USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=25 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 -160:sc= 0.00237 USER MOD Set 1.2: A 432 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 396 HIS : no HD1:sc= 0.429 K(o=0.83,f=-3) USER MOD Set 2.2: A 405 THR OG1 : rot 156:sc= 0.399 USER MOD Set 3.1: A 377 THR OG1 : rot -16:sc= -0.0143 USER MOD Set 3.2: A 380 SER OG : rot -25:sc= 0.0731! USER MOD Single : A 355 SER OG : rot 180:sc= 0.302 USER MOD Single : A 356 HIS : no HE2:sc= -0.906 K(o=-0.91,f=-2.6) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot 180:sc= -0.752 USER MOD Single : A 363 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 LYS NZ :NH3+ -135:sc= -3.44! (180deg=-6.34!) USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 370 SER OG : rot -60:sc= -0.0707 USER MOD Single : A 371 GLN : amide:sc= -2.61 K(o=-2.6,f=-4.1!) USER MOD Single : A 372 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 373 GLN : amide:sc= -5.24! C(o=-5.2!,f=-8.8!) USER MOD Single : A 382 ASN : amide:sc= -4.31! K(o=-4.3!,f=-0.87) USER MOD Single : A 383 LYS NZ :NH3+ 154:sc= -3.46! (180deg=-5.46!) 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) USER MOD Single : A 390 LYS NZ :NH3+ -128:sc= 0.109 (180deg=-0.249) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.34) USER MOD Single : A 401 ASN : amide:sc= -0.484 K(o=-0.48,f=0.35) USER MOD Single : A 402 LYS NZ :NH3+ -165:sc= -0.0732 (180deg=-0.372) USER MOD Single : A 403 LYS NZ :NH3+ -115:sc= -4.33! (180deg=-8.03!) USER MOD Single : A 408 LYS NZ :NH3+ -167:sc= -0.0399 (180deg=-0.251) USER MOD Single : A 412 LYS NZ :NH3+ 146:sc= -3.29! (180deg=-5.83!) USER MOD Single : A 413 LYS NZ :NH3+ 166:sc= -0.0318 (180deg=-0.229) USER MOD Single : A 418 THR OG1 : rot 12:sc= 0.798 USER MOD Single : A 420 LYS NZ :NH3+ 132:sc= 0.0259 (180deg=-0.256) USER MOD Single : A 423 LYS NZ :NH3+ -134:sc= -2.81! (180deg=-5.66!) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -2.15! C(o=-2.2!,f=-4.2!) 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 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 8.356 -9.981 -16.048 1.00 0.00 N ATOM 2 CA GLY A 354 8.049 -10.940 -14.952 1.00 0.00 C ATOM 3 C GLY A 354 9.264 -11.734 -14.518 1.00 0.00 C ATOM 4 O GLY A 354 10.010 -12.245 -15.355 1.00 0.00 O ATOM 0 HA2 GLY A 354 7.651 -10.394 -14.097 1.00 0.00 H new ATOM 0 HA3 GLY A 354 7.269 -11.627 -15.282 1.00 0.00 H new ATOM 10 N SER A 355 9.462 -11.840 -13.207 1.00 0.00 N ATOM 11 CA SER A 355 10.595 -12.579 -12.658 1.00 0.00 C ATOM 12 C SER A 355 10.472 -12.695 -11.136 1.00 0.00 C ATOM 13 O SER A 355 9.381 -12.923 -10.614 1.00 0.00 O ATOM 14 CB SER A 355 11.907 -11.885 -13.042 1.00 0.00 C ATOM 15 OG SER A 355 13.031 -12.661 -12.662 1.00 0.00 O ATOM 0 H SER A 355 8.852 -11.423 -12.504 1.00 0.00 H new ATOM 0 HA SER A 355 10.596 -13.585 -13.077 1.00 0.00 H new ATOM 0 HB2 SER A 355 11.928 -11.713 -14.118 1.00 0.00 H new ATOM 0 HB3 SER A 355 11.958 -10.908 -12.562 1.00 0.00 H new ATOM 0 HG SER A 355 13.853 -12.195 -12.921 1.00 0.00 H new ATOM 21 N HIS A 356 11.588 -12.536 -10.427 1.00 0.00 N ATOM 22 CA HIS A 356 11.589 -12.623 -8.971 1.00 0.00 C ATOM 23 C HIS A 356 10.767 -11.493 -8.359 1.00 0.00 C ATOM 24 O HIS A 356 10.702 -10.394 -8.910 1.00 0.00 O ATOM 25 CB HIS A 356 13.022 -12.588 -8.435 1.00 0.00 C ATOM 26 CG HIS A 356 13.800 -11.388 -8.873 1.00 0.00 C ATOM 27 ND1 HIS A 356 13.418 -10.094 -8.585 1.00 0.00 N ATOM 28 CD2 HIS A 356 14.951 -11.289 -9.582 1.00 0.00 C ATOM 29 CE1 HIS A 356 14.299 -9.252 -9.099 1.00 0.00 C ATOM 30 NE2 HIS A 356 15.239 -9.953 -9.707 1.00 0.00 N ATOM 0 H HIS A 356 12.502 -12.346 -10.838 1.00 0.00 H new ATOM 0 HA HIS A 356 11.132 -13.571 -8.687 1.00 0.00 H new ATOM 0 HB2 HIS A 356 12.993 -12.613 -7.346 1.00 0.00 H new ATOM 0 HB3 HIS A 356 13.544 -13.487 -8.761 1.00 0.00 H new ATOM 0 HD1 HIS A 356 12.586 -9.828 -8.058 1.00 0.00 H new ATOM 0 HD2 HIS A 356 15.533 -12.109 -9.975 1.00 0.00 H new ATOM 0 HE1 HIS A 356 14.257 -8.175 -9.033 1.00 0.00 H new ATOM 39 N MET A 357 10.136 -11.775 -7.221 1.00 0.00 N ATOM 40 CA MET A 357 9.312 -10.785 -6.533 1.00 0.00 C ATOM 41 C MET A 357 10.077 -9.478 -6.338 1.00 0.00 C ATOM 42 O MET A 357 11.230 -9.481 -5.910 1.00 0.00 O ATOM 43 CB MET A 357 8.849 -11.327 -5.180 1.00 0.00 C ATOM 44 CG MET A 357 8.028 -12.603 -5.282 1.00 0.00 C ATOM 45 SD MET A 357 7.494 -13.217 -3.673 1.00 0.00 S ATOM 46 CE MET A 357 6.577 -14.680 -4.154 1.00 0.00 C ATOM 0 H MET A 357 10.180 -12.682 -6.756 1.00 0.00 H new ATOM 0 HA MET A 357 8.439 -10.583 -7.153 1.00 0.00 H new ATOM 0 HB2 MET A 357 9.722 -11.516 -4.556 1.00 0.00 H new ATOM 0 HB3 MET A 357 8.257 -10.563 -4.676 1.00 0.00 H new ATOM 0 HG2 MET A 357 7.153 -12.418 -5.905 1.00 0.00 H new ATOM 0 HG3 MET A 357 8.618 -13.371 -5.782 1.00 0.00 H new ATOM 0 HE1 MET A 357 6.183 -15.171 -3.264 1.00 0.00 H new ATOM 0 HE2 MET A 357 5.752 -14.394 -4.807 1.00 0.00 H new ATOM 0 HE3 MET A 357 7.238 -15.366 -4.684 1.00 0.00 H new ATOM 56 N LEU A 358 9.425 -8.367 -6.665 1.00 0.00 N ATOM 57 CA LEU A 358 10.037 -7.049 -6.539 1.00 0.00 C ATOM 58 C LEU A 358 10.363 -6.723 -5.087 1.00 0.00 C ATOM 59 O LEU A 358 11.400 -6.132 -4.790 1.00 0.00 O ATOM 60 CB LEU A 358 9.113 -5.978 -7.125 1.00 0.00 C ATOM 61 CG LEU A 358 8.760 -6.166 -8.602 1.00 0.00 C ATOM 62 CD1 LEU A 358 7.792 -5.087 -9.061 1.00 0.00 C ATOM 63 CD2 LEU A 358 10.018 -6.152 -9.460 1.00 0.00 C ATOM 0 H LEU A 358 8.469 -8.354 -7.021 1.00 0.00 H new ATOM 0 HA LEU A 358 10.972 -7.060 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 358 8.190 -5.960 -6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 358 9.586 -5.004 -7.001 1.00 0.00 H new ATOM 0 HG LEU A 358 8.276 -7.136 -8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 358 7.552 -5.237 -10.114 1.00 0.00 H new ATOM 0 HD12 LEU A 358 6.878 -5.142 -8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 358 8.250 -4.107 -8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 358 9.746 -6.287 -10.507 1.00 0.00 H new ATOM 0 HD22 LEU A 358 10.531 -5.198 -9.339 1.00 0.00 H new ATOM 0 HD23 LEU A 358 10.679 -6.961 -9.150 1.00 0.00 H new ATOM 75 N GLU A 359 9.466 -7.108 -4.191 1.00 0.00 N ATOM 76 CA GLU A 359 9.650 -6.856 -2.765 1.00 0.00 C ATOM 77 C GLU A 359 10.947 -7.482 -2.260 1.00 0.00 C ATOM 78 O GLU A 359 11.182 -8.676 -2.441 1.00 0.00 O ATOM 79 CB GLU A 359 8.465 -7.408 -1.970 1.00 0.00 C ATOM 80 CG GLU A 359 7.130 -6.800 -2.368 1.00 0.00 C ATOM 81 CD GLU A 359 5.972 -7.368 -1.570 1.00 0.00 C ATOM 82 OE1 GLU A 359 5.748 -8.595 -1.641 1.00 0.00 O ATOM 83 OE2 GLU A 359 5.292 -6.586 -0.874 1.00 0.00 O ATOM 0 H GLU A 359 8.602 -7.597 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 359 9.708 -5.777 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 359 8.418 -8.488 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 359 8.635 -7.228 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 359 7.170 -5.720 -2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 359 6.956 -6.976 -3.430 1.00 0.00 H new ATOM 90 N VAL A 360 11.784 -6.664 -1.626 1.00 0.00 N ATOM 91 CA VAL A 360 13.058 -7.134 -1.094 1.00 0.00 C ATOM 92 C VAL A 360 12.873 -7.846 0.242 1.00 0.00 C ATOM 93 O VAL A 360 12.135 -7.380 1.110 1.00 0.00 O ATOM 94 CB VAL A 360 14.057 -5.974 -0.915 1.00 0.00 C ATOM 95 CG1 VAL A 360 14.413 -5.364 -2.262 1.00 0.00 C ATOM 96 CG2 VAL A 360 13.492 -4.917 0.023 1.00 0.00 C ATOM 0 H VAL A 360 11.602 -5.673 -1.469 1.00 0.00 H new ATOM 0 HA VAL A 360 13.460 -7.839 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 360 14.968 -6.372 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 360 15.119 -4.547 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 360 14.865 -6.125 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 360 13.510 -4.983 -2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 360 14.213 -4.107 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 360 12.564 -4.522 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 360 13.293 -5.364 0.997 1.00 0.00 H new ATOM 106 N LEU A 361 13.548 -8.980 0.399 1.00 0.00 N ATOM 107 CA LEU A 361 13.460 -9.757 1.630 1.00 0.00 C ATOM 108 C LEU A 361 14.306 -9.131 2.735 1.00 0.00 C ATOM 109 O LEU A 361 15.480 -8.824 2.529 1.00 0.00 O ATOM 110 CB LEU A 361 13.911 -11.197 1.379 1.00 0.00 C ATOM 111 CG LEU A 361 13.094 -11.958 0.332 1.00 0.00 C ATOM 112 CD1 LEU A 361 13.667 -13.350 0.118 1.00 0.00 C ATOM 113 CD2 LEU A 361 11.634 -12.041 0.750 1.00 0.00 C ATOM 0 H LEU A 361 14.162 -9.381 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 361 12.420 -9.759 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 361 14.955 -11.185 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 361 13.867 -11.745 2.320 1.00 0.00 H new ATOM 0 HG LEU A 361 13.151 -11.413 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 361 13.074 -13.877 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 361 14.698 -13.270 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 361 13.641 -13.903 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 361 11.069 -12.585 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 361 11.558 -12.562 