 GLN A 371 11.122 1.336 -2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 371 10.253 2.785 -3.039 1.00 0.00 H new ATOM 0 HE21 GLN A 371 12.692 2.990 -3.862 1.00 0.00 H new ATOM 0 HE22 GLN A 371 13.720 3.927 -2.773 1.00 0.00 H new ATOM 285 N GLN A 372 6.862 1.362 -2.816 1.00 0.00 N ATOM 286 CA GLN A 372 5.936 1.924 -3.792 1.00 0.00 C ATOM 287 C GLN A 372 4.966 2.895 -3.126 1.00 0.00 C ATOM 288 O GLN A 372 4.354 2.574 -2.106 1.00 0.00 O ATOM 289 CB GLN A 372 5.158 0.807 -4.495 1.00 0.00 C ATOM 290 CG GLN A 372 4.375 -0.088 -3.545 1.00 0.00 C ATOM 291 CD GLN A 372 3.586 -1.174 -4.260 1.00 0.00 C ATOM 292 OE1 GLN A 372 3.661 -1.200 -5.587 1.00 0.00 O flip ATOM 293 NE2 GLN A 372 2.914 -1.985 -3.622 1.00 0.00 N flip ATOM 0 H GLN A 372 6.735 0.365 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 372 6.518 2.471 -4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 372 4.468 1.253 -5.211 1.00 0.00 H new ATOM 0 HB3 GLN A 372 5.856 0.194 -5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 372 5.066 -0.553 -2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 372 3.689 0.525 -2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 372 2.882 -1.932 -2.604 1.00 0.00 H new ATOM 0 HE22 GLN A 372 2.389 -2.710 -4.112 1.00 0.00 H new ATOM 302 N GLN A 373 4.830 4.082 -3.708 1.00 0.00 N ATOM 303 CA GLN A 373 3.933 5.096 -3.171 1.00 0.00 C ATOM 304 C GLN A 373 2.482 4.648 -3.253 1.00 0.00 C ATOM 305 O GLN A 373 2.070 4.008 -4.221 1.00 0.00 O ATOM 306 CB GLN A 373 4.113 6.421 -3.906 1.00 0.00 C ATOM 307 CG GLN A 373 5.388 7.146 -3.519 1.00 0.00 C ATOM 308 CD GLN A 373 5.566 8.456 -4.262 1.00 0.00 C ATOM 309 OE1 GLN A 373 5.622 8.483 -5.492 1.00 0.00 O ATOM 310 NE2 GLN A 373 5.661 9.550 -3.516 1.00 0.00 N ATOM 0 H GLN A 373 5.330 4.364 -4.551 1.00 0.00 H new ATOM 0 HA GLN A 373 4.189 5.238 -2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 373 4.119 6.236 -4.980 1.00 0.00 H new ATOM 0 HB3 GLN A 373 3.258 7.065 -3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 373 5.379 7.340 -2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 373 6.243 6.500 -3.719 1.00 0.00 H new ATOM 0 HE21 GLN A 373 5.609 9.480 -2.500 1.00 0.00 H new ATOM 0 HE22 GLN A 373 5.786 10.460 -3.959 1.00 0.00 H new ATOM 319 N ALA A 374 1.714 4.991 -2.229 1.00 0.00 N ATOM 320 CA ALA A 374 0.305 4.630 -2.176 1.00 0.00 C ATOM 321 C ALA A 374 -0.484 5.350 -3.262 1.00 0.00 C ATOM 322 O ALA A 374 -0.399 6.570 -3.398 1.00 0.00 O ATOM 323 CB ALA A 374 -0.270 4.948 -0.806 1.00 0.00 C ATOM 0 H ALA A 374 2.044 5.520 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 374 0.222 3.557 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 374 -1.324 4.673 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 374 0.270 4.385 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 374 -0.169 6.015 -0.608 1.00 0.00 H new ATOM 329 N ALA A 375 -1.259 4.589 -4.027 1.00 0.00 N ATOM 330 CA ALA A 375 -2.070 5.162 -5.093 1.00 0.00 C ATOM 331 C ALA A 375 -3.423 5.584 -4.560 1.00 0.00 C ATOM 332 O ALA A 375 -4.470 5.180 -5.065 1.00 0.00 O ATOM 333 CB ALA A 375 -2.218 4.184 -6.250 1.00 0.00 C ATOM 0 H ALA A 375 -1.342 3.577 -3.929 1.00 0.00 H new ATOM 0 HA ALA A 375 -1.562 6.049 -5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -2.828 4.636 -7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.233 3.943 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -2.699 3.272 -5.896 1.00 0.00 H new ATOM 339 N GLU A 376 -3.373 6.402 -3.528 1.00 0.00 N ATOM 340 CA GLU A 376 -4.570 6.913 -2.879 1.00 0.00 C ATOM 341 C GLU A 376 -5.438 7.710 -3.842 1.00 0.00 C ATOM 342 O GLU A 376 -5.338 8.934 -3.922 1.00 0.00 O ATOM 343 CB GLU A 376 -4.178 7.787 -1.693 1.00 0.00 C ATOM 344 CG GLU A 376 -3.005 8.703 -1.998 1.00 0.00 C ATOM 345 CD GLU A 376 -2.904 9.867 -1.035 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.860 10.668 -0.967 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.868 9.979 -0.349 1.00 0.00 O ATOM 0 H GLU A 376 -2.502 6.733 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 376 -5.154 6.059 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.035 8.390 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.924 7.149 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.081 8.126 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.103 9.085 -3.014 1.00 0.00 H new ATOM 354 N THR A 377 -6.304 7.002 -4.550 1.00 0.00 N ATOM 355 CA THR A 377 -7.215 7.624 -5.496 1.00 0.00 C ATOM 356 C THR A 377 -8.489 6.813 -5.607 1.00 0.00 C ATOM 357 O THR A 377 -8.458 5.582 -5.588 1.00 0.00 O ATOM 358 CB THR A 377 -6.600 7.766 -6.899 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.177 6.486 -7.384 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.422 8.730 -6.890 1.00 0.00 C ATOM 0 H THR A 377 -6.395 5.988 -4.486 1.00 0.00 H new ATOM 0 HA THR A 377 -7.427 8.622 -5.113 1.00 0.00 H new ATOM 0 HB THR A 377 -7.366 8.169 -7.562 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.549 6.086 -6.747 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.009 8.809 -7.896 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.758 9.712 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.654 8.360 -6.210 1.00 0.00 H new ATOM 368 N GLU A 378 -9.608 7.509 -5.719 1.00 0.00 N ATOM 369 CA GLU A 378 -10.898 6.850 -5.833 1.00 0.00 C ATOM 370 C GLU A 378 -10.887 5.884 -7.008 1.00 0.00 C ATOM 371 O GLU A 378 -11.482 4.810 -6.955 1.00 0.00 O ATOM 372 CB GLU A 378 -12.008 7.882 -6.020 1.00 0.00 C ATOM 373 CG GLU A 378 -13.402 7.278 -6.032 1.00 0.00 C ATOM 374 CD GLU A 378 -14.493 8.320 -6.202 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.159 9.519 -6.308 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.681 7.935 -6.229 1.00 0.00 O ATOM 0 H GLU A 378 -9.649 8.528 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.087 6.294 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.947 8.619 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.844 8.415 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.471 6.551 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.566 6.735 -5.101 1.00 0.00 H new ATOM 383 N GLY A 379 -10.203 6.291 -8.067 1.00 0.00 N ATOM 384 CA GLY A 379 -10.113 5.476 -9.261 1.00 0.00 C ATOM 385 C GLY A 379 -9.396 4.159 -9.045 1.00 0.00 C ATOM 386 O GLY A 379 -9.798 3.136 -9.601 1.00 0.00 O ATOM 0 H GLY A 379 -9.705 7.179 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.119 5.276 -9.631 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.594 6.039 -10.037 1.00 0.00 H new ATOM 390 N SER A 380 -8.329 4.172 -8.254 1.00 0.00 N ATOM 391 CA SER A 380 -7.566 2.955 -7.998 1.00 0.00 C ATOM 392 C SER A 380 -8.306 2.021 -7.045 1.00 0.00 C ATOM 393 O SER A 380 -8.381 0.812 -7.271 1.00 0.00 O ATOM 394 CB SER A 380 -6.196 3.300 -7.429 1.00 0.00 C ATOM 395 OG SER A 380 -5.447 4.088 -8.339 