USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=29 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 14:sc= 0.694 USER MOD Set 2.1: A 394 LYS NZ :NH3+ -124:sc= -4.79! (180deg=-7.68!) USER MOD Set 2.2: A 396 HIS : no HD1:sc= -2.84! C(o=-7.6!,f=-7.7!) USER MOD Set 2.3: A 405 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 380 SER OG : rot -34:sc= -0.247! USER MOD Set 4.1: A 373 GLN : amide:sc= 0.0148 K(o=0.032,f=-0.54) USER MOD Set 4.2: A 391 SER OG : rot -179:sc= 0.0175 USER MOD Set 5.1: A 372 GLN :FLIP amide:sc= -0.228 F(o=-1.6!,f=-0.33) USER MOD Set 5.2: A 428 ASN : amide:sc= -0.104 K(o=-0.33,f=-2.5!) USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.013) USER MOD Single : A 357 MET CE :methyl -158:sc= -0.167 (180deg=-0.818) USER MOD Single : A 362 THR OG1 : rot 25:sc= 0.105 USER MOD Single : A 363 GLN : amide:sc= -2.46 X(o=-2.5,f=-2.1) USER MOD Single : A 364 LYS NZ :NH3+ 167:sc= -0.0134 (180deg=-0.228) USER MOD Single : A 365 HIS : no HE2:sc= 0.585 K(o=0.59,f=-3.5!) USER MOD Single : A 366 LYS NZ :NH3+ -125:sc= -0.83 (180deg=-1.58) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 382 ASN :FLIP amide:sc= -3.06! C(o=-8.2!,f=-3.1!) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -128:sc= -0.0374 (180deg=-2.05!) USER MOD Single : A 386 GLN : amide:sc= 0.0888 X(o=0.089,f=0) USER MOD Single : A 387 ASN :FLIP amide:sc= -0.389 F(o=-1.6,f=-0.39) USER MOD Single : A 390 LYS NZ :NH3+ -130:sc= 0.0761 (180deg=-0.233) USER MOD Single : A 397 ASN :FLIP amide:sc= -0.685 F(o=-6.7!,f=-0.69) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.1 F(o=-3.2!,f=-0.1) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc=-0.000173 (180deg=-0.000173) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 168:sc= -0.0442 (180deg=-0.215) USER MOD Single : A 412 LYS NZ :NH3+ 136:sc= -0.092 (180deg=-0.547) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ -141:sc= -3.76! (180deg=-5.75!) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 427 THR OG1 : rot 26:sc= 0.071 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 2.819 1.131 -28.017 1.00 0.00 N ATOM 2 CA GLY A 354 3.440 -0.222 -28.047 1.00 0.00 C ATOM 3 C GLY A 354 3.811 -0.719 -26.664 1.00 0.00 C ATOM 4 O GLY A 354 4.389 0.018 -25.866 1.00 0.00 O ATOM 0 HA2 GLY A 354 2.748 -0.926 -28.509 1.00 0.00 H new ATOM 0 HA3 GLY A 354 4.333 -0.195 -28.672 1.00 0.00 H new ATOM 10 N SER A 355 3.478 -1.975 -26.382 1.00 0.00 N ATOM 11 CA SER A 355 3.779 -2.576 -25.088 1.00 0.00 C