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 361 11.227 -11.035 0.852 1.00 0.00 H new ATOM 125 N THR A 362 13.701 -8.952 3.907 1.00 0.00 N ATOM 126 CA THR A 362 14.393 -8.369 5.053 1.00 0.00 C ATOM 127 C THR A 362 13.485 -8.330 6.279 1.00 0.00 C ATOM 128 O THR A 362 12.309 -7.977 6.182 1.00 0.00 O ATOM 129 CB THR A 362 14.894 -6.944 4.748 1.00 0.00 C ATOM 130 OG1 THR A 362 15.515 -6.382 5.910 1.00 0.00 O ATOM 131 CG2 THR A 362 13.749 -6.051 4.294 1.00 0.00 C ATOM 0 H THR A 362 12.729 -9.204 4.088 1.00 0.00 H new ATOM 0 HA THR A 362 15.253 -9.006 5.260 1.00 0.00 H new ATOM 0 HB THR A 362 15.625 -7.006 3.942 1.00 0.00 H new ATOM 0 HG1 THR A 362 15.832 -5.477 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 362 14.129 -5.051 4.085 1.00 0.00 H new ATOM 0 HG22 THR A 362 13.301 -6.465 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 362 12.996 -5.996 5.080 1.00 0.00 H new ATOM 139 N GLN A 363 14.036 -8.707 7.430 1.00 0.00 N ATOM 140 CA GLN A 363 13.274 -8.726 8.676 1.00 0.00 C ATOM 141 C GLN A 363 13.183 -7.339 9.310 1.00 0.00 C ATOM 142 O GLN A 363 13.421 -7.183 10.508 1.00 0.00 O ATOM 143 CB GLN A 363 13.902 -9.710 9.667 1.00 0.00 C ATOM 144 CG GLN A 363 13.891 -11.152 9.186 1.00 0.00 C ATOM 145 CD GLN A 363 14.483 -12.109 10.202 1.00 0.00 C ATOM 146 OE1 GLN A 363 14.002 -12.211 11.331 1.00 0.00 O ATOM 147 NE2 GLN A 363 15.532 -12.820 9.806 1.00 0.00 N ATOM 0 H GLN A 363 15.007 -9.003 7.526 1.00 0.00 H new ATOM 0 HA GLN A 363 12.262 -9.049 8.433 1.00 0.00 H new ATOM 0 HB2 GLN A 363 14.931 -9.409 9.861 1.00 0.00 H new ATOM 0 HB3 GLN A 363 13.367 -9.648 10.615 1.00 0.00 H new ATOM 0 HG2 GLN A 363 12.866 -11.450 8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 363 14.451 -11.225 8.254 1.00 0.00 H new ATOM 0 HE21 GLN A 363 15.899 -12.705 8.861 1.00 0.00 H new ATOM 0 HE22 GLN A 363 15.971 -13.482 10.446 1.00 0.00 H new ATOM 156 N LYS A 364 12.826 -6.335 8.510 1.00 0.00 N ATOM 157 CA LYS A 364 12.693 -4.971 9.016 1.00 0.00 C ATOM 158 C LYS A 364 11.514 -4.870 9.979 1.00 0.00 C ATOM 159 O LYS A 364 10.422 -4.448 9.596 1.00 0.00 O ATOM 160 CB LYS A 364 12.503 -3.983 7.861 1.00 0.00 C ATOM 161 CG LYS A 364 13.723 -3.843 6.965 1.00 0.00 C ATOM 162 CD LYS A 364 13.481 -2.868 5.818 1.00 0.00 C ATOM 163 CE LYS A 364 13.270 -1.440 6.310 1.00 0.00 C ATOM 164 NZ LYS A 364 11.976 -1.276 7.029 1.00 0.00 N ATOM 0 H LYS A 364 12.625 -6.440 7.515 1.00 0.00 H new ATOM 0 HA LYS A 364 13.609 -4.718 9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 364 11.655 -4.304 7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 364 12.250 -3.005 8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 364 14.571 -3.501 7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 364 13.990 -4.819 6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 364 14.331 -2.894 5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 364 12.607 -3.188 5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 364 14.089 -1.161 6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 364 13.301 -0.757 5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 11.505 -0.408 6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 11.365 -2.095 6.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 12.153 -1.211 8.052 1.00 0.00 H new ATOM 178 N HIS A 365 11.741 -5.270 11.228 1.00 0.00 N ATOM 179 CA HIS A 365 10.700 -5.240 12.250 1.00 0.00 C ATOM 180 C HIS A 365 9.485 -6.048 11.803 1.00 0.00 C ATOM 181 O HIS A 365 8.404 -5.936 12.381 1.00 0.00 O ATOM 182 CB HIS A 365 10.287 -3.797 12.549 1.00 0.00 C ATOM 183 CG HIS A 365 11.418 -2.935 13.020 1.00 0.00 C ATOM 184 ND1 HIS A 365 12.140 -3.200 14.166 1.00 0.00 N ATOM 185 CD2 HIS A 365 11.951 -1.805 12.495 1.00 0.00 C ATOM 186 CE1 HIS A 365 13.067 -2.271 14.323 1.00 0.00 C ATOM 187 NE2 HIS A 365 12.975 -1.416 13.324 1.00 0.00 N ATOM 0 H HIS A 365 12.641 -5.620 11.557 1.00 0.00 H new ATOM 0 HA HIS A 365 11.102 -5.688 13.159 1.00 0.00 H new ATOM 0 HB2 HIS A 365 9.856 -3.357 11.649 1.00 0.00 H new ATOM 0 HB3 HIS A 365 9.504 -3.802 13.308 1.00 0.00 H new ATOM 0 HD2 HIS A 365 11.631 -1.304 11.593 1.00 0.00 H new ATOM 0 HE1 HIS A 365 13.780 -2.221 15.133 1.00 0.00 H new ATOM 0 HE2 HIS A 365 13.568 -0.598 13.188 1.00 0.00 H new ATOM 196 N LYS A 366 9.679 -6.867 10.769 1.00 0.00 N ATOM 197 CA LYS A 366 8.613 -7.705 10.221 1.00 0.00 C ATOM 198 C LYS A 366 9.211 -8.918 9.507 1.00 0.00 C ATOM 199 O LYS A 366 10.037 -8.765 8.607 1.00 0.00 O ATOM 200 CB LYS A 366 7.758 -6.907 9.227 1.00 0.00 C ATOM 201 CG LYS A 366 7.116 -5.659 9.814 1.00 0.00 C ATOM 202 CD LYS A 366 6.407 -4.842 8.745 1.00 0.00 C ATOM 203 CE LYS A 366 5.806 -3.570 9.324 1.00 0.00 C ATOM 204 NZ LYS A 366 5.155 -2.737 8.275 1.00 0.00 N ATOM 0 H LYS A 366 10.574 -6.968 10.290 1.00 0.00 H new ATOM 0 HA LYS A 366 7.985 -8.039 11.047 1.00 0.00 H new ATOM 0 HB2 LYS A 366 8.381 -6.617 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 366 6.974 -7.556 8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 366 6.403 -5.945 10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 366 7.880 -5.047 10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 366 7.112 -4.586 7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 366 5.620 -5.443 8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 366 5.073 -3.830 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 366 6.587 -2.990 9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 4.758 -1.880 8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 5.859 -2.468 7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 4.393 -3.281 7.823 1.00 0.00 H new ATOM 218 N PRO A 367 8.808 -10.143 9.895 1.00 0.00 N ATOM 219 CA PRO A 367 9.320 -11.369 9.277 1.00 0.00 C ATOM 220 C PRO A 367 8.812 -11.556 7.852 1.00 0.00 C ATOM 221 O PRO A 367 7.606 -11.645 7.620 1.00 0.00 O ATOM 222 CB PRO A 367 8.790 -12.493 10.181 1.00 0.00 C ATOM 223 CG PRO A 367 8.212 -11.821 11.381 1.00 0.00 C ATOM 224 CD PRO A 367 7.837 -10.434 10.955 1.00 0.00 C ATOM 0 HA PRO A 367 10.407 -11.351 9.197 1.00 0.00 H new ATOM 0 HB2 PRO A 367 8.035 -13.085 9.664 1.00 0.00 H new ATOM 0 HB3 PRO A 367 9.591 -13.176 10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 367 7.340 -12.363 11.746 1.00 0.00 H new ATOM 0 HG3 PRO A 367 8.935 -11.794 12.196 1.00 0.00 H new ATOM 0 HD2 PRO A 367 6.812 -10.388 10.588 1.00 0.00 H new ATOM 0 HD3 PRO A 367 7.913 -9.724 11.779 1.00 0.00 H new ATOM 232 N ALA A 368 9.746 -11.625 6.903 1.00 0.00 N ATOM 233 CA ALA A 368 9.411 -11.812 5.491 1.00 0.00 C ATOM 234 C ALA A 368 8.558 -10.673 4.948 1.00 0.00 C ATOM 235 O ALA A 368 7.709 -10.123 5.649 1.00 0.00 O ATOM 236 CB ALA A 368 8.697 -13.135 5.277 1.00 0.00 C ATOM 0 H ALA A 368 10.746 -11.554 7.088 1.00 0.00 H new ATOM 0 HA ALA A 368 10.352 -11.817 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 368 8.458 -13.253 4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 368 9.343 -13.953 5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 368 7.777 -13.151 5.861 1.00 0.00 H new ATOM 242 N GLU A 369 8.788 -10.338 3.681 1.00 0.00 N ATOM 243 CA GLU A 369 8.044 -9.277 3.012 1.00 0.00 C ATOM 244 C GLU A 369 8.293 -7.922 3.663 1.00 0.00 C ATOM 245 O GLU A 369 8.342 -7.801 4.887 1.00 0.00 O ATOM 246 CB GLU A 369 6.546 -9.588 3.010 1.00 0.00 C ATOM 247 CG GLU A 369 5.709 -8.542 2.290 1.00 0.00 C ATOM 248 CD GLU A 369 4.234 -8.888 2.271 1.00 0.00 C ATOM 249 OE1 GLU A 369 3.881 -9.954 1.723 1.00 0.00 O ATOM 250 OE2 GLU A 369 3.429 -8.094 2.803 1.00 0.00 O ATOM 0 H GLU A 369 9.489 -10.790 3.094 1.00 0.00 H new ATOM 0 HA GLU A 369 8.399 -9.229 1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 369 6.385 -10.558 2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 369 6.199 -9.673 4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 369 5.845 -7.576 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 369 6.067 -8.438 1.266 1.00 0.00 H new ATOM 257 N SER A 370 8.449 -6.906 2.827 1.00 0.00 N ATOM 258 CA SER A 370 8.692 -5.549 3.303 1.00 0.00 C ATOM 259 C SER A 370 8.545 -4.537 2.171 1.00 0.00 C ATOM 260 O SER A 370 9.035 -4.754 1.062 1.00 0.00 O ATOM 261 CB SER A 370 10.090 -5.445 3.911 1.00 0.00 C ATOM 262 OG SER A 370 11.084 -5.750 2.950 1.00 0.00 O ATOM 0 H SER A 370 8.412 -6.995 1.812 1.00 0.00 H new ATOM 0 HA SER A 370 7.949 -5.322 4.067 1.00 0.00 H new ATOM 0 HB2 SER A 370 10.249 -4.438 4.297 1.00 0.00 H new ATOM 0 HB3 SER A 370 10.175 -6.128 4.757 1.00 0.00 H new ATOM 0 HG SER A 370 10.949 -6.662 2.618 1.00 0.00 H new ATOM 268 N GLN A 371 7.865 -3.431 2.463 1.00 0.00 N ATOM 269 CA GLN A 371 7.646 -2.377 1.477 1.00 0.00 C ATOM 270 C GLN A 371 7.025 -1.141 2.130 1.00 0.00 C ATOM 271 O GLN A 371 7.310 -0.837 3.289 1.00 0.00 O ATOM 272 CB GLN A 371 6.757 -2.898 0.340 1.00 0.00 C ATOM 273 CG GLN A 371 5.550 -3.698 0.813 1.00 0.00 C ATOM 274 CD GLN A 371 4.559 -2.869 1.606 1.00 0.00 C ATOM 275 OE1 GLN A 371 3.972 -1.919 1.088 1.00 0.00 O ATOM 276 NE2 GLN A 371 4.369 -3.225 2.872 1.00 0.00 N ATOM 0 H GLN A 371 7.455 -3.242 3.378 1.00 0.00 H new ATOM 0 HA GLN A 371 8.610 -2.085 1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 371 6.409 -2.052 -0.252 1.00 0.00 H new ATOM 