1.00 0.00 O ATOM 0 H SER A 380 -7.975 5.004 -7.782 1.00 0.00 H new ATOM 0 HA SER A 380 -7.441 2.437 -8.949 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.315 3.839 -6.489 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.651 2.383 -7.204 1.00 0.00 H new ATOM 0 HG SER A 380 -5.699 5.030 -8.240 1.00 0.00 H new ATOM 401 N CYS A 381 -8.839 2.592 -5.974 1.00 0.00 N ATOM 402 CA CYS A 381 -9.559 1.820 -4.965 1.00 0.00 C ATOM 403 C CYS A 381 -10.740 1.056 -5.555 1.00 0.00 C ATOM 404 O CYS A 381 -10.912 -0.133 -5.283 1.00 0.00 O ATOM 405 CB CYS A 381 -10.035 2.745 -3.849 1.00 0.00 C ATOM 406 SG CYS A 381 -8.684 3.486 -2.886 1.00 0.00 S ATOM 0 H CYS A 381 -8.787 3.592 -5.779 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.867 1.081 -4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.639 3.542 -4.283 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.683 2.184 -3.176 1.00 0.00 H new ATOM 411 N ASN A 382 -11.555 1.739 -6.350 1.00 0.00 N ATOM 412 CA ASN A 382 -12.724 1.113 -6.963 1.00 0.00 C ATOM 413 C ASN A 382 -12.335 -0.153 -7.714 1.00 0.00 C ATOM 414 O ASN A 382 -13.115 -1.103 -7.795 1.00 0.00 O ATOM 415 CB ASN A 382 -13.416 2.089 -7.918 1.00 0.00 C ATOM 416 CG ASN A 382 -13.890 3.354 -7.230 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.643 3.459 -5.928 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.474 4.234 -7.862 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.430 2.723 -6.586 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.415 0.844 -6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.727 2.354 -8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.269 1.593 -8.381 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.645 4.117 -8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.787 5.081 -7.387 1.00 0.00 H new ATOM 425 N LYS A 383 -11.128 -0.157 -8.266 1.00 0.00 N ATOM 426 CA LYS A 383 -10.637 -1.300 -9.019 1.00 0.00 C ATOM 427 C LYS A 383 -10.261 -2.450 -8.090 1.00 0.00 C ATOM 428 O LYS A 383 -10.501 -3.617 -8.401 1.00 0.00 O ATOM 429 CB LYS A 383 -9.430 -0.889 -9.863 1.00 0.00 C ATOM 430 CG LYS A 383 -9.688 0.337 -10.729 1.00 0.00 C ATOM 431 CD LYS A 383 -10.856 0.124 -11.684 1.00 0.00 C ATOM 432 CE LYS A 383 -10.591 -1.017 -12.655 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.744 -1.245 -13.571 1.00 0.00 N ATOM 0 H LYS A 383 -10.471 0.621 -8.205 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.435 -1.644 -9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.586 -0.688 -9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.142 -1.723 -10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.894 1.196 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.790 0.573 -11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.759 -0.088 -11.112 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.041 1.041 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -9.699 -0.795 -13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.386 -1.930 -12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.524 -2.030 -14.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.589 -1.482 -13.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.924 -0.382 -14.123 1.00 0.00 H new ATOM 447 N LYS A 384 -9.650 -2.113 -6.956 1.00 0.00 N ATOM 448 CA LYS A 384 -9.217 -3.101 -5.991 1.00 0.00 C ATOM 449 C LYS A 384 -10.357 -3.978 -5.500 1.00 0.00 C ATOM 450 O LYS A 384 -11.497 -3.873 -5.951 1.00 0.00 O ATOM 451 CB LYS A 384 -8.574 -2.401 -4.803 1.00 0.00 C ATOM 452 CG LYS A 384 -7.520 -1.390 -5.203 1.00 0.00 C ATOM 453 CD LYS A 384 -6.402 -2.028 -6.008 1.00 0.00 C ATOM 454 CE LYS A 384 -6.685 -1.996 -7.501 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.503 -2.422 -8.301 1.00 0.00 N ATOM 0 H LYS A 384 -9.445 -1.150 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.499 -3.750 -6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.348 -1.898 -4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.122 -3.148 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.982 -0.596 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.104 -0.925 -4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.466 -1.507 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.268 -3.061 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.529 -2.649 -7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.977 -0.987 -7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.738 -2.386 -9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.705 -1.784 -8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.240 -3.394 -8.041 1.00 0.00 H new ATOM 469 N ASP A 385 -10.017 -4.834 -4.552 1.00 0.00 N ATOM 470 CA ASP A 385 -10.969 -5.748 -3.941 1.00 0.00 C ATOM 471 C ASP A 385 -10.619 -5.939 -2.470 1.00 0.00 C ATOM 472 O ASP A 385 -9.987 -5.076 -1.867 1.00 0.00 O ATOM 473 CB ASP A 385 -10.952 -7.100 -4.661 1.00 0.00 C ATOM 474 CG ASP A 385 -11.422 -7.006 -6.100 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.742 -6.340 -6.908 1.00 0.00 O ATOM 476 OD2 ASP A 385 -12.475 -7.600 -6.419 1.00 0.00 O ATOM 0 H ASP A 385 -9.070 -4.916 -4.182 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.970 -5.324 -4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.940 -7.505 -4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.588 -7.802 -4.121 1.00 0.00 H new ATOM 481 N GLN A 386 -11.013 -7.066 -1.891 1.00 0.00 N ATOM 482 CA GLN A 386 -10.710 -7.331 -0.491 1.00 0.00 C ATOM 483 C GLN A 386 -9.203 -7.460 -0.294 1.00 0.00 C ATOM 484 O GLN A 386 -8.604 -6.732 0.498 1.00 0.00 O ATOM 485 CB GLN A 386 -11.416 -8.605 -0.022 1.00 0.00 C ATOM 486 CG GLN A 386 -11.262 -8.878 1.466 1.00 0.00 C ATOM 487 CD GLN A 386 -11.961 -10.152 1.897 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.658 -11.238 1.403 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.905 -10.026 2.823 1.00 0.00 N ATOM 0 H GLN A 386 -11.537 -7.803 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.072 -6.495 0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.477 -8.530 -0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.023 -9.454 -0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.202 -8.948 1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.665 -8.037 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.124 -9.106 3.206 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.410 -10.849 3.151 1.00 0.00 H new ATOM 498 N ASN A 387 -8.598 -8.384 -1.032 1.00 0.00 N ATOM 499 CA ASN A 387 -7.167 -8.617 -0.961 1.00 0.00 C ATOM 500 C ASN A 387 -6.381 -7.522 -1.673 1.00 0.00 C ATOM 501 O ASN A 387 -5.198 -7.695 -1.968 1.00 0.00 O ATOM 502 CB ASN A 387 -6.852 -9.960 -1.600 1.00 0.00 C ATOM 503 CG ASN A 387 -7.191 -11.132 -0.705 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.339 -11.308 -0.294 1.00 0.00 O ATOM 505 ND2 ASN A 387 -6.187 -11.944 -0.401 1.00 