ATOM 12 C SER A 355 5.284 -2.610 -24.843 1.00 0.00 C ATOM 13 O SER A 355 6.063 -2.902 -25.750 1.00 0.00 O ATOM 14 CB SER A 355 3.206 -3.993 -25.016 1.00 0.00 C ATOM 15 OG SER A 355 3.487 -4.595 -23.764 1.00 0.00 O ATOM 0 H SER A 355 2.999 -2.597 -27.034 1.00 0.00 H new ATOM 0 HA SER A 355 3.316 -1.965 -24.313 1.00 0.00 H new ATOM 0 HB2 SER A 355 2.128 -3.961 -25.174 1.00 0.00 H new ATOM 0 HB3 SER A 355 3.627 -4.600 -25.817 1.00 0.00 H new ATOM 0 HG SER A 355 3.109 -5.499 -23.743 1.00 0.00 H new ATOM 21 N HIS A 356 5.684 -2.308 -23.611 1.00 0.00 N ATOM 22 CA HIS A 356 7.096 -2.303 -23.245 1.00 0.00 C ATOM 23 C HIS A 356 7.725 -3.669 -23.501 1.00 0.00 C ATOM 24 O HIS A 356 7.166 -4.700 -23.121 1.00 0.00 O ATOM 25 CB HIS A 356 7.258 -1.922 -21.772 1.00 0.00 C ATOM 26 CG HIS A 356 6.646 -0.600 -21.425 1.00 0.00 C ATOM 27 ND1 HIS A 356 7.021 0.586 -22.024 1.00 0.00 N ATOM 28 CD2 HIS A 356 5.677 -0.279 -20.536 1.00 0.00 C ATOM 29 CE1 HIS A 356 6.310 1.577 -21.518 1.00 0.00 C ATOM 30 NE2 HIS A 356 5.487 1.078 -20.614 1.00 0.00 N ATOM 0 H HIS A 356 5.050 -2.064 -22.850 1.00 0.00 H new ATOM 0 HA HIS A 356 7.607 -1.565 -23.863 1.00 0.00 H new ATOM 0 HB2 HIS A 356 6.805 -2.696 -21.153 1.00 0.00 H new ATOM 0 HB3 HIS A 356 8.320 -1.897 -21.526 1.00 0.00 H new ATOM 0 HD2 HIS A 356 5.151 -0.963 -19.886 1.00 0.00 H new ATOM 0 HE1 HIS A 356 6.388 2.618 -21.796 1.00 0.00 H new ATOM 0 HE2 HIS A 356 4.818 1.615 -20.062 1.00 0.00 H new ATOM 39 N MET A 357 8.885 -3.673 -24.148 1.00 0.00 N ATOM 40 CA MET A 357 9.585 -4.914 -24.456 1.00 0.00 C ATOM 41 C MET A 357 9.966 -5.651 -23.178 1.00 0.00 C ATOM 42 O MET A 357 9.762 -6.859 -23.060 1.00 0.00 O ATOM 43 CB MET A 357 10.835 -4.627 -25.291 1.00 0.00 C ATOM 44 CG MET A 357 11.579 -5.880 -25.723 1.00 0.00 C ATOM 45 SD MET A 357 13.009 -5.516 -26.758 1.00 0.00 S ATOM 46 CE MET A 357 12.224 -4.706 -28.149 1.00 0.00 C ATOM 0 H MET A 357 9.361 -2.830 -24.470 1.00 0.00 H new ATOM 0 HA MET A 357 8.914 -5.549 -25.033 1.00 0.00 H new ATOM 0 HB2 MET A 357 10.548 -4.061 -26.177 1.00 0.00 H new ATOM 0 HB3 MET A 357 11.510 -3.995 -24.714 1.00 0.00 H new ATOM 0 HG2 MET A 357 11.905 -6.427 -24.839 1.00 0.00 H new ATOM 0 HG3 MET A 357 10.897 -6.533 -26.268 1.00 0.00 H new ATOM 0 HE1 MET A 357 12.875 -4.769 -29.021 1.00 0.00 H new ATOM 0 HE2 MET A 357 11.275 -5.196 -28.368 1.00 0.00 H new ATOM 0 HE3 MET A 357 12.044 -3.659 -27.906 1.00 0.00 H new ATOM 56 N LEU A 358 10.517 -4.913 -22.220 1.00 0.00 N ATOM 57 CA LEU A 358 