0 HB3 GLN A 371 7.358 -3.523 -0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 371 5.045 -4.127 -0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 371 5.892 -4.530 1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 371 4.877 -4.020 3.260 1.00 0.00 H new ATOM 0 HE22 GLN A 371 3.715 -2.704 3.456 1.00 0.00 H new ATOM 285 N GLN A 372 6.177 -0.431 1.388 1.00 0.00 N ATOM 286 CA GLN A 372 5.527 0.766 1.909 1.00 0.00 C ATOM 287 C GLN A 372 4.222 1.049 1.171 1.00 0.00 C ATOM 288 O GLN A 372 4.175 1.036 -0.060 1.00 0.00 O ATOM 289 CB GLN A 372 6.462 1.974 1.794 1.00 0.00 C ATOM 290 CG GLN A 372 6.902 2.271 0.369 1.00 0.00 C ATOM 291 CD GLN A 372 7.789 3.499 0.275 1.00 0.00 C ATOM 292 OE1 GLN A 372 7.378 4.604 0.628 1.00 0.00 O ATOM 293 NE2 GLN A 372 9.013 3.312 -0.205 1.00 0.00 N ATOM 0 H GLN A 372 5.926 -0.664 0.427 1.00 0.00 H new ATOM 0 HA GLN A 372 5.297 0.590 2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 372 5.959 2.852 2.200 1.00 0.00 H new ATOM 0 HB3 GLN A 372 7.345 1.799 2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 372 7.438 1.409 -0.029 1.00 0.00 H new ATOM 0 HG3 GLN A 372 6.021 2.415 -0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 372 9.313 2.379 -0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 372 9.653 4.102 -0.292 1.00 0.00 H new ATOM 302 N GLN A 373 3.165 1.307 1.934 1.00 0.00 N ATOM 303 CA GLN A 373 1.857 1.599 1.361 1.00 0.00 C ATOM 304 C GLN A 373 1.860 2.964 0.681 1.00 0.00 C ATOM 305 O GLN A 373 2.534 3.890 1.135 1.00 0.00 O ATOM 306 CB GLN A 373 0.779 1.552 2.445 1.00 0.00 C ATOM 307 CG GLN A 373 -0.636 1.695 1.906 1.00 0.00 C ATOM 308 CD GLN A 373 -1.007 0.587 0.937 1.00 0.00 C ATOM 309 OE1 GLN A 373 -0.415 0.457 -0.135 1.00 0.00 O ATOM 310 NE2 GLN A 373 -1.988 -0.223 1.314 1.00 0.00 N ATOM 0 H GLN A 373 3.190 1.320 2.954 1.00 0.00 H new ATOM 0 HA GLN A 373 1.635 0.840 0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 373 0.859 0.608 2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 373 0.966 2.348 3.166 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -1.340 1.695 2.739 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.734 2.658 1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -2.452 -0.079 2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -2.278 -0.989 0.707 1.00 0.00 H new ATOM 319 N ALA A 374 1.110 3.087 -0.410 1.00 0.00 N ATOM 320 CA ALA A 374 1.037 4.343 -1.144 1.00 0.00 C ATOM 321 C ALA A 374 -0.403 4.820 -1.277 1.00 0.00 C ATOM 322 O ALA A 374 -1.295 4.042 -1.618 1.00 0.00 O ATOM 323 CB ALA A 374 1.673 4.189 -2.518 1.00 0.00 C ATOM 0 H ALA A 374 0.546 2.334 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 374 1.590 5.095 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.611 5.135 -3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.719 3.903 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.145 3.418 -3.079 1.00 0.00 H new ATOM 329 N ALA A 375 -0.622 6.103 -1.007 1.00 0.00 N ATOM 330 CA ALA A 375 -1.953 6.685 -1.096 1.00 0.00 C ATOM 331 C ALA A 375 -2.516 6.543 -2.506 1.00 0.00 C ATOM 332 O ALA A 375 -2.200 7.333 -3.397 1.00 0.00 O ATOM 333 CB ALA A 375 -1.916 8.149 -0.681 1.00 0.00 C ATOM 0 H ALA A 375 0.107 6.758 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.610 6.144 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -2.918 8.573 -0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.561 8.227 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.243 8.697 -1.340 1.00 0.00 H new ATOM 339 N GLU A 376 -3.352 5.529 -2.695 1.00 0.00 N ATOM 340 CA GLU A 376 -3.971 5.266 -3.987 1.00 0.00 C ATOM 341 C GLU A 376 -4.944 6.385 -4.356 1.00 0.00 C ATOM 342 O GLU A 376 -4.753 7.538 -3.973 1.00 0.00 O ATOM 343 CB GLU A 376 -4.691 3.915 -3.945 1.00 0.00 C ATOM 344 CG GLU A 376 -3.806 2.773 -3.473 1.00 0.00 C ATOM 345 CD GLU A 376 -2.629 2.528 -4.397 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.861 2.231 -5.587 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.475 2.633 -3.930 1.00 0.00 O ATOM 0 H GLU A 376 -3.618 4.871 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.196 5.231 -4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.555 3.992 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.071 3.683 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.437 2.994 -2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.401 1.863 -3.400 1.00 0.00 H new ATOM 354 N THR A 377 -5.985 6.034 -5.100 1.00 0.00 N ATOM 355 CA THR A 377 -6.989 6.999 -5.527 1.00 0.00 C ATOM 356 C THR A 377 -8.349 6.330 -5.639 1.00 0.00 C ATOM 357 O THR A 377 -8.436 5.124 -5.862 1.00 0.00 O ATOM 358 CB THR A 377 -6.624 7.633 -6.884 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.540 6.620 -7.891 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.298 8.375 -6.794 1.00 0.00 C ATOM 0 H THR A 377 -6.156 5.081 -5.422 1.00 0.00 H new ATOM 0 HA THR A 377 -7.025 7.787 -4.774 1.00 0.00 H new ATOM 0 HB THR A 377 -7.405 8.345 -7.150 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.483 5.739 -7.465 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.060 8.814 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.373 9.164 -6.046 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.510 7.678 -6.508 1.00 0.00 H new ATOM 368 N GLU A 378 -9.408 7.113 -5.464 1.00 0.00 N ATOM 369 CA GLU A 378 -10.764 6.584 -5.530 1.00 0.00 C ATOM 370 C GLU A 378 -10.945 5.710 -6.762 1.00 0.00 C ATOM 371 O GLU A 378 -11.599 4.669 -6.711 1.00 0.00 O ATOM 372 CB GLU A 378 -11.782 7.722 -5.546 1.00 0.00 C ATOM 373 CG GLU A 378 -13.222 7.246 -5.457 1.00 0.00 C ATOM 374 CD GLU A 378 -14.218 8.388 -5.507 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.219 9.133 -6.509 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.997 8.537 -4.542 1.00 0.00 O ATOM 0 H GLU A 378 -9.353 8.114 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.930 5.973 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.577 8.394 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.654 8.301 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.424 6.556 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.360 6.689 -4.530 1.00 0.00 H new ATOM 383 N GLY A 379 -10.360 6.147 -7.869 1.00 0.00 N ATOM 384 CA GLY A 379 -10.462 5.405 -9.108 1.00 0.00 C ATOM 385 C GLY A 379 -9.799 4.044 -9.046 1.00 0.00 C ATOM 386 O GLY A 379 -10.334 3.067 -9.570 1.00 0.00 O ATOM 0 H GLY A 379 -9.814 7.007 -7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.514 5.278 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.008 5.987 -9.911 1.00 0.00 H new ATOM 390 N SER A 380 -8.632 3.975 -8.416 1.00 0.00 N ATOM 391 CA SER A 380 -7.905 2.714 -8.308 1.00 0.00 C ATOM 392 C SER A 380 -8.580 1.765 -7.321 1.00 0.00 C ATOM 393 O SER A 380 -8.753 0.579 -7.605 1.00 0.00 O ATOM 394 CB SER A 380 -6.458 2.971 -7.883 1.00 0.00 C ATOM 395 OG SER A 380 -6.402 3.606 -6.618 1.00 0.00 O ATOM 0 H SER A 380 -8.171 4.771 -7.975 1.00 0.00 H new ATOM 0 HA SER A 380 -7.911 2.240 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.914 2.027 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.962 3.593 -8.628 1.00 0.00 H new ATOM 0 HG SER A 380 -7.238 4.091 -6.458 1.00 0.00 H new ATOM 401 N CYS A 381 -8.953 2.294 -6.160 1.00 0.00 N ATOM 402 CA CYS A 381 -9.598 1.500 -5.119 1.00 0.00 C ATOM 403 C CYS A 381 -10.828 0.769 -5.646 1.00 0.00 C ATOM 404 O CYS A 381 -10.983 -0.434 -5.435 1.00 0.00 O ATOM 405 CB CYS A 381 -9.999 2.394 -3.948 1.00 0.00 C ATOM 406 SG CYS A 381 -8.599 3.229 -3.136 1.00 0.00 S ATOM 0 H CYS A 381 -8.819 3.275 -5.915 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.878 0.754 -4.784 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.701 3.148 -4.304 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.527 1.791 -3.209 1.00 0.00 H new ATOM 411 N ASN A 382 -11.703 1.501 -6.328 1.00 0.00 N ATOM 412 CA ASN A 382 -12.924 0.922 -6.879 1.00 0.00 C ATOM 413 C ASN A 382 -12.609 -0.296 -7.737 1.00 0.00 C ATOM 414 O ASN A 382 -13.360 -1.272 -7.753 1.00 0.00 O ATOM 415 CB ASN A 382 -13.677 1.957 -7.717 1.00 0.00 C ATOM 416 CG ASN A 382 -14.078 3.189 -6.924 1.00 0.00 C ATOM 417 OD1 ASN A 382 -14.710 4.101 -7.459 1.00 0.00 O ATOM 418 ND2 ASN A 382 -13.713 3.229 -5.647 1.00 0.00 N ATOM 0 H ASN A 382 -11.589 2.498 -6.513 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.552 0.611 -6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.051 2.260 -8.556 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.571 1.495 -8.136 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -13.956 4.036 -5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -13.190 2.453 -5.241 1.00 0.00 H new ATOM 425 N LYS A 383 -11.498 -0.225 -8.458 1.00 0.00 N ATOM 426 CA LYS A 383 -11.082 -1.310 -9.333 1.00 0.00 C ATOM 427 C LYS A 383 -10.454 -2.457 -8.546 1.00 0.00 C ATOM 428 O LYS A 383 -10.573 -3.620 -8.933 1.00 0.00 O ATOM 429 CB LYS A 383 -10.095 -0.793 -10.379 1.00 0.00 C ATOM 430 CG LYS A 383 -10.614 0.408 -11.157 1.00 0.00 C ATOM 431 CD LYS A 383 -11.935 0.116 -11.860 1.00 0.00 C ATOM 432 CE LYS A 383 -11.770 -0.866 -13.015 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.391 -2.231 -12.550 1.00 0.00 N ATOM 0 H LYS A 383 -10.867 0.577 -8.453 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.972 -1.694 -9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.162 -0.521 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.863 -1.597 -11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.745 1.249 -10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.871 0.708 -11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.646 -0.289 -11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.358 1.048 -12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.702 -0.922 -13.577 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.008 -0.493 -13.