0.00 N ATOM 0 H ASN A 387 -9.086 -8.988 -1.693 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.872 -8.612 0.088 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.406 -10.051 -2.534 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -5.792 -9.997 -1.853 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.350 -12.754 0.197 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.252 -11.758 -0.765 1.00 0.00 H new ATOM 512 N GLU A 388 -7.036 -6.401 -1.956 1.00 0.00 N ATOM 513 CA GLU A 388 -6.378 -5.296 -2.644 1.00 0.00 C ATOM 514 C GLU A 388 -6.877 -3.957 -2.127 1.00 0.00 C ATOM 515 O GLU A 388 -6.423 -2.905 -2.577 1.00 0.00 O ATOM 516 CB GLU A 388 -6.608 -5.394 -4.154 1.00 0.00 C ATOM 517 CG GLU A 388 -6.199 -6.734 -4.745 1.00 0.00 C ATOM 518 CD GLU A 388 -6.291 -6.755 -6.258 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.610 -5.933 -6.907 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.045 -7.593 -6.795 1.00 0.00 O ATOM 0 H GLU A 388 -8.015 -6.234 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.309 -5.364 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.663 -5.220 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.049 -4.601 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.177 -6.963 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.836 -7.518 -4.335 1.00 0.00 H new ATOM 527 N CYS A 389 -7.797 -3.994 -1.169 1.00 0.00 N ATOM 528 CA CYS A 389 -8.319 -2.764 -0.599 1.00 0.00 C ATOM 529 C CYS A 389 -7.201 -2.075 0.174 1.00 0.00 C ATOM 530 O CYS A 389 -6.840 -2.491 1.276 1.00 0.00 O ATOM 531 CB CYS A 389 -9.524 -3.051 0.299 1.00 0.00 C ATOM 532 SG CYS A 389 -10.613 -1.612 0.543 1.00 0.00 S ATOM 0 H CYS A 389 -8.190 -4.850 -0.778 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.665 -2.104 -1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.104 -3.865 -0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.169 -3.396 1.270 1.00 0.00 H new ATOM 537 N LYS A 390 -6.625 -1.051 -0.443 1.00 0.00 N ATOM 538 CA LYS A 390 -5.504 -0.322 0.138 1.00 0.00 C ATOM 539 C LYS A 390 -5.909 0.532 1.337 1.00 0.00 C ATOM 540 O LYS A 390 -7.081 0.856 1.528 1.00 0.00 O ATOM 541 CB LYS A 390 -4.842 0.534 -0.934 1.00 0.00 C ATOM 542 CG LYS A 390 -4.406 -0.270 -2.154 1.00 0.00 C ATOM 543 CD LYS A 390 -3.733 0.611 -3.198 1.00 0.00 C ATOM 544 CE LYS A 390 -4.670 1.698 -3.706 1.00 0.00 C ATOM 545 NZ LYS A 390 -5.887 1.131 -4.347 1.00 0.00 N ATOM 0 H LYS A 390 -6.920 -0.704 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.793 -1.058 0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.536 1.313 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.973 1.034 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.719 -1.057 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -5.274 -0.760 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.843 1.070 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.402 -0.004 -4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -4.964 2.340 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -4.142 2.326 -4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -6.282 1.823 -5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -5.637 0.261 -4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -6.594 0.912 -3.617 1.00 0.00 H new ATOM 559 N SER A 391 -4.910 0.869 2.151 1.00 0.00 N ATOM 560 CA SER A 391 -5.106 1.664 3.362 1.00 0.00 C ATOM 561 C SER A 391 -5.873 2.968 3.108 1.00 0.00 C ATOM 562 O SER A 391 -6.799 3.286 3.853 1.00 0.00 O ATOM 563 CB SER A 391 -3.754 1.978 4.002 1.00 0.00 C ATOM 564 OG SER A 391 -3.916 2.696 5.212 1.00 0.00 O ATOM 0 H SER A 391 -3.940 0.598 1.989 1.00 0.00 H new ATOM 0 HA SER A 391 -5.715 1.063 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.216 1.050 4.196 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.147 2.560 3.309 1.00 0.00 H new ATOM 0 HG SER A 391 -3.043 2.813 5.642 1.00 0.00 H new ATOM 570 N PRO A 392 -5.523 3.745 2.060 1.00 0.00 N ATOM 571 CA PRO A 392 -6.217 4.995 1.755 1.00 0.00 C ATOM 572 C PRO A 392 -7.674 4.744 1.442 1.00 0.00 C ATOM 573 O PRO A 392 -8.543 5.570 1.717 1.00 0.00 O ATOM 574 CB PRO A 392 -5.498 5.516 0.507 1.00 0.00 C ATOM 575 CG PRO A 392 -4.187 4.836 0.509 1.00 0.00 C ATOM 576 CD PRO A 392 -4.458 3.482 1.079 1.00 0.00 C ATOM 0 HA PRO A 392 -6.196 5.695 2.591 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -6.061 5.286 -0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -5.381 6.599 0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -3.777 4.766 -0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.460 5.380 1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.780 2.778 0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.571 3.057 1.549 1.00 0.00 H new ATOM 584 N CYS A 393 -7.918 3.590 0.844 1.00 0.00 N ATOM 585 CA CYS A 393 -9.260 3.196 0.452 1.00 0.00 C ATOM 586 C CYS A 393 -10.166 3.003 1.665 1.00 0.00 C ATOM 587 O CYS A 393 -9.868 3.469 2.766 1.00 0.00 O ATOM 588 CB CYS A 393 -9.198 1.902 -0.357 1.00 0.00 C ATOM 589 SG CYS A 393 -8.022 1.950 -1.747 1.00 0.00 S ATOM 0 H CYS A 393 -7.197 2.905 0.618 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.682 3.995 -0.157 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.925 1.083 0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.193 1.680 -0.744 1.00 0.00 H new ATOM 594 N LYS A 394 -11.270 2.300 1.447 1.00 0.00 N ATOM 595 CA LYS A 394 -12.234 2.020 2.500 1.00 0.00 C ATOM 596 C LYS A 394 -13.088 0.819 2.114 1.00 0.00 C ATOM 597 O LYS A 394 -13.888 0.881 1.176 1.00 0.00 O ATOM 598 CB LYS A 394 -13.110 3.251 2.761 1.00 0.00 C ATOM 599 CG LYS A 394 -14.121 3.065 3.881 1.00 0.00 C ATOM 600 CD LYS A 394 -14.835 4.369 4.214 1.00 0.00 C ATOM 601 CE LYS A 394 -15.576 4.932 3.010 1.00 0.00 C ATOM 602 NZ LYS A 394 -16.274 6.206 3.333 1.00 0.00 N ATOM 0 H LYS A 394 -11.521 1.910 0.539 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.699 1.784 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.467 4.097 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.642 3.507 1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.854 2.313 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.615 2.689 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.540 4.200 5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.109 5.101 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.871 5.101 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -16.302 4.200 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.766 6.556 2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.965 6.040 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.579 6.913 3.647 1.00 0.00 H new ATOM 616 N TRP A 395 -12.884 -0.278 2.838 1.00 0.00 N ATOM 617 CA TRP A 395 -13.598 -1.522 2.583 1.00 0.00 C ATOM 618 C TRP A 395 -15.059 -1.428 3.011 1.00 0.00 C ATOM 619 O TRP A 395 -15.395 -0.726 3.965 1.00 0.00 O ATOM 620 CB TRP A 395 -12.911 -2.678 3.318 1.00 0.00 C ATOM 621 CG TRP A 395 -13.439 -4.029 2.939 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.921 -4.988 3.782 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.520 -4.577 1.618 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.306 -6.096 3.065 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.070 -5.867 1.735 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.186 -4.100 0.348 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.293 -6.684 0.630 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.406 -4.911 -0.748 1.00 0.00 C ATOM 629 CH2 TRP A 395 -13.955 -6.190 -0.601 1.00 0.00 C ATOM 0 H TRP A 395 -12.223 -0.328 3.613 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.576 -1.707 1.509 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.841 -2.644 3.111 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -13.033 -2.538 4.392 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.990 -4.891 4.855 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.703 -6.949 3.459 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.763 -3.114 0.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.717 -7.671 0.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.150 -4.553 -1.734 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.115 -6.800 -1.478 1.00 0.00 H new ATOM 640 N HIS A 396 -15.921 -2.151 2.302 1.00 0.00 N ATOM 641 CA HIS A 396 -17.347 -2.166 2.604 1.00 0.00 C ATOM 642 C HIS A 396 -17.901 -3.581 2.506 1.00 0.00 C ATOM 643 O HIS A 396 -17.921 -4.181 1.425 1.00 0.00 O ATOM 644 CB HIS A 396 -18.108 -1.243 1.652 1.00 0.00 C ATOM 645 CG HIS A 396 -17.763 0.203 1.818 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.970 0.894 2.993 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.225 1.093 0.949 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.576 2.145 2.841 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.119 2.290 1.611 1.00 0.00 N ATOM 0 H HIS A 396 -15.654 -2.737 1.511 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.480 -1.806 3.624 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.900 -1.542 0.625 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.178 -1.373 1.811 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.366 0.500 3.847 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.934 0.897 -0.073 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.620 2.918 3.594 1.00 0.00 H new ATOM 658 N ASN A 397 -18.345 -4.104 3.648 1.00 0.00 N ATOM 659 CA ASN A 397 -18.903 -5.450 3.730 1.00 0.00 C ATOM 660 C ASN A 397 -20.398 -5.449 3.423 1.00 0.00 C ATOM 661 O ASN A 397 -21.074 -4.434 3.586 1.00 0.00 O ATOM 662 CB ASN A 397 -18.653 -6.040 5.119 1.00 0.00 C ATOM 663 CG ASN A 397 -19.217 -7.440 5.268 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.838 -8.355 4.535 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.128 -7.616 6.218 1.00 0.00 N ATOM 0 H ASN A 397 -18.328 -3.607 4.539 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.405 -6.067 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.581 -6.062 5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -19.100 -5.390 5.872 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.542 -8.537 6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.413 -6.831 6.803 1.00 0.00 H new ATOM 672 N ASP A 398 -20.901 -6.598 2.976 1.00 0.00 N ATOM 673 CA ASP A 398 -22.314 -6.746 2.640 1.00 0.00 C ATOM 674 C ASP A 398 -22.704 -5.774 1.530 1.00 0.00 C ATOM 675 O ASP A 398 -23.833 -5.285 1.477 1.00 0.00 O ATOM 676 CB ASP A 398 -23.183 -6.516 3.881 1.00 0.00 C ATOM 677 CG ASP A 398 -24.640 -6.882 3.656 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.970 -7.362 2.551 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.447 -6.693 4.589 1.00 0.00 O ATOM 0 H ASP A 398 -20.347 -7.443 2.838 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.480 -7.762 2.282 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.789 -7.105 4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.118 -5.469 4.176 1.00 0.00 H new ATOM 684 N ALA A 399 -21.756 -5.506 0.641 1.00 0.00 N ATOM 685 CA ALA A 399 -21.985 -4.606 -0.480 1.00 0.00 C ATOM 686 C ALA A 399 -22.619 -5.351 -1.648 1.00 0.00 C ATOM 687 O ALA A 399 -22.552 -6.579 -1.715 1.00 0.00 O ATOM 688 CB ALA A 399 -20.677 -3.954 -0.907 1.00 0.00 C ATOM 0 H ALA A 399 -20.817 -5.902 0.676 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.675 -3.825 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.862 -3.283 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.264 -3.387 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.968 -4.725 -1.208 1.00 0.00 H new ATOM 694 N GLU A 400 -23.224 -4.607 -2.570 1.00 0.00 N ATOM 695 CA GLU A 400 -23.858 -5.205 -3.739 1.00 0.00 C ATOM 696 C GLU A 400 -22.889 -6.160 -4.427 1.00 0.00 C ATOM 697 O GLU A 400 -23.297 -7.116 -5.086 1.00 0.00 O ATOM 698 CB GLU A 400 -24.312 -4.116 -4.715 1.00 0.00 C ATOM 699 CG GLU A 400 -23.183 -3.213 -5.185 1.00 0.00 C ATOM 700 CD GLU A 400 -23.661 -2.127 -6.130 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.209 -2.469 -7.198 1.00 0.00 O ATOM 702 OE2 GLU A 400 -23.487 -0.935 -5.801 1.00 0.00 O ATOM 0 H GLU A 400 -23.288 -3.590 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.735 -5.766 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.775 -4.587 -5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.078 -3.507 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -22.706 -2.753 -4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -22.424 -3.816 -5.684 1.00 0.00 H new ATOM 709 N ASN A 401 -21.600 -5.888 -4.250 1.00 0.00 N ATOM 710 CA ASN A 401 -20.546 -6.707 -4.831 1.00 0.00 C ATOM 711 C ASN A 401 -19.190 -6.307 -4.258 1.00 0.00 C ATOM 712 O ASN A 401 -18.206 -6.188 -4.990 1.00 0.00 O ATOM 713 CB ASN A 401 -20.543 -6.566 -6.357 1.00 0.00 C ATOM 714 CG ASN A 401 -20.303 -5.140 -6.831 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.215 -4.195 -5.898 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.204 -4.888 -8.032 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.260 -5.098 -3.703 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.736 -7.750 -4.579 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -19.772 -7.214 -6.773 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.498 -6.915 -6.749 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.277 -5.639 -8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.049 -3.928 -8.341 1.00 0.00 H new ATOM 723 N LYS A 402 -19.158 -6.090 -2.941 1.00 0.00 N ATOM 724 CA LYS A 402 -17.938 -5.686 -2.245 1.00 0.00 C ATOM 725 C LYS A 402 -17.494 -4.303 -2.711 1.00 0.00 C ATOM 726 O LYS A 402 -17.394 -4.047 -3.910 1.00 0.00 O ATOM 727 CB LYS A 402 -16.818 -6.704 -2.481 1.00 0.00 C ATOM 728 CG LYS A 402 -17.137 -8.099 -1.962 1.00 0.00 C ATOM 729 CD LYS A 402 -17.344 -8.102 -0.455 1.00 0.00 C ATOM 730 CE LYS A 402 -17.609 -9.504 0.069 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.826 -10.106 -0.541 1.00 0.00 N ATOM 0 H LYS A 402 -19.971 -6.189 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.152 -5.647 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.612 -6.762 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -15.908 -6.347 -2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.034 -8.474 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.324 -8.778 -2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.462 -7.690 0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.182 -7.453 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -16.747 -10.138 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.725 -9.470 1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.087 -10.966 -0.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.609 -9.423 -0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.633 -10.350 -1.533 1.00 0.00 H new ATOM 745 N LYS A 403 -17.235 -3.404 -1.763 1.00 0.00 N ATOM 746 CA LYS A 403 -16.815 -2.051 -2.117 1.00 0.00 C ATOM 747 C LYS A 403 -15.524 -1.649 -1.411 1.00 0.00 C ATOM 748 O LYS A 403 -15.269 -2.046 -0.277 1.00 0.00 O ATOM 749 CB LYS A 403 -17.914 -1.037 -1.795 1.00 0.00 C ATOM 750 CG LYS A 403 -19.217 -1.284 -2.540 1.00 0.00 C ATOM 751 CD LYS A 403 -20.205 -0.143 -2.336 1.00 0.00 C ATOM 752 CE LYS A 403 -20.483 0.106 -0.861 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.467 1.205 -0.659 1.00 0.00 N ATOM 0 H LYS A 403 -17.307 -3.583 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.628 -2.051 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.110 -1.057 -0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.554 -0.037 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.012 -1.402 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.662 -2.217 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.810 0.766 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -21.139 -0.375 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.861 -0.808 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.551 0.355 -0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.629 1.343 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.096 2.084 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.365 0.957 -1.122 1.00 0.00 H new ATOM 767 N CYS A 404 -14.724 -0.841 -2.100 1.00 0.00 N ATOM 768 CA CYS A 404 -13.459 -0.349 -1.568 1.00 0.00 C ATOM 769 C CYS A 404 -13.211 1.068 -2.077 1.00 0.00 C ATOM 770 O CYS A 404 -12.357 1.290 -2.930 1.00 0.00 O ATOM 771 CB CYS A 404 -12.302 -1.264 -1.980 1.00 0.00 C ATOM 772 SG CYS A 404 -10.685 -0.761 -1.306 1.00 0.00 S ATOM 0 H CYS A 404 -14.935 -0.510 -3.041 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.516 -0.342 -0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.521 -2.280 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.240 -1.287 -3.068 1.00 0.00 H new ATOM 777 N THR A 405 -13.993 2.015 -1.567 1.00 0.00 N ATOM 778 CA THR A 405 -13.890 3.412 -1.988 1.00 0.00 C ATOM 779 C THR A 405 -12.745 4.145 -1.292 1.00 0.00 C ATOM 780 O THR A 405 -12.493 3.939 -0.106 1.00 0.00 O ATOM 781 CB THR A 405 -15.203 4.171 -1.724 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.488 4.185 -0.321 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.358 3.524 -2.474 1.00 0.00 C ATOM 0 H THR A 405 -14.707 1.841 -0.860 1.00 0.00 H new ATOM 0 HA THR A 405 -13.687 3.391 -3.059 1.00 0.00 H new ATOM 0 HB THR A 405 -15.084 5.195 -2.079 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.040 3.409 -0.092 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.276 4.076 -2.274 1.00 0.00 H new ATOM 0 HG22 THR A 405 -16.151 3.540 -3.544 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.475 2.492 -2.142 1.00 0.00 H new ATOM 791 N LEU A 406 -12.067 5.014 -2.040 1.00 0.00 N ATOM 792 CA LEU A 406 -10.960 5.795 -1.502 1.00 0.00 C ATOM 793 C LEU A 406 -11.477 6.831 -0.513 1.00 0.00 C ATOM 794 O LEU A 406 -12.543 7.416 -0.706 1.00 0.00 O ATOM 795 CB LEU A 406 -10.180 6.470 -2.636 1.00 0.00 C ATOM 796 CG LEU A 406 -8.879 7.182 -2.233 1.00 0.00 C ATOM 797 CD1 LEU A 406 -9.168 8.545 -1.626 1.00 0.00 C ATOM 798 CD2 LEU A 406 -8.067 6.329 -1.266 1.00 0.00 C ATOM 0 H LEU A 406 -12.268 5.194 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.282 5.123 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.940 5.714 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.834 7.197 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.289 7.330 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -8.230 9.027 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.693 9.164 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.789 8.424 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.152 6.856 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.654 6.139 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.814 5.381 -1.741 1.00 0.00 H new ATOM 810 N ASP A 407 -10.714 7.046 0.547 1.00 0.00 N ATOM 811 CA ASP A 407 -11.084 8.006 1.579 1.00 0.00 C ATOM 812 C ASP A 407 -9.990 9.057 1.747 1.00 0.00 C ATOM 813 O ASP A 407 -8.805 8.727 1.786 1.00 0.00 O ATOM 814 CB ASP A 407 -11.344 7.277 2.900 1.00 0.00 C ATOM 815 CG ASP A 407 -11.769 8.213 4.016 1.00 0.00 C ATOM 816 OD1 ASP A 407 -10.972 9.098 4.388 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.901 8.058 4.519 1.00 0.00 O ATOM 0 H ASP A 407 -9.830 6.567 0.717 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.999 8.516 1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.119 6.525 2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.440 6.747 3.201 1.00 0.00 H new ATOM 822 N LYS A 408 -10.394 10.322 1.827 1.00 0.00 N ATOM 823 CA LYS A 408 -9.445 11.422 1.969 1.00 0.00 C ATOM 824 C LYS A 408 -8.672 11.337 3.283 1.00 0.00 C ATOM 825 O LYS A 408 -7.444 11.387 3.287 1.00 0.00 O ATOM 826 CB LYS A 408 -10.171 12.766 1.892 1.00 0.00 C ATOM 827 CG LYS A 408 -10.958 12.968 0.605 1.00 0.00 C ATOM 828 CD LYS A 408 -10.053 13.036 -0.619 1.00 0.00 C ATOM 829 CE LYS A 408 -9.255 14.333 -0.669 1.00 0.00 C ATOM 830 NZ LYS A 408 -8.276 14.441 0.449 1.00 0.00 N ATOM 0 H LYS A 408 -11.372 10.611 1.796 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.733 11.342 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.851 12.850 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.440 13.569 1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.669 12.151 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.539 13.888 0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.367 12.189 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -10.657 12.947 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -8.725 