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.707 -2.935 -13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.358 -2.288 -12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.843 -2.423 -11.633 1.00 0.00 H new ATOM 447 N LYS A 384 -9.770 -2.127 -7.452 1.00 0.00 N ATOM 448 CA LYS A 384 -9.115 -3.130 -6.639 1.00 0.00 C ATOM 449 C LYS A 384 -10.093 -4.132 -6.060 1.00 0.00 C ATOM 450 O LYS A 384 -11.252 -3.822 -5.785 1.00 0.00 O ATOM 451 CB LYS A 384 -8.330 -2.470 -5.519 1.00 0.00 C ATOM 452 CG LYS A 384 -7.186 -1.647 -6.040 1.00 0.00 C ATOM 453 CD LYS A 384 -6.231 -2.490 -6.832 1.00 0.00 C ATOM 454 CE LYS A 384 -5.727 -1.705 -8.008 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.393 -1.094 -7.751 1.00 0.00 N ATOM 0 H LYS A 384 -9.659 -1.171 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.435 -3.676 -7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.996 -1.835 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.947 -3.236 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.569 -0.841 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.660 -1.181 -5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.396 -2.800 -6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.728 -3.398 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.663 -2.359 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.443 -0.920 -8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -4.087 -0.563 -8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.457 -0.449 -6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.702 -1.843 -7.545 1.00 0.00 H new ATOM 469 N ASP A 385 -9.583 -5.329 -5.865 1.00 0.00 N ATOM 470 CA ASP A 385 -10.357 -6.425 -5.294 1.00 0.00 C ATOM 471 C ASP A 385 -10.246 -6.399 -3.777 1.00 0.00 C ATOM 472 O ASP A 385 -9.563 -5.543 -3.223 1.00 0.00 O ATOM 473 CB ASP A 385 -9.869 -7.769 -5.838 1.00 0.00 C ATOM 474 CG ASP A 385 -10.027 -7.879 -7.343 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.526 -6.916 -7.962 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.653 -8.931 -7.903 1.00 0.00 O ATOM 0 H ASP A 385 -8.621 -5.576 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.402 -6.301 -5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.820 -7.904 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.424 -8.575 -5.358 1.00 0.00 H new ATOM 481 N GLN A 386 -10.914 -7.333 -3.106 1.00 0.00 N ATOM 482 CA GLN A 386 -10.875 -7.393 -1.647 1.00 0.00 C ATOM 483 C GLN A 386 -9.440 -7.298 -1.136 1.00 0.00 C ATOM 484 O GLN A 386 -9.107 -6.413 -0.346 1.00 0.00 O ATOM 485 CB GLN A 386 -11.521 -8.687 -1.149 1.00 0.00 C ATOM 486 CG GLN A 386 -11.513 -8.825 0.366 1.00 0.00 C ATOM 487 CD GLN A 386 -12.130 -10.128 0.837 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.665 -11.211 0.484 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.181 -10.027 1.641 1.00 0.00 N ATOM 0 H GLN A 386 -11.486 -8.055 -3.545 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.437 -6.543 -1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.551 -8.730 -1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.997 -9.537 -1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.487 -8.762 0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.058 -7.990 0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.533 -9.107 1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.637 -10.869 1.992 1.00 0.00 H new ATOM 498 N ASN A 387 -8.591 -8.209 -1.598 1.00 0.00 N ATOM 499 CA ASN A 387 -7.199 -8.233 -1.205 1.00 0.00 C ATOM 500 C ASN A 387 -6.458 -7.007 -1.728 1.00 0.00 C ATOM 501 O ASN A 387 -5.516 -6.522 -1.099 1.00 0.00 O ATOM 502 CB ASN A 387 -6.551 -9.506 -1.736 1.00 0.00 C ATOM 503 CG ASN A 387 -7.172 -10.758 -1.151 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.180 -10.952 0.065 1.00 0.00 O ATOM 505 ND2 ASN A 387 -7.695 -11.619 -2.015 1.00 0.00 N ATOM 0 H ASN A 387 -8.853 -8.946 -2.253 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.141 -8.216 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -6.643 -9.531 -2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -5.486 -9.491 -1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -8.125 -12.481 -1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -7.667 -11.419 -3.015 1.00 0.00 H new ATOM 512 N GLU A 388 -6.883 -6.516 -2.887 1.00 0.00 N ATOM 513 CA GLU A 388 -6.258 -5.353 -3.505 1.00 0.00 C ATOM 514 C GLU A 388 -6.697 -4.060 -2.834 1.00 0.00 C ATOM 515 O GLU A 388 -6.044 -3.027 -2.991 1.00 0.00 O ATOM 516 CB GLU A 388 -6.576 -5.310 -4.999 1.00 0.00 C ATOM 517 CG GLU A 388 -6.112 -6.544 -5.755 1.00 0.00 C ATOM 518 CD GLU A 388 -6.378 -6.453 -7.245 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.559 -6.324 -7.631 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.406 -6.510 -8.027 1.00 0.00 O ATOM 0 H GLU A 388 -7.661 -6.907 -3.419 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.180 -5.446 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.652 -5.197 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.108 -4.428 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.044 -6.686 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.617 -7.422 -5.353 1.00 0.00 H new ATOM 527 N CYS A 389 -7.795 -4.113 -2.082 1.00 0.00 N ATOM 528 CA CYS A 389 -8.287 -2.929 -1.393 1.00 0.00 C ATOM 529 C CYS A 389 -7.189 -2.411 -0.474 1.00 0.00 C ATOM 530 O CYS A 389 -6.970 -2.940 0.617 1.00 0.00 O ATOM 531 CB CYS A 389 -9.557 -3.254 -0.600 1.00 0.00 C ATOM 532 SG CYS A 389 -10.475 -1.789 -0.021 1.00 0.00 S ATOM 0 H CYS A 389 -8.353 -4.954 -1.937 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.545 -2.159 -2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.216 -3.858 -1.223 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.287 -3.863 0.262 1.00 0.00 H new ATOM 537 N LYS A 390 -6.471 -1.402 -0.950 1.00 0.00 N ATOM 538 CA LYS A 390 -5.350 -0.835 -0.205 1.00 0.00 C ATOM 539 C LYS A 390 -5.796 -0.063 1.031 1.00 0.00 C ATOM 540 O LYS A 390 -6.965 0.298 1.171 1.00 0.00 O ATOM 541 CB LYS A 390 -4.516 0.050 -1.122 1.00 0.00 C ATOM 542 CG LYS A 390 -3.823 -0.726 -2.235 1.00 0.00 C ATOM 543 CD LYS A 390 -2.708 -1.604 -1.688 1.00 0.00 C ATOM 544 CE LYS A 390 -2.030 -2.401 -2.791 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.977 -3.329 -3.468 1.00 0.00 N ATOM 0 H LYS A 390 -6.644 -0.957 -1.851 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.741 -1.666 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.158 0.812 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.765 0.571 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.552 -1.345 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.414 -0.029 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.970 -0.982 -1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.115 -2.287 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.606 -1.716 -3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.202 -2.971 -2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.575 -4.288 -3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.881 -3.338 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.137 -3.010 -4.445 1.00 0.00 H new ATOM 559 N SER A 391 -4.845 0.163 1.937 1.00 0.00 N ATOM 560 CA SER A 391 -5.109 0.870 3.188 1.00 0.00 C ATOM 561 C SER A 391 -5.779 2.222 2.944 1.00 0.00 C ATOM 562 O SER A 391 -6.830 2.498 3.521 1.00 0.00 O ATOM 563 CB SER A 391 -3.814 1.057 3.985 1.00 0.00 C ATOM 564 OG SER A 391 -4.060 1.733 5.207 1.00 0.00 O ATOM 0 H SER A 391 -3.877 -0.137 1.825 1.00 0.00 H new ATOM 0 HA SER A 391 -5.798 0.257 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.364 0.085 4.188 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.096 1.623 3.391 1.00 0.00 H new ATOM 0 HG SER A 391 -3.218 1.839 5.698 1.00 0.00 H new ATOM 570 N PRO A 392 -5.200 3.089 2.082 1.00 0.00 N ATOM 571 CA PRO A 392 -5.781 4.393 1.780 1.00 0.00 C ATOM 572 C PRO A 392 -7.256 4.264 1.444 1.00 0.00 C ATOM 573 O PRO A 392 -8.065 5.131 1.775 1.00 0.00 O ATOM 574 CB PRO A 392 -4.990 4.867 0.549 1.00 0.00 C ATOM 575 CG PRO A 392 -4.203 3.689 0.094 1.00 0.00 C ATOM 576 CD PRO A 392 -3.958 2.886 1.324 1.00 0.00 C ATOM 0 HA PRO A 392 -5.720 5.085 2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.661 5.216 -0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.335 5.701 0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.752 3.112 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.265 3.997 -0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.788 