14.394 -1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -9.940 15.180 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -7.421 14.929 0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -8.700 14.980 1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -8.023 13.489 0.782 1.00 0.00 H new ATOM 844 N GLU A 409 -9.397 11.217 4.393 1.00 0.00 N ATOM 845 CA GLU A 409 -8.772 11.139 5.711 1.00 0.00 C ATOM 846 C GLU A 409 -7.723 10.034 5.757 1.00 0.00 C ATOM 847 O GLU A 409 -6.583 10.263 6.164 1.00 0.00 O ATOM 848 CB GLU A 409 -9.834 10.895 6.786 1.00 0.00 C ATOM 849 CG GLU A 409 -10.879 11.998 6.879 1.00 0.00 C ATOM 850 CD GLU A 409 -10.293 13.332 7.304 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.447 13.875 6.564 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.683 13.833 8.380 1.00 0.00 O ATOM 0 H GLU A 409 -10.416 11.172 4.406 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.276 12.090 5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.335 9.949 6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.342 10.791 7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.366 12.113 5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.650 11.702 7.591 1.00 0.00 H new ATOM 859 N GLU A 410 -8.113 8.837 5.329 1.00 0.00 N ATOM 860 CA GLU A 410 -7.200 7.701 5.314 1.00 0.00 C ATOM 861 C GLU A 410 -6.027 7.983 4.385 1.00 0.00 C ATOM 862 O GLU A 410 -4.875 7.714 4.722 1.00 0.00 O ATOM 863 CB GLU A 410 -7.931 6.433 4.870 1.00 0.00 C ATOM 864 CG GLU A 410 -9.117 6.068 5.752 1.00 0.00 C ATOM 865 CD GLU A 410 -8.713 5.725 7.174 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.167 6.608 7.869 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.944 4.571 7.594 1.00 0.00 O ATOM 0 H GLU A 410 -9.052 8.630 4.989 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.821 7.547 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.279 6.565 3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.226 5.602 4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.819 6.901 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.641 5.219 5.314 1.00 0.00 H new ATOM 874 N ALA A 411 -6.332 8.535 3.215 1.00 0.00 N ATOM 875 CA ALA A 411 -5.310 8.869 2.232 1.00 0.00 C ATOM 876 C ALA A 411 -4.261 9.793 2.833 1.00 0.00 C ATOM 877 O ALA A 411 -3.070 9.663 2.551 1.00 0.00 O ATOM 878 CB ALA A 411 -5.946 9.514 1.009 1.00 0.00 C ATOM 0 H ALA A 411 -7.283 8.761 2.925 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.816 7.947 1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.171 9.759 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.658 8.821 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.465 10.425 1.307 1.00 0.00 H new ATOM 884 N LYS A 412 -4.710 10.721 3.668 1.00 0.00 N ATOM 885 CA LYS A 412 -3.812 11.664 4.320 1.00 0.00 C ATOM 886 C LYS A 412 -2.808 10.925 5.197 1.00 0.00 C ATOM 887 O LYS A 412 -1.603 11.161 5.113 1.00 0.00 O ATOM 888 CB LYS A 412 -4.613 12.657 5.162 1.00 0.00 C ATOM 889 CG LYS A 412 -5.555 13.528 4.346 1.00 0.00 C ATOM 890 CD LYS A 412 -6.433 14.395 5.235 1.00 0.00 C ATOM 891 CE LYS A 412 -5.609 15.364 6.070 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.798 16.282 5.220 1.00 0.00 N ATOM 0 H LYS A 412 -5.694 10.841 3.910 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.266 12.211 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.192 12.107 5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -3.921 13.298 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -4.975 14.164 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.184 12.896 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.136 14.954 4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.024 13.759 5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.273 15.950 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -4.948 14.803 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.428 17.059 5.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.005 15.756 4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.395 16.672 4.463 1.00 0.00 H new ATOM 906 N LYS A 413 -3.316 10.030 6.041 1.00 0.00 N ATOM 907 CA LYS A 413 -2.475 9.256 6.935 1.00 0.00 C ATOM 908 C LYS A 413 -1.463 8.420 6.156 1.00 0.00 C ATOM 909 O LYS A 413 -0.269 8.440 6.455 1.00 0.00 O ATOM 910 CB LYS A 413 -3.343 8.343 7.796 1.00 0.00 C ATOM 911 CG LYS A 413 -2.582 7.712 8.939 1.00 0.00 C ATOM 912 CD LYS A 413 -3.466 6.803 9.779 1.00 0.00 C ATOM 913 CE LYS A 413 -4.570 7.579 10.480 1.00 0.00 C ATOM 914 NZ LYS A 413 -5.427 6.692 11.315 1.00 0.00 N ATOM 0 H LYS A 413 -4.312 9.826 6.120 1.00 0.00 H new ATOM 0 HA LYS A 413 -1.925 9.950 7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.179 8.917 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.766 7.557 7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -1.744 7.138 8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -2.162 8.495 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -3.908 6.037 9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -2.856 6.288 10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -4.128 8.353 11.108 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -5.186 8.085 9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -6.167 7.258 11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -5.869 5.969 10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -4.844 6.228 12.040 1.00 0.00 H new ATOM 928 N VAL A 414 -1.949 7.687 5.158 1.00 0.00 N ATOM 929 CA VAL A 414 -1.088 6.843 4.337 1.00 0.00 C ATOM 930 C VAL A 414 -0.003 7.673 3.662 1.00 0.00 C ATOM 931 O VAL A 414 1.166 7.283 3.634 1.00 0.00 O ATOM 932 CB VAL A 414 -1.895 6.099 3.257 1.00 0.00 C ATOM 933 CG1 VAL A 414 -1.004 5.133 2.491 1.00 0.00 C ATOM 934 CG2 VAL A 414 -3.074 5.366 3.880 1.00 0.00 C ATOM 0 H VAL A 414 -2.935 7.661 4.899 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.628 6.111 5.002 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.284 6.834 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.594 4.618 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -0.197 5.686 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.582 4.402 3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.632 4.846 3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.709 4.642 4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.727 6.083 4.377 1.00 0.00 H new ATOM 944 N ALA A 415 -0.398 8.822 3.125 1.00 0.00 N ATOM 945 CA ALA A 415 0.533 9.718 2.455 1.00 0.00 C ATOM 946 C ALA A 415 1.620 10.180 3.412 1.00 0.00 C ATOM 947 O ALA A 415 2.777 10.337 3.027 1.00 0.00 O ATOM 948 CB ALA A 415 -0.204 10.920 1.886 1.00 0.00 C ATOM 0 H ALA A 415 -1.362 9.155 3.142 1.00 0.00 H new ATOM 0 HA ALA A 415 1.001 9.171 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.506 11.580 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.951 10.582 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.697 11.461 2.694 1.00 0.00 H new ATOM 954 N ASP A 416 1.235 10.396 4.665 1.00 0.00 N ATOM 955 CA ASP A 416 2.171 10.841 5.681 1.00 0.00 C ATOM 956 C ASP A 416 3.131 9.725 6.053 1.00 0.00 C ATOM 957 O ASP A 416 4.174 9.544 5.426 1.00 0.00 O ATOM 958 CB ASP A 416 1.417 11.342 6.918 1.00 0.00 C ATOM 959 CG ASP A 416 2.352 11.797 8.022 1.00 0.00 C ATOM 960 OD1 ASP A 416 3.144 12.733 7.781 1.00 0.00 O ATOM 961 OD2 ASP A 416 2.293 11.217 9.127 1.00 0.00 O ATOM 0 H ASP A 416 0.279 10.269 4.998 1.00 0.00 H new ATOM 0 HA ASP A 416 2.754 11.667 5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.767 12.169 6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.774 10.546 7.295 1.00 0.00 H new ATOM 966 N GLU A 417 2.752 8.984 7.071 1.00 0.00 N ATOM 967 CA GLU A 417 3.548 7.863 7.567 1.00 0.00 C ATOM 968 C GLU A 417 2.664 6.853 8.295 1.00 0.00 C ATOM 969 O GLU A 417 3.067 6.283 9.310 1.00 0.00 O ATOM 970 CB GLU A 417 4.647 8.355 8.518 1.00 0.00 C ATOM 971 CG GLU A 417 5.689 9.247 7.860 1.00 0.00 C ATOM 972 CD GLU A 417 6.758 9.708 8.831 1.00 0.00 C ATOM 973 OE1 GLU A 417 7.447 8.842 9.412 1.00 0.00 O ATOM 974 OE2 GLU A 417 6.909 10.935 9.009 1.00 0.00 O ATOM 0 H GLU A 417 1.884 9.135 7.584 1.00 0.00 H new ATOM 0 HA GLU A 417 4.011 7.379 6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 417 4.183 8.902 9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 417 5.148 7.491 8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 417 6.158 8.706 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 417 5.196 10.118 7.428 1.00 0.00 H new ATOM 981 N THR A 418 1.459 6.639 7.767 1.00 0.00 N ATOM 982 CA THR A 418 0.511 5.697 8.359 1.00 0.00 C ATOM 983 C THR A 418 0.394 5.899 9.868 1.00 0.00 C ATOM 984 O THR A 418 0.463 4.940 10.639 1.00 0.00 O ATOM 985 CB THR A 418 0.911 4.237 8.074 1.00 0.00 C ATOM 986 OG1 THR A 418 2.204 3.959 8.627 1.00 0.00 O ATOM 987 CG2 THR A 418 0.924 3.963 6.578 1.00 0.00 C ATOM 0 H THR A 418 1.116 7.107 6.928 1.00 0.00 H new ATOM 0 HA THR A 418 -0.456 5.896 7.896 1.00 0.00 H new ATOM 0 HB THR A 418 0.173 3.586 8.542 1.00 0.00 H new ATOM 0 HG1 THR A 418 2.456 4.676 9.245 1.00 0.00 H new ATOM 0 HG21 THR A 418 1.209 2.926 6.400 1.00 0.00 H new ATOM 0 HG22 THR A 418 -0.070 4.142 6.167 1.00 0.00 H new ATOM 0 HG23 THR A 418 1.642 4.625 6.093 1.00 0.00 H new ATOM 995 N ALA A 419 0.221 7.151 10.285 1.00 0.00 N ATOM 996 CA ALA A 419 0.102 7.472 11.703 1.00 0.00 C ATOM 997 C ALA A 419 -0.355 8.913 11.915 1.00 0.00 C ATOM 998 O ALA A 419 -0.987 9.224 12.924 1.00 0.00 O ATOM 999 CB ALA A 419 1.427 7.232 12.411 1.00 0.00 C ATOM 0 H ALA A 419 0.160 7.957 9.663 1.00 0.00 H new ATOM 0 HA ALA A 419 -0.656 6.815 12.130 1.00 0.00 H new ATOM 0 HB1 ALA A 419 1.324 7.476 13.468 1.00 0.00 H new ATOM 0 HB2 ALA A 419 1.711 6.185 12.306 1.00 0.00 H new ATOM 0 HB3 ALA A 419 2.197 7.863 11.967 1.00 0.00 H new ATOM 1005 N LYS A 420 -0.018 9.783 10.960 1.00 0.00 N ATOM 1006 CA LYS A 420 -0.376 11.203 11.022 1.00 0.00 C ATOM 1007 C LYS A 420 -0.151 11.777 12.419 1.00 0.00 C ATOM 1008 O LYS A 420 -0.977 12.530 12.935 1.00 0.00 O ATOM 1009 CB LYS A 420 -1.830 11.432 10.580 1.00 0.00 C ATOM 1010 CG LYS A 420 -2.869 10.750 11.457 1.00 0.00 C ATOM 1011 CD LYS A 420 -4.285 11.151 11.069 1.00 0.00 C ATOM 1012 CE LYS A 420 -4.541 12.626 11.338 1.00 0.00 C ATOM 1013 NZ LYS A 420 -5.932 13.024 10.988 1.00 0.00 N ATOM 0 H LYS A 420 0.508 9.525 10.125 1.00 0.00 H new ATOM 0 HA LYS A 420 0.281 11.729 10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -2.029 12.504 10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -1.946 11.076 9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -2.762 9.668 11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -2.691 11.009 12.501 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -4.447 10.939 10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -5.001 10.549 11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -4.357 12.840 12.391 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -3.837 13.227 10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -6.064 14.036 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -6.101 12.845 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -6.605 12.470 11.555 1.00 0.00 H new ATOM 1027 N ASP A 421 0.976 11.417 13.023 1.00 0.00 N ATOM 1028 CA ASP A 421 1.317 11.896 14.357 1.00 0.00 C ATOM 1029 C ASP A 421 1.436 13.418 14.376 1.00 0.00 C ATOM 1030 O ASP A 421 1.958 14.021 13.436 1.00 0.00 O ATOM 1031 CB ASP A 421 2.627 11.265 14.832 1.00 0.00 C ATOM 1032 CG ASP A 421 3.025 11.733 16.217 1.00 0.00 C ATOM 1033 OD1 ASP A 421 2.252 11.495 17.169 1.00 0.00 O ATOM 1034 OD2 ASP A 421 4.109 12.339 16.350 1.00 0.00 O ATOM 0 H ASP A 421 1.670 10.794 12.609 1.00 0.00 H new ATOM 0 HA ASP A 421 0.515 11.603 15.035 1.00 0.00 H new ATOM 0 HB2 ASP A 421 2.525 10.180 14.834 1.00 0.00 H new ATOM 0 HB3 ASP A 421 3.421 11.509 14.127 1.00 0.00 H new ATOM 1039 N GLY A 422 0.947 14.033 15.449 1.00 0.00 N ATOM 1040 CA GLY A 422 1.006 15.479 15.567 1.00 0.00 C ATOM 1041 C GLY A 422 0.583 15.970 16.939 1.00 0.00 C ATOM 1042 O GLY A 422 -0.366 15.450 17.526 1.00 0.00 O ATOM 0 H GLY A 422 0.511 13.556 16.238 1.00 0.00 H new ATOM 0 HA2 GLY A 422 2.022 15.815 15.362 1.00 0.00 H new ATOM 0 HA3 GLY A 422 0.363 15.928 14.810 1.00 0.00 H new ATOM 1046 N LYS A 423 1.292 16.977 17.447 1.00 0.00 N ATOM 1047 CA LYS A 423 0.993 17.550 18.758 1.00 0.00 C ATOM 1048 C LYS A 423 1.136 16.505 19.861 1.00 0.00 C ATOM 1049 O LYS A 423 0.291 16.404 20.750 1.00 0.00 O ATOM 1050 CB LYS A 423 -0.421 18.138 18.773 1.00 0.00 C ATOM 1051 CG LYS A 423 -0.649 19.206 17.714 1.00 0.00 C ATOM 1052 CD LYS A 423 -2.062 19.765 17.775 1.00 0.00 C ATOM 1053 CE LYS A 423 -2.337 20.454 19.104 1.00 0.00 C ATOM 1054 NZ LYS A 423 -3.718 21.007 19.170 1.00 0.00 N ATOM 0 H LYS A 423 2.080 17.414 16.969 1.00 0.00 H new ATOM 0 HA LYS A 423 1.712 18.347 18.947 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -1.141 17.333 18.626 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -0.617 18.566 19.756 1.00 0.00 H new ATOM 0 HG2 LYS A 423 0.069 20.015 17.852 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -0.467 18.784 16.726 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -2.209 20.474 16.960 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -2.780 18.958 17.628 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -2.192 19.743 19.918 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -1.617 21.259 19.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -3.864 21.468 20.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -3.849 21.704 18.