1.834 1.096 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.084 3.238 1.873 1.00 0.00 H new ATOM 584 N CYS A 393 -7.589 3.163 0.784 1.00 0.00 N ATOM 585 CA CYS A 393 -8.959 2.885 0.389 1.00 0.00 C ATOM 586 C CYS A 393 -9.828 2.596 1.609 1.00 0.00 C ATOM 587 O CYS A 393 -9.472 2.943 2.735 1.00 0.00 O ATOM 588 CB CYS A 393 -8.986 1.683 -0.555 1.00 0.00 C ATOM 589 SG CYS A 393 -7.813 1.790 -1.945 1.00 0.00 S ATOM 0 H CYS A 393 -6.920 2.443 0.510 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.357 3.763 -0.119 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.770 0.781 0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.994 1.573 -0.954 1.00 0.00 H new ATOM 594 N LYS A 394 -10.960 1.941 1.370 1.00 0.00 N ATOM 595 CA LYS A 394 -11.892 1.575 2.432 1.00 0.00 C ATOM 596 C LYS A 394 -12.764 0.411 1.990 1.00 0.00 C ATOM 597 O LYS A 394 -13.506 0.511 1.012 1.00 0.00 O ATOM 598 CB LYS A 394 -12.779 2.765 2.820 1.00 0.00 C ATOM 599 CG LYS A 394 -12.071 3.823 3.654 1.00 0.00 C ATOM 600 CD LYS A 394 -11.573 3.260 4.978 1.00 0.00 C ATOM 601 CE LYS A 394 -12.717 2.739 5.833 1.00 0.00 C ATOM 602 NZ LYS A 394 -12.231 2.143 7.110 1.00 0.00 N ATOM 0 H LYS A 394 -11.257 1.650 0.439 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.308 1.278 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -13.162 3.230 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.640 2.396 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.229 4.226 3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.753 4.652 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -10.865 2.454 4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -11.035 4.035 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.407 3.554 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.277 1.990 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -13.042 1.800 7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -11.593 1.349 6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -11.719 2.864 7.657 1.00 0.00 H new ATOM 616 N TRP A 395 -12.668 -0.695 2.716 1.00 0.00 N ATOM 617 CA TRP A 395 -13.444 -1.881 2.398 1.00 0.00 C ATOM 618 C TRP A 395 -14.868 -1.755 2.929 1.00 0.00 C ATOM 619 O TRP A 395 -15.075 -1.463 4.107 1.00 0.00 O ATOM 620 CB TRP A 395 -12.774 -3.125 2.986 1.00 0.00 C ATOM 621 CG TRP A 395 -13.421 -4.407 2.560 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.962 -5.360 3.374 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.581 -4.883 1.219 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.457 -6.397 2.621 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.234 -6.128 1.295 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.239 -4.376 -0.041 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.548 -6.874 0.162 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.554 -5.118 -1.163 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.202 -6.354 -1.057 1.00 0.00 C ATOM 0 H TRP A 395 -12.060 -0.793 3.529 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.488 -1.979 1.313 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.726 -3.139 2.688 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.795 -3.060 4.074 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.996 -5.307 4.452 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.916 -7.231 2.988 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.739 -3.423 -0.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.047 -7.829 0.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.295 -4.737 -2.140 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.434 -6.909 -1.954 1.00 0.00 H new ATOM 640 N HIS A 396 -15.846 -1.982 2.058 1.00 0.00 N ATOM 641 CA HIS A 396 -17.246 -1.898 2.454 1.00 0.00 C ATOM 642 C HIS A 396 -17.906 -3.269 2.401 1.00 0.00 C ATOM 643 O HIS A 396 -18.070 -3.852 1.328 1.00 0.00 O ATOM 644 CB HIS A 396 -17.998 -0.915 1.555 1.00 0.00 C ATOM 645 CG HIS A 396 -17.506 0.494 1.672 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.525 1.201 2.857 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.980 1.330 0.746 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.032 2.409 2.653 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.693 2.513 1.383 1.00 0.00 N ATOM 0 H HIS A 396 -15.696 -2.224 1.079 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.287 -1.536 3.481 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.906 -1.239 0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.059 -0.944 1.805 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.817 1.108 -0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.925 3.181 3.400 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.284 3.338 0.945 1.00 0.00 H new ATOM 658 N ASN A 397 -18.283 -3.773 3.571 1.00 0.00 N ATOM 659 CA ASN A 397 -18.931 -5.074 3.680 1.00 0.00 C ATOM 660 C ASN A 397 -20.408 -4.977 3.315 1.00 0.00 C ATOM 661 O ASN A 397 -21.023 -3.923 3.472 1.00 0.00 O ATOM 662 CB ASN A 397 -18.765 -5.634 5.093 1.00 0.00 C ATOM 663 CG ASN A 397 -19.492 -6.950 5.288 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.218 -7.931 4.597 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.427 -6.976 6.231 1.00 0.00 N ATOM 0 H ASN A 397 -18.150 -3.296 4.463 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.452 -5.755 2.976 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.704 -5.775 5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -19.138 -4.907 5.814 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.951 -7.833 6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.621 -6.139 6.780 1.00 0.00 H new ATOM 672 N ASP A 398 -20.959 -6.084 2.815 1.00 0.00 N ATOM 673 CA ASP A 398 -22.365 -6.151 2.408 1.00 0.00 C ATOM 674 C ASP A 398 -22.754 -4.944 1.559 1.00 0.00 C ATOM 675 O ASP A 398 -23.886 -4.463 1.623 1.00 0.00 O ATOM 676 CB ASP A 398 -23.290 -6.272 3.628 1.00 0.00 C ATOM 677 CG ASP A 398 -23.201 -5.088 4.573 1.00 0.00 C ATOM 678 OD1 ASP A 398 -23.545 -3.963 4.153 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.788 -5.286 5.735 1.00 0.00 O ATOM 0 H ASP A 398 -20.447 -6.956 2.681 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.486 -7.047 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -24.319 -6.377 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.042 -7.182 4.174 1.00 0.00 H new ATOM 684 N ALA A 399 -21.808 -4.469 0.753 1.00 0.00 N ATOM 685 CA ALA A 399 -22.043 -3.329 -0.125 1.00 0.00 C ATOM 686 C ALA A 399 -22.749 -3.770 -1.400 1.00 0.00 C ATOM 687 O ALA A 399 -22.365 -3.376 -2.502 1.00 0.00 O ATOM 688 CB ALA A 399 -20.727 -2.652 -0.462 1.00 0.00 C ATOM 0 H ALA A 399 -20.868 -4.859 0.691 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.685 -2.618 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.913 -1.802 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.251 -2.305 0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.071 -3.362 -0.965 1.00 0.00 H new ATOM 694 N GLU A 400 -23.766 -4.612 -1.233 1.00 0.00 N ATOM 695 CA GLU A 400 -24.535 -5.154 -2.352 1.00 0.00 C ATOM 696 C GLU A 400 -23.731 -6.237 -3.062 1.00 0.00 C ATOM 697 O GLU A 400 -24.292 -7.162 -3.650 1.00 0.00 O ATOM 698 CB GLU A 400 -24.932 -4.053 -3.341 1.00 0.00 C ATOM 699 CG GLU A 400 -25.788 -2.956 -2.727 1.00 0.00 C ATOM 700 CD GLU A 400 -27.145 -3.453 -2.266 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.189 -4.328 -1.374 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.166 -2.966 -2.795 1.00 0.00 O ATOM 0 H GLU A 400 -24.081 -4.938 -0.319 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.451 -5.591 -1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.028 -3.607 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.475 -4.503 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.259 -2.521 -1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.928 -2.159 -3.458 1.00 0.00 H new ATOM 709 N ASN A 401 -22.410 -6.110 -2.990 1.00 0.00 N ATOM 710 CA ASN A 401 -21.499 -7.060 -3.607 1.00 0.00 C ATOM 711 C ASN A 401 -20.062 -6.675 -3.283 1.00 0.00 C ATOM 712 O ASN A 401 -19.147 -6.908 -4.074 1.00 0.00 O ATOM 713 CB ASN A 401 -21.718 -7.082 -5.117 1.00 0.00 C ATOM 714 CG ASN A 401 -21.395 -5.751 -5.768 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.231 -5.365 -5.882 1.00 0.00 O ATOM 716 ND2 ASN A 401 -22.430 -5.032 -6.176 1.00 0.00 N ATOM 0 H ASN A 401 -21.944 -5.345 -2.502 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.693 -8.058 -3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.097 -7.860 -5.560 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.755 -7.344 -5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.279 -4.119 -6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.378 -5.392 -6.061 1.00 0.00 H new ATOM 723 N LYS A 402 -19.885 -6.077 -2.105 1.00 0.00 N ATOM 724 CA LYS A 402 -18.574 -5.631 -1.640 1.00 0.00 C ATOM 725 C LYS A 402 -18.042 -4.510 -2.526 1.00 0.00 C ATOM 726 O LYS A 402 -18.041 -4.624 -3.752 1.00 0.00 O ATOM 727 CB LYS A 402 -17.575 -6.796 -1.613 1.00 0.00 C ATOM 728 CG LYS A 402 -17.883 -7.859 -0.566 1.00 0.00 C ATOM 729 CD LYS A 402 -19.142 -8.642 -0.900 1.00 0.00 C ATOM 730 CE LYS A 402 -19.415 -9.722 0.134 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.286 -10.686 0.241 1.00 0.00 N ATOM 0 H LYS A 402 -20.644 -5.889 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.692 -5.252 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.555 -7.266 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.577 -6.399 -1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.040 -8.545 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.999 -7.385 0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.992 -7.962 -0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.038 -9.097 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.590 -9.259 1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -20.326 -10.258 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.601 -11.534 0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.968 -10.955 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -17.499 -10.243 0.756 1.00 0.00 H new ATOM 745 N LYS A 403 -17.588 -3.422 -1.905 1.00 0.00 N ATOM 746 CA LYS A 403 -17.059 -2.292 -2.664 1.00 0.00 C ATOM 747 C LYS A 403 -15.920 -1.598 -1.924 1.00 0.00 C ATOM 748 O LYS A 403 -16.046 -1.246 -0.753 1.00 0.00 O ATOM 749 CB LYS A 403 -18.160 -1.268 -2.962 1.00 0.00 C ATOM 750 CG LYS A 403 -19.340 -1.826 -3.743 1.00 0.00 C ATOM 751 CD LYS A 403 -20.187 -0.714 -4.350 1.00 0.00 C ATOM 752 CE LYS A 403 -20.733 0.231 -3.290 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.655 -0.460 -2.349 1.00 0.00 N ATOM 0 H LYS A 403 -17.576 -3.300 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.673 -2.696 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.524 -0.859 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.727 -0.440 -3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.976 -2.481 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.958 -2.436 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.587 -0.150 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -21.016 -1.152 -4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.905 0.667 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -21.259 1.054 -3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -22.613 -0.070 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.671 -1.478 -2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -21.326 -0.316 -1.373 1.00 0.00 H new ATOM 767 N CYS A 404 -14.815 -1.382 -2.633 1.00 0.00 N ATOM 768 CA CYS A 404 -13.653 -0.703 -2.068 1.00 0.00 C ATOM 769 C CYS A 404 -13.570 0.717 -2.627 1.00 0.00 C ATOM 770 O CYS A 404 -13.681 0.918 -3.837 1.00 0.00 O ATOM 771 CB CYS A 404 -12.373 -1.484 -2.388 1.00 0.00 C ATOM 772 SG CYS A 404 -10.848 -0.739 -1.724 1.00 0.00 S ATOM 0 H CYS A 404 -14.700 -1.669 -3.605 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.758 -0.652 -0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.471 -2.495 -1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.278 -1.573 -3.470 1.00 0.00 H new ATOM 777 N THR A 405 -13.394 1.702 -1.748 1.00 0.00 N ATOM 778 CA THR A 405 -13.324 3.097 -2.178 1.00 0.00 C ATOM 779 C THR A 405 -12.268 3.879 -1.402 1.00 0.00 C ATOM 780 O THR A 405 -12.108 3.698 -0.195 1.00 0.00 O ATOM 781 CB THR A 405 -14.681 3.805 -2.009 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.076 3.783 -0.632 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.753 3.139 -2.859 1.00 0.00 C ATOM 0 H THR A 405 -13.298 1.562 -0.742 1.00 0.00 H new ATOM 0 HA THR A 405 -13.050 3.077 -3.233 1.00 0.00 H new ATOM 0 HB THR A 405 -14.569 4.837 -2.340 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.694 4.523 -0.457 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.701 3.658 -2.721 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.464 3.183 -3.909 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.862 2.098 -2.556 1.00 0.00 H new ATOM 791 N LEU A 406 -11.555 4.751 -2.110 1.00 0.00 N ATOM 792 CA LEU A 406 -10.517 5.572 -1.503 1.00 0.00 C ATOM 793 C LEU A 406 -11.120 6.584 -0.542 1.00 0.00 C ATOM 794 O LEU A 406 -12.187 7.143 -0.795 1.00 0.00 O ATOM 795 CB LEU A 406 -9.705 6.277 -2.588 1.00 0.00 C ATOM 796 CG LEU A 406 -8.427 6.984 -2.125 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.745 8.319 -1.475 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.638 6.096 -1.176 1.00 0.00 C ATOM 0 H LEU A 406 -11.680 4.906 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.852 4.924 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.434 5.542 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.347 7.013 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.812 7.179 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.819 8.798 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.257 8.960 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.387 8.158 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.734 6.616 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.248 5.863 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.365 5.172 -1.685 1.00 0.00 H new ATOM 810 N ASP A 407 -10.423 6.811 0.561 1.00 0.00 N ATOM 811 CA ASP A 407 -10.874 7.755 1.575 1.00 0.00 C ATOM 812 C ASP A 407 -9.876 8.898 1.730 1.00 0.00 C ATOM 813 O ASP A 407 -8.668 8.673 1.801 1.00 0.00 O ATOM 814 CB ASP A 407 -11.072 7.041 2.912 1.00 0.00 C ATOM 815 CG ASP A 407 -11.590 7.967 3.996 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.682 8.544 3.811 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.906 8.112 5.030 1.00 0.00 O ATOM 0 H ASP A 407 -9.538 6.352 0.778 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.828 8.173 1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.772 6.216 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.125 6.607 3.232 1.00 0.00 H new ATOM 822 N LYS A 408 -10.389 10.123 1.777 1.00 0.00 N ATOM 823 CA LYS A 408 -9.542 11.303 1.919 1.00 0.00 C ATOM 824 C LYS A 408 -8.803 11.295 3.254 1.00 0.00 C ATOM 825 O LYS A 408 -7.615 11.609 3.316 1.00 0.00 O ATOM 826 CB LYS A 408 -10.386 12.575 1.798 1.00 0.00 C ATOM 827 CG LYS A 408 -11.121 12.697 0.471 1.00 0.00 C ATOM 828 CD LYS A 408 -10.153 12.777 -0.700 1.00 0.00 C ATOM 829 CE LYS A 408 -10.887 12.906 -2.024 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.785 11.745 -2.277 1.00 0.00 N ATOM 0 H LYS A 408 -11.387 10.325 1.719 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.801 11.284 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.113 12.596 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.739 13.443 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.781 11.840 0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.752 13.586 0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.489 13.631 -0.566 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.526 11.886 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.473 13.825 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.162 12.988 -2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.095 11.756 -3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.272 10.861 -2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.616 11.806 -1.654 1.00 0.00 H new ATOM 844 N GLU A 409 -9.514 10.939 4.318 1.00 0.00 N ATOM 845 CA GLU A 409 -8.934 10.894 5.653 1.00 0.00 C ATOM 846 C GLU A 409 -7.788 9.887 5.726 1.00 0.00 C ATOM 847 O GLU A 409 -6.730 10.175 6.284 1.00 0.00 O ATOM 848 CB GLU A 409 -10.013 10.538 6.676 1.00 0.00 C ATOM 849 CG GLU A 409 -9.491 10.382 8.092 1.00 0.00 C ATOM 850 CD GLU A 409 -8.921 11.669 8.658 1.00 0.00 C ATOM 851 OE1 GLU A 409 -7.926 12.177 8.099 1.00 0.00 O ATOM 852 OE2 GLU A 409 -9.469 12.169 9.663 1.00 0.00 O ATOM 0 H GLU A 409 -10.499 10.676 4.280 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.529 11.880 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.780 11.313 6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.495 9.609 6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.300 10.035 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -8.720 9.612 8.106 1.00 0.00 H new ATOM 859 N GLU A 410 -8.007 8.704 5.168 1.00 0.00 N ATOM 860 CA GLU A 410 -6.992 7.657 5.181 1.00 0.00 C ATOM 861 C GLU A 410 -5.781 8.043 4.335 1.00 0.00 C ATOM 862 O GLU A 410 -4.639 7.867 4.757 1.00 0.00 O ATOM 863 CB GLU A 410 -7.583 6.340 4.672 1.00 0.00 C ATOM 864 CG GLU A 410 -8.764 5.844 5.493 1.00 0.00 C ATOM 865 CD GLU A 410 -8.399 5.587 6.942 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.514 4.742 7.190 1.00 0.00 O ATOM 867 OE2 GLU A 410 -9.000 6.230 7.828 1.00 0.00 O ATOM 0 H GLU A 410 -8.876 8.445 4.701 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.660 7.530 6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -7.900 6.470 3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.804 5.577 4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.567 6.580 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.149 4.925 5.051 1.00 0.00 H new ATOM 874 N ALA A 411 -6.038 8.556 3.136 1.00 0.00 N ATOM 875 CA ALA A 411 -4.968 8.952 2.224 1.00 0.00 C ATOM 876 C ALA A 411 -4.067 10.027 2.824 1.00 0.00 C ATOM 877 O ALA A 411 -2.842 9.913 2.778 1.00 0.00 O ATOM 878 CB ALA A 411 -5.555 9.434 0.907 1.00 0.00 C ATOM 0 H ALA A 411 -6.979 