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -4.407 20.236 19.056 1.00 0.00 H new ATOM 1068 N THR A 424 2.217 15.730 19.799 1.00 0.00 N ATOM 1069 CA THR A 424 2.474 14.696 20.794 1.00 0.00 C ATOM 1070 C THR A 424 2.749 15.313 22.162 1.00 0.00 C ATOM 1071 O THR A 424 2.217 14.862 23.177 1.00 0.00 O ATOM 1072 CB THR A 424 3.668 13.811 20.388 1.00 0.00 C ATOM 1073 OG1 THR A 424 3.415 13.196 19.119 1.00 0.00 O ATOM 1074 CG2 THR A 424 3.928 12.736 21.433 1.00 0.00 C ATOM 0 H THR A 424 2.927 15.800 19.070 1.00 0.00 H new ATOM 0 HA THR A 424 1.579 14.076 20.851 1.00 0.00 H new ATOM 0 HB THR A 424 4.551 14.446 20.315 1.00 0.00 H new ATOM 0 HG1 THR A 424 2.652 12.586 19.197 1.00 0.00 H new ATOM 0 HG21 THR A 424 4.776 12.125 21.123 1.00 0.00 H new ATOM 0 HG22 THR A 424 4.151 13.206 22.391 1.00 0.00 H new ATOM 0 HG23 THR A 424 3.044 12.106 21.535 1.00 0.00 H new ATOM 1082 N GLY A 425 3.585 16.347 22.178 1.00 0.00 N ATOM 1083 CA GLY A 425 3.922 17.014 23.423 1.00 0.00 C ATOM 1084 C GLY A 425 4.886 18.166 23.216 1.00 0.00 C ATOM 1085 O GLY A 425 4.706 18.976 22.305 1.00 0.00 O ATOM 0 H GLY A 425 4.036 16.735 21.349 1.00 0.00 H new ATOM 0 HA2 GLY A 425 3.011 17.385 23.892 1.00 0.00 H new ATOM 0 HA3 GLY A 425 4.363 16.293 24.111 1.00 0.00 H new ATOM 1089 N ASN A 426 5.910 18.240 24.059 1.00 0.00 N ATOM 1090 CA ASN A 426 6.907 19.300 23.961 1.00 0.00 C ATOM 1091 C ASN A 426 7.623 19.244 22.614 1.00 0.00 C ATOM 1092 O ASN A 426 8.086 18.183 22.192 1.00 0.00 O ATOM 1093 CB ASN A 426 7.924 19.176 25.099 1.00 0.00 C ATOM 1094 CG ASN A 426 7.271 19.230 26.466 1.00 0.00 C ATOM 1095 OD1 ASN A 426 6.628 20.217 26.822 1.00 0.00 O ATOM 1096 ND2 ASN A 426 7.436 18.166 27.242 1.00 0.00 N ATOM 0 H ASN A 426 6.072 17.578 24.818 1.00 0.00 H new ATOM 0 HA ASN A 426 6.396 20.259 24.043 1.00 0.00 H new ATOM 0 HB2 ASN A 426 8.468 18.237 24.996 1.00 0.00 H new ATOM 0 HB3 ASN A 426 8.656 19.979 25.017 1.00 0.00 H new ATOM 0 HD21 ASN A 426 7.022 18.145 28.174 1.00 0.00 H new ATOM 0 HD22 ASN A 426 7.977 17.369 26.906 1.00 0.00 H new ATOM 1103 N THR A 427 7.710 20.391 21.944 1.00 0.00 N ATOM 1104 CA THR A 427 8.369 20.471 20.644 1.00 0.00 C ATOM 1105 C THR A 427 8.446 21.911 20.145 1.00 0.00 C ATOM 1106 O THR A 427 7.497 22.682 20.286 1.00 0.00 O ATOM 1107 CB THR A 427 7.641 19.615 19.589 1.00 0.00 C ATOM 1108 OG1 THR A 427 8.290 19.744 18.317 1.00 0.00 O ATOM 1109 CG2 THR A 427 6.182 20.030 19.463 1.00 0.00 C ATOM 0 H THR A 427 7.332 21.277 22.280 1.00 0.00 H new ATOM 0 HA THR A 427 9.379 20.085 20.784 1.00 0.00 H new ATOM 0 HB THR A 427 7.679 18.575 19.912 1.00 0.00 H new ATOM 0 HG1 THR A 427 7.822 19.195 17.654 1.00 0.00 H new ATOM 0 HG21 THR A 427 5.691 19.411 18.712 1.00 0.00 H new ATOM 0 HG22 THR A 427 5.683 19.901 20.423 1.00 0.00 H new ATOM 0 HG23 THR A 427 6.126 21.076 19.163 1.00 0.00 H new ATOM 1117 N ASN A 428 9.588 22.261 19.557 1.00 0.00 N ATOM 1118 CA ASN A 428 9.813 23.598 19.023 1.00 0.00 C ATOM 1119 C ASN A 428 11.182 23.676 18.356 1.00 0.00 C ATOM 1120 O ASN A 428 11.320 24.210 17.256 1.00 0.00 O ATOM 1121 CB ASN A 428 9.708 24.651 20.131 1.00 0.00 C ATOM 1122 CG ASN A 428 9.905 26.061 19.607 1.00 0.00 C ATOM 1123 OD1 ASN A 428 9.151 26.531 18.754 1.00 0.00 O ATOM 1124 ND2 ASN A 428 10.922 26.746 20.117 1.00 0.00 N ATOM 0 H ASN A 428 10.379 21.628 19.439 1.00 0.00 H new ATOM 0 HA ASN A 428 9.043 23.802 18.279 1.00 0.00 H new ATOM 0 HB2 ASN A 428 8.731 24.577 20.608 1.00 0.00 H new ATOM 0 HB3 ASN A 428 10.454 24.443 20.898 1.00 0.00 H new ATOM 0 HD21 ASN A 428 11.103 27.700 19.804 1.00 0.00 H new ATOM 0 HD22 ASN A 428 11.522 26.318 20.822 1.00 0.00 H new ATOM 1131 N THR A 429 12.188 23.127 19.030 1.00 0.00 N ATOM 1132 CA THR A 429 13.549 23.118 18.507 1.00 0.00 C ATOM 1133 C THR A 429 14.364 21.989 19.130 1.00 0.00 C ATOM 1134 O THR A 429 14.404 21.840 20.352 1.00 0.00 O ATOM 1135 CB THR A 429 14.262 24.461 18.760 1.00 0.00 C ATOM 1136 OG1 THR A 429 15.614 24.393 18.292 1.00 0.00 O ATOM 1137 CG2 THR A 429 14.249 24.817 20.240 1.00 0.00 C ATOM 0 H THR A 429 12.085 22.682 19.942 1.00 0.00 H new ATOM 0 HA THR A 429 13.476 22.959 17.431 1.00 0.00 H new ATOM 0 HB THR A 429 13.726 25.237 18.214 1.00 0.00 H new ATOM 0 HG1 THR A 429 16.060 25.250 18.455 1.00 0.00 H new ATOM 0 HG21 THR A 429 14.759 25.769 20.390 1.00 0.00 H new ATOM 0 HG22 THR A 429 13.218 24.899 20.586 1.00 0.00 H new ATOM 0 HG23 THR A 429 14.761 24.039 20.806 1.00 0.00 H new ATOM 1145 N THR A 430 15.011 21.195 18.281 1.00 0.00 N ATOM 1146 CA THR A 430 15.825 20.076 18.744 1.00 0.00 C ATOM 1147 C THR A 430 15.002 19.141 19.633 1.00 0.00 C ATOM 1148 O THR A 430 15.415 18.785 20.738 1.00 0.00 O ATOM 1149 CB THR A 430 17.068 20.568 19.516 1.00 0.00 C ATOM 1150 OG1 THR A 430 17.743 21.578 18.756 1.00 0.00 O ATOM 1151 CG2 THR A 430 18.030 19.420 19.792 1.00 0.00 C ATOM 0 H THR A 430 14.987 21.306 17.267 1.00 0.00 H new ATOM 0 HA THR A 430 16.160 19.529 17.863 1.00 0.00 H new ATOM 0 HB THR A 430 16.734 20.980 20.468 1.00 0.00 H new ATOM 0 HG1 THR A 430 18.530 21.888 19.251 1.00 0.00 H new ATOM 0 HG21 THR A 430 18.897 19.794 20.337 1.00 0.00 H new ATOM 0 HG22 THR A 430 17.527 18.659 20.389 1.00 0.00 H new ATOM 0 HG23 THR A 430 18.356 18.983 18.848 1.00 0.00 H new ATOM 1159 N GLY A 431 13.827 18.754 19.143 1.00 0.00 N ATOM 1160 CA GLY A 431 12.959 17.872 19.900 1.00 0.00 C ATOM 1161 C GLY A 431 11.699 17.510 19.136 1.00 0.00 C ATOM 1162 O GLY A 431 10.601 17.526 19.692 1.00 0.00 O ATOM 0 H GLY A 431 13.461 19.037 18.234 1.00 0.00 H new ATOM 0 HA2 GLY A 431 13.502 16.961 20.154 1.00 0.00 H new ATOM 0 HA3 GLY A 431 12.686 18.353 20.840 1.00 0.00 H new ATOM 1166 N SER A 432 11.863 17.185 17.856 1.00 0.00 N ATOM 1167 CA SER A 432 10.736 16.818 17.007 1.00 0.00 C ATOM 1168 C SER A 432 10.013 15.595 17.558 1.00 0.00 C ATOM 1169 O SER A 432 10.645 14.633 17.997 1.00 0.00 O ATOM 1170 CB SER A 432 11.214 16.543 15.579 1.00 0.00 C ATOM 1171 OG SER A 432 11.823 17.691 15.015 1.00 0.00 O ATOM 0 H SER A 432 12.767 17.169 17.385 1.00 0.00 H new ATOM 0 HA SER A 432 10.037 17.654 16.994 1.00 0.00 H new ATOM 0 HB2 SER A 432 11.924 15.716 15.583 1.00 0.00 H new ATOM 0 HB3 SER A 432 10.369 16.236 14.962 1.00 0.00 H new ATOM 0 HG SER A 432 12.121 17.489 14.104 1.00 0.00 H new ATOM 1177 N SER A 433 8.684 15.641 17.535 1.00 0.00 N ATOM 1178 CA SER A 433 7.869 14.538 18.033 1.00 0.00 C ATOM 1179 C SER A 433 8.198 13.241 17.300 1.00 0.00 C ATOM 1180 O SER A 433 7.918 13.161 16.085 1.00 0.00 O ATOM 1181 CB SER A 433 6.383 14.864 17.869 1.00 0.00 C ATOM 1182 OG SER A 433 6.036 16.039 18.581 1.00 0.00 O ATOM 1183 OXT SER A 433 8.735 12.317 17.948 1.00 0.00 O ATOM 0 H SER A 433 8.148 16.431 17.176 1.00 0.00 H new ATOM 0 HA SER A 433 8.093 14.403 19.091 1.00 0.00 H new ATOM 0 HB2 SER A 433 6.151 14.994 16.812 1.00 0.00 H new ATOM 0 HB3 SER A 433 5.783 14.028 18.227 1.00 0.00 H new ATOM 0 HG SER A 433 5.082 16.226 18.458 1.00 0.00 H new TER 1189 SER A 433