8.708 2.772 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.349 8.072 2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.749 9.727 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.134 8.631 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.204 10.291 1.090 1.00 0.00 H new ATOM 884 N LYS A 412 -4.672 11.074 3.377 1.00 0.00 N ATOM 885 CA LYS A 412 -3.908 12.166 3.970 1.00 0.00 C ATOM 886 C LYS A 412 -3.043 11.674 5.129 1.00 0.00 C ATOM 887 O LYS A 412 -1.912 12.123 5.299 1.00 0.00 O ATOM 888 CB LYS A 412 -4.841 13.284 4.445 1.00 0.00 C ATOM 889 CG LYS A 412 -5.831 12.852 5.515 1.00 0.00 C ATOM 890 CD LYS A 412 -6.709 14.007 5.980 1.00 0.00 C ATOM 891 CE LYS A 412 -5.931 15.015 6.818 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.894 15.732 6.024 1.00 0.00 N ATOM 0 H LYS A 412 -5.684 11.189 3.427 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.248 12.563 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.239 14.105 4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.393 13.670 3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.461 12.052 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.288 12.443 6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.136 14.510 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.542 13.616 6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.624 15.740 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.455 14.500 7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.802 16.707 6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -3.982 15.242 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.173 15.748 5.022 1.00 0.00 H new ATOM 906 N LYS A 413 -3.582 10.755 5.926 1.00 0.00 N ATOM 907 CA LYS A 413 -2.851 10.213 7.069 1.00 0.00 C ATOM 908 C LYS A 413 -1.666 9.356 6.627 1.00 0.00 C ATOM 909 O LYS A 413 -0.573 9.468 7.181 1.00 0.00 O ATOM 910 CB LYS A 413 -3.785 9.389 7.959 1.00 0.00 C ATOM 911 CG LYS A 413 -4.885 10.213 8.612 1.00 0.00 C ATOM 912 CD LYS A 413 -5.789 9.353 9.483 1.00 0.00 C ATOM 913 CE LYS A 413 -5.038 8.765 10.668 1.00 0.00 C ATOM 914 NZ LYS A 413 -4.486 9.824 11.556 1.00 0.00 N ATOM 0 H LYS A 413 -4.519 10.371 5.803 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.463 11.058 7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.240 8.599 7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.197 8.902 8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -4.438 11.001 9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -5.480 10.702 7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -6.624 9.953 9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -6.211 8.546 8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -5.708 8.124 11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -4.226 8.135 10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -4.194 9.401 12.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -3.664 10.267 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -5.215 10.545 11.731 1.00 0.00 H new ATOM 928 N VAL A 414 -1.890 8.498 5.635 1.00 0.00 N ATOM 929 CA VAL A 414 -0.838 7.619 5.128 1.00 0.00 C ATOM 930 C VAL A 414 0.302 8.417 4.507 1.00 0.00 C ATOM 931 O VAL A 414 1.475 8.117 4.723 1.00 0.00 O ATOM 932 CB VAL A 414 -1.385 6.629 4.082 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.271 5.745 3.541 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.500 5.786 4.679 1.00 0.00 C ATOM 0 H VAL A 414 -2.790 8.392 5.166 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.460 7.060 5.984 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.796 7.202 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.680 5.054 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.491 6.367 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 414 0.175 5.180 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.875 5.092 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.116 5.225 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.311 6.436 5.009 1.00 0.00 H new ATOM 944 N ALA A 415 -0.051 9.430 3.730 1.00 0.00 N ATOM 945 CA ALA A 415 0.941 10.268 3.075 1.00 0.00 C ATOM 946 C ALA A 415 1.658 11.162 4.079 1.00 0.00 C ATOM 947 O ALA A 415 2.874 11.342 4.009 1.00 0.00 O ATOM 948 CB ALA A 415 0.286 11.116 1.996 1.00 0.00 C ATOM 0 H ALA A 415 -1.018 9.691 3.538 1.00 0.00 H new ATOM 0 HA ALA A 415 1.681 9.613 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.040 11.738 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.177 10.466 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.476 11.753 2.446 1.00 0.00 H new ATOM 954 N ASP A 416 0.893 11.733 5.004 1.00 0.00 N ATOM 955 CA ASP A 416 1.454 12.626 6.013 1.00 0.00 C ATOM 956 C ASP A 416 1.913 11.859 7.253 1.00 0.00 C ATOM 957 O ASP A 416 1.782 12.343 8.378 1.00 0.00 O ATOM 958 CB ASP A 416 0.425 13.684 6.407 1.00 0.00 C ATOM 959 CG ASP A 416 1.002 14.750 7.320 1.00 0.00 C ATOM 960 OD1 ASP A 416 1.958 15.435 6.902 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.496 14.898 8.452 1.00 0.00 O ATOM 0 H ASP A 416 -0.115 11.594 5.076 1.00 0.00 H new ATOM 0 HA ASP A 416 2.327 13.111 5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.032 14.156 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.415 13.200 6.905 1.00 0.00 H new ATOM 966 N GLU A 417 2.459 10.667 7.047 1.00 0.00 N ATOM 967 CA GLU A 417 2.944 9.855 8.161 1.00 0.00 C ATOM 968 C GLU A 417 4.266 10.393 8.698 1.00 0.00 C ATOM 969 O GLU A 417 4.914 9.752 9.526 1.00 0.00 O ATOM 970 CB GLU A 417 3.109 8.392 7.741 1.00 0.00 C ATOM 971 CG GLU A 417 1.793 7.652 7.581 1.00 0.00 C ATOM 972 CD GLU A 417 1.987 6.192 7.219 1.00 0.00 C ATOM 973 OE1 GLU A 417 2.614 5.462 8.014 1.00 0.00 O ATOM 974 OE2 GLU A 417 1.513 5.780 6.139 1.00 0.00 O ATOM 0 H GLU A 417 2.578 10.242 6.127 1.00 0.00 H new ATOM 0 HA GLU A 417 2.199 9.910 8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 417 3.655 8.353 6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 417 3.718 7.876 8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.226 7.720 8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 417 1.198 8.139 6.808 1.00 0.00 H new ATOM 981 N THR A 418 4.654 11.576 8.225 1.00 0.00 N ATOM 982 CA THR A 418 5.893 12.215 8.658 1.00 0.00 C ATOM 983 C THR A 418 7.066 11.237 8.633 1.00 0.00 C ATOM 984 O THR A 418 7.772 11.071 9.628 1.00 0.00 O ATOM 985 CB THR A 418 5.754 12.812 10.072 1.00 0.00 C ATOM 986 OG1 THR A 418 5.488 11.776 11.024 1.00 0.00 O ATOM 987 CG2 THR A 418 4.633 13.839 10.112 1.00 0.00 C ATOM 0 H THR A 418 4.124 12.113 7.538 1.00 0.00 H new ATOM 0 HA THR A 418 6.093 13.021 7.952 1.00 0.00 H new ATOM 0 HB THR A 418 6.693 13.303 10.327 1.00 0.00 H new ATOM 0 HG1 THR A 418 5.632 10.902 10.605 1.00 0.00 H new ATOM 0 HG21 THR A 418 4.551 14.249 11.119 1.00 0.00 H new ATOM 0 HG22 THR A 418 4.851 14.643 9.409 1.00 0.00 H new ATOM 0 HG23 THR A 418 3.692 13.362 9.837 1.00 0.00 H new ATOM 995 N ALA A 419 7.264 10.588 7.489 1.00 0.00 N ATOM 996 CA ALA A 419 8.347 9.624 7.335 1.00 0.00 C ATOM 997 C ALA A 419 8.665 9.381 5.864 1.00 0.00 C ATOM 998 O ALA A 419 9.830 9.268 5.484 1.00 0.00 O ATOM 999 CB ALA A 419 7.987 8.315 8.024 1.00 0.00 C ATOM 0 H ALA A 419 6.689 10.713 6.656 1.00 0.00 H new ATOM 0 HA ALA A 419 9.239 10.038 7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 419 8.803 7.603 7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 419 7.819 8.497 9.086 1.00 0.00 H new ATOM 0 HB3 ALA A 419 7.080 7.907 7.578 1.00 0.00 H new ATOM 1005 N LYS A 420 7.623 9.299 5.040 1.00 0.00 N ATOM 1006 CA LYS A 420 7.794 9.070 3.608 1.00 0.00 C ATOM 1007 C LYS A 420 8.211 10.353 2.892 1.00 0.00 C ATOM 1008 O LYS A 420 7.690 10.676 1.822 1.00 0.00 O ATOM 1009 CB LYS A 420 6.501 8.526 2.997 1.00 0.00 C ATOM 1010 CG LYS A 420 6.082 7.177 3.559 1.00 0.00 C ATOM 1011 CD LYS A 420 4.791 6.688 2.924 1.00 0.00 C ATOM 1012 CE LYS A 420 4.400 5.313 3.440 1.00 0.00 C ATOM 1013 NZ LYS A 420 4.224 5.301 4.919 1.00 0.00 N ATOM 0 H LYS A 420 6.652 9.388 5.339 1.00 0.00 H new ATOM 0 HA LYS A 420 8.586 8.333 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 420 5.699 9.245 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 420 6.628 8.437 1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.873 6.448 3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 420 5.951 7.256 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 420 3.990 7.397 3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 420 4.909 6.651 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 420 3.473 4.997 2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 420 5.166 4.590 3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 3.328 4.829 5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 5.014 4.787 5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 4.206 6.278 5.274 1.00 0.00 H new ATOM 1027 N ASP A 421 9.153 11.080 3.486 1.00 0.00 N ATOM 1028 CA ASP A 421 9.644 12.326 2.906 1.00 0.00 C ATOM 1029 C ASP A 421 10.213 12.082 1.512 1.00 0.00 C ATOM 1030 O ASP A 421 10.920 11.101 1.283 1.00 0.00 O ATOM 1031 CB ASP A 421 10.714 12.943 3.811 1.00 0.00 C ATOM 1032 CG ASP A 421 11.215 14.281 3.298 1.00 0.00 C ATOM 1033 OD1 ASP A 421 11.797 14.314 2.194 1.00 0.00 O ATOM 1034 OD2 ASP A 421 11.021 15.294 4.001 1.00 0.00 O ATOM 0 H ASP A 421 9.592 10.827 4.371 1.00 0.00 H new ATOM 0 HA ASP A 421 8.808 13.020 2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 421 10.306 13.073 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 421 11.554 12.253 3.896 1.00 0.00 H new ATOM 1039 N GLY A 422 9.896 12.980 0.584 1.00 0.00 N ATOM 1040 CA GLY A 422 10.380 12.841 -0.778 1.00 0.00 C ATOM 1041 C GLY A 422 10.070 14.054 -1.631 1.00 0.00 C ATOM 1042 O GLY A 422 9.005 14.658 -1.503 1.00 0.00 O ATOM 0 H GLY A 422 9.313 13.800 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 422 11.458 12.678 -0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 422 9.930 11.958 -1.231 1.00 0.00 H new ATOM 1046 N LYS A 423 11.007 14.413 -2.505 1.00 0.00 N ATOM 1047 CA LYS A 423 10.837 15.563 -3.386 1.00 0.00 C ATOM 1048 C LYS A 423 11.873 15.548 -4.507 1.00 0.00 C ATOM 1049 O LYS A 423 12.435 16.585 -4.863 1.00 0.00 O ATOM 1050 CB LYS A 423 10.950 16.864 -2.586 1.00 0.00 C ATOM 1051 CG LYS A 423 12.281 17.020 -1.865 1.00 0.00 C ATOM 1052 CD LYS A 423 12.378 18.344 -1.116 1.00 0.00 C ATOM 1053 CE LYS A 423 11.435 18.400 0.080 1.00 0.00 C ATOM 1054 NZ LYS A 423 10.003 18.459 -0.329 1.00 0.00 N ATOM 0 H LYS A 423 11.893 13.922 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 423 9.845 15.504 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.810 17.709 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 423 10.143 16.903 -1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 423 12.410 16.197 -1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 423 13.094 16.953 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 423 13.403 18.493 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 423 12.147 19.163 -1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 423 11.595 17.523 0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 423 11.673 19.274 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 9.514 19.193 0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.940 18.687 -1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 9.554 17.538 -0.153 1.00 0.00 H new ATOM 1068 N THR A 424 12.117 14.363 -5.062 1.00 0.00 N ATOM 1069 CA THR A 424 13.083 14.209 -6.144 1.00 0.00 C ATOM 1070 C THR A 424 12.648 14.979 -7.387 1.00 0.00 C ATOM 1071 O THR A 424 13.472 15.577 -8.079 1.00 0.00 O ATOM 1072 CB THR A 424 13.286 12.726 -6.513 1.00 0.00 C ATOM 1073 OG1 THR A 424 14.207 12.614 -7.605 1.00 0.00 O ATOM 1074 CG2 THR A 424 11.965 12.070 -6.888 1.00 0.00 C ATOM 0 H THR A 424 11.659 13.497 -4.780 1.00 0.00 H new ATOM 0 HA THR A 424 14.027 14.616 -5.782 1.00 0.00 H new ATOM 0 HB THR A 424 13.691 12.213 -5.641 1.00 0.00 H new ATOM 0 HG1 THR A 424 14.332 11.669 -7.832 1.00 0.00 H new ATOM 0 HG21 THR A 424 12.138 11.025 -7.144 1.00 0.00 H new ATOM 0 HG22 THR A 424 11.277 12.128 -6.044 1.00 0.00 H new ATOM 0 HG23 THR A 424 11.533 12.587 -7.745 1.00 0.00 H new ATOM 1082 N GLY A 425 11.347 14.959 -7.667 1.00 0.00 N ATOM 1083 CA GLY A 425 10.824 15.657 -8.826 1.00 0.00 C ATOM 1084 C GLY A 425 9.308 15.653 -8.868 1.00 0.00 C ATOM 1085 O GLY A 425 8.677 14.619 -8.650 1.00 0.00 O ATOM 0 H GLY A 425 10.646 14.471 -7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 425 11.182 16.687 -8.819 1.00 0.00 H new ATOM 0 HA3 GLY A 425 11.211 15.191 -9.732 1.00 0.00 H new ATOM 1089 N ASN A 426 8.725 16.815 -9.145 1.00 0.00 N ATOM 1090 CA ASN A 426 7.275 16.949 -9.211 1.00 0.00 C ATOM 1091 C ASN A 426 6.702 16.087 -10.334 1.00 0.00 C ATOM 1092 O ASN A 426 7.183 16.127 -11.467 1.00 0.00 O ATOM 1093 CB ASN A 426 6.894 18.416 -9.424 1.00 0.00 C ATOM 1094 CG ASN A 426 5.399 18.649 -9.336 1.00 0.00 C ATOM 1095 OD1 ASN A 426 4.625 18.109 -10.125 1.00 0.00 O ATOM 1096 ND2 ASN A 426 4.986 19.459 -8.369 1.00 0.00 N ATOM 0 H ASN A 426 9.236 17.679 -9.328 1.00 0.00 H new ATOM 0 HA ASN A 426 6.853 16.605 -8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 426 7.398 19.030 -8.678 1.00 0.00 H new ATOM 0 HB3 ASN A 426 7.252 18.742 -10.400 1.00 0.00 H new ATOM 0 HD21 ASN A 426 3.991 19.655 -8.258 1.00 0.00 H new ATOM 0 HD22 ASN A 426 5.663 19.885 -7.737 1.00 0.00 H new ATOM 1103 N THR A 427 5.675 15.305 -10.010 1.00 0.00 N ATOM 1104 CA THR A 427 5.038 14.430 -10.989 1.00 0.00 C ATOM 1105 C THR A 427 4.318 15.236 -12.067 1.00 0.00 C ATOM 1106 O THR A 427 4.529 15.019 -13.260 1.00 0.00 O ATOM 1107 CB THR A 427 4.031 13.477 -10.316 1.00 0.00 C ATOM 1108 OG1 THR A 427 4.692 12.693 -9.317 1.00 0.00 O ATOM 1109 CG2 THR A 427 3.383 12.556 -11.341 1.00 0.00 C ATOM 0 H THR A 427 5.267 15.260 -9.076 1.00 0.00 H new ATOM 0 HA THR A 427 5.832 13.843 -11.451 1.00 0.00 H new ATOM 0 HB THR A 427 3.252 14.081 -9.850 1.00 0.00 H new ATOM 0 HG1 THR A 427 4.045 12.091 -8.893 1.00 0.00 H new ATOM 0 HG21 THR A 427 2.677 11.894 -10.840 1.00 0.00 H new ATOM 0 HG22 THR A 427 2.855 13.153 -12.085 1.00 0.00 H new ATOM 0 HG23 THR A 427 4.152 11.961 -11.833 1.00 0.00 H new ATOM 1117 N ASN A 428 3.469 16.168 -11.634 1.00 0.00 N ATOM 1118 CA ASN A 428 2.716 17.012 -12.554 1.00 0.00 C ATOM 1119 C ASN A 428 1.861 18.016 -11.789 1.00 0.00 C ATOM 1120 O ASN A 428 1.833 19.202 -12.118 1.00 0.00 O ATOM 1121 CB ASN A 428 1.826 16.160 -13.463 1.00 0.00 C ATOM 1122 CG ASN A 428 1.048 16.998 -14.459 1.00 0.00 C ATOM 1123 OD1 ASN A 428 1.630 17.705 -15.281 1.00 0.00 O ATOM 1124 ND2 ASN A 428 -0.276 16.923 -14.388 1.00 0.00 N ATOM 0 H ASN A 428 3.287 16.356 -10.648 1.00 0.00 H new ATOM 0 HA ASN A 428 3.431 17.557 -13.170 1.00 0.00 H new ATOM 0 HB2 ASN A 428 2.443 15.441 -14.001 1.00 0.00 H new ATOM 0 HB3 ASN A 428 1.129 15.587 -12.851 1.00 0.00 H new ATOM 0 HD21 ASN A 428 -0.853 17.465 -15.031 1.00 0.00 H new ATOM 0 HD22 ASN A 428 -0.716 16.323 -13.690 1.00 0.00 H new ATOM 1131 N THR A 429 1.163 17.531 -10.765 1.00 0.00 N ATOM 1132 CA THR A 429 0.306 18.384 -9.950 1.00 0.00 C ATOM 1133 C THR A 429 1.127 19.411 -9.177 1.00 0.00 C ATOM 1134 O THR A 429 2.329 19.553 -9.400 1.00 0.00 O ATOM 1135 CB THR A 429 -0.522 17.554 -8.951 1.00 0.00 C ATOM 1136 OG1 THR A 429 0.350 16.827 -8.076 1.00 0.00 O ATOM 1137 CG2 THR A 429 -1.439 16.585 -9.680 1.00 0.00 C ATOM 0 H THR A 429 1.175 16.551 -10.481 1.00 0.00 H new ATOM 0 HA THR A 429 -0.368 18.900 -10.633 1.00 0.00 H new ATOM 0 HB THR A 429 -1.136 18.239 -8.366 1.00 0.00 H new ATOM 0 HG1 THR A 429 -0.140 16.082 -7.671 1.00 0.00 H new ATOM 0 HG21 THR A 429 -2.013 16.010 -8.953 1.00 0.00 H new ATOM 0 HG22 THR A 429 -2.121 17.143 -10.322 1.00 0.00 H new ATOM 0 HG23 THR A 429 -0.841 15.906 -10.288 1.00 0.00 H new ATOM 1145 N THR A 430 0.470 20.122 -8.266 1.00 0.00 N ATOM 1146 CA THR A 430 1.140 21.132 -7.457 1.00 0.00 C ATOM 1147 C THR A 430 1.867 20.485 -6.276 1.00 0.00 C ATOM 1148 O THR A 430 1.735 20.922 -5.132 1.00 0.00 O ATOM 1149 CB THR A 430 0.140 22.185 -6.937 1.00 0.00 C ATOM 1150 OG1 THR A 430 -0.673 22.657 -8.018 1.00 0.00 O ATOM 1151 CG2 THR A 430 0.866 23.364 -6.304 1.00 0.00 C ATOM 0 H THR A 430 -0.525 20.017 -8.070 1.00 0.00 H new ATOM 0 HA THR A 430 1.869 21.631 -8.095 1.00 0.00 H new ATOM 0 HB THR A 430 -0.485 21.713 -6.179 1.00 0.00 H new ATOM 0 HG1 THR A 430 -1.308 23.324 -7.683 1.00 0.00 H new ATOM 0 HG21 THR A 430 0.137 24.091 -5.946 1.00 0.00 H new ATOM 0 HG22 THR A 430 1.469 23.013 -5.467 1.00 0.00 H new ATOM 0 HG23 THR A 430 1.513 23.834 -7.045 1.00 0.00 H new ATOM 1159 N GLY A 431 2.632 19.436 -6.563 1.00 0.00 N ATOM 1160 CA GLY A 431 3.366 18.744 -5.518 1.00 0.00 C ATOM 1161 C GLY A 431 2.453 18.133 -4.471 1.00 0.00 C ATOM 1162 O GLY A 431 2.684 18.290 -3.272 1.00 0.00 O ATOM 0 H GLY A 431 2.757 19.053 -7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 431 3.976 17.959 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 431 4.050 19.443 -5.036 1.00 0.00 H new ATOM 1166 N SER A 432 1.413 17.440 -4.926 1.00 0.00 N ATOM 1167 CA SER A 432 0.456 16.802 -4.024 1.00 0.00 C ATOM 1168 C SER A 432 1.035 15.523 -3.419 1.00 0.00 C ATOM 1169 O SER A 432 0.537 14.425 -3.676 1.00 0.00 O ATOM 1170 CB SER A 432 -0.843 16.489 -4.768 1.00 0.00 C ATOM 1171 OG SER A 432 -1.429 17.669 -5.292 1.00 0.00 O ATOM 0 H SER A 432 1.210 17.305 -5.916 1.00 0.00 H new ATOM 0 HA SER A 432 0.245 17.497 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 432 -0.642 15.789 -5.579 1.00 0.00 H new ATOM 0 HB3 SER A 432 -1.544 16.001 -4.092 1.00 0.00 H new ATOM 0 HG SER A 432 -2.257 17.441 -5.764 1.00 0.00 H new ATOM 1177 N SER A 433 2.086 15.671 -2.617 1.00 0.00 N ATOM 1178 CA SER A 433 2.734 14.531 -1.974 1.00 0.00 C ATOM 1179 C SER A 433 3.202 13.512 -3.009 1.00 0.00 C ATOM 1180 O SER A 433 3.399 13.904 -4.177 1.00 0.00 O ATOM 1181 CB SER A 433 1.781 13.868 -0.977 1.00 0.00 C ATOM 1182 OG SER A 433 1.377 14.782 0.028 1.00 0.00 O ATOM 1183 OXT SER A 433 3.370 12.330 -2.640 1.00 0.00 O ATOM 0 H SER A 433 2.509 16.573 -2.396 1.00 0.00 H new ATOM 0 HA SER A 433 3.608 14.900 -1.437 1.00 0.00 H new ATOM 0 HB2 SER A 433 0.904 13.490 -1.503 1.00 0.00 H new ATOM 0 HB3 SER A 433 2.271 13.010 -0.517 1.00 0.00 H new ATOM 0 HG SER A 433 0.767 14.334 0.651 1.00 0.00 H new TER 1189 SER A 433