10.924 -5.491 -20.944 1.00 0.00 C ATOM 58 C LEU A 358 9.712 -6.014 -20.180 1.00 0.00 C ATOM 59 O LEU A 358 8.699 -5.324 -20.059 1.00 0.00 O ATOM 60 CB LEU A 358 11.668 -4.456 -20.091 1.00 0.00 C ATOM 61 CG LEU A 358 13.043 -4.024 -20.616 1.00 0.00 C ATOM 62 CD1 LEU A 358 12.913 -3.271 -21.932 1.00 0.00 C ATOM 63 CD2 LEU A 358 13.756 -3.167 -19.583 1.00 0.00 C ATOM 0 H LEU A 358 10.692 -3.912 -22.303 1.00 0.00 H new ATOM 0 HA LEU A 358 11.597 -6.323 -21.152 1.00 0.00 H new ATOM 0 HB2 LEU A 358 11.040 -3.570 -19.999 1.00 0.00 H new ATOM 0 HB3 LEU A 358 11.794 -4.863 -19.088 1.00 0.00 H new ATOM 0 HG LEU A 358 13.635 -4.921 -20.797 1.00 0.00 H new ATOM 0 HD11 LEU A 358 13.902 -2.976 -22.282 1.00 0.00 H new ATOM 0 HD12 LEU A 358 12.442 -3.915 -22.675 1.00 0.00 H new ATOM 0 HD13 LEU A 358 12.301 -2.381 -21.783 1.00 0.00 H new ATOM 0 HD21 LEU A 358 14.730 -2.868 -19.969 1.00 0.00 H new ATOM 0 HD22 LEU A 358 13.160 -2.279 -19.373 1.00 0.00 H new ATOM 0 HD23 LEU A 358 13.889 -3.739 -18.665 1.00 0.00 H new ATOM 75 N GLU A 359 9.823 -7.234 -19.663 1.00 0.00 N ATOM 76 CA GLU A 359 8.734 -7.843 -18.908 1.00 0.00 C ATOM 77 C GLU A 359 8.439 -7.038 -17.646 1.00 0.00 C ATOM 78 O GLU A 359 9.341 -6.742 -16.864 1.00 0.00 O ATOM 79 CB GLU A 359 9.083 -9.287 -18.540 1.00 0.00 C ATOM 80 CG GLU A 359 7.974 -10.012 -17.792 1.00 0.00 C ATOM 81 CD GLU A 359 8.345 -11.440 -17.436 1.00 0.00 C ATOM 82 OE1 GLU A 359 9.469 -11.864 -17.774 1.00 0.00 O ATOM 83 OE2 GLU A 359 7.510 -12.132 -16.818 1.00 0.00 O ATOM 0 H GLU A 359 10.654 -7.819 -19.753 1.00 0.00 H new ATOM 0 HA GLU A 359 7.843 -7.845 -19.535 1.00 0.00 H new ATOM 0 HB2 GLU A 359 9.316 -9.839 -19.451 1.00 0.00 H new ATOM 0 HB3 GLU A 359 9.984 -9.289 -17.927 1.00 0.00 H new ATOM 0 HG2 GLU A 359 7.738 -9.464 -16.880 1.00 0.00 H new ATOM 0 HG3 GLU A 359 7.072 -10.017 -18.403 1.00 0.00 H new ATOM 90 N VAL A 360 7.171 -6.687 -17.455 1.00 0.00 N ATOM 91 CA VAL A 360 6.760 -5.914 -16.289 1.00 0.00 C ATOM 92 C VAL A 360 6.944 -6.718 -15.005 1.00 0.00 C ATOM 93 O VAL A 360 6.581 -7.894 -14.942 1.00 0.00 O ATOM 94 CB VAL A 360 5.291 -5.461 -16.404 1.00 0.00 C ATOM 95 CG1 VAL A 360 4.367 -6.661 -16.543 1.00 0.00 C ATOM 96 CG2 VAL A 360 4.898 -4.610 -15.203 1.00 0.00 C ATOM 0 H VAL A 360 6.411 -6.926 -18.092 1.00 0.00 H new ATOM 0 HA VAL A 360 7.397 -5.031 -16.251 1.00 0.00 H new ATOM 0 HB VAL A 360 5.189 -4.851 -17.302 1.00 0.00 H new ATOM 0 HG11 VAL A 360 3.335 -6.318 -16.623 1.00 0.00 H new ATOM 0 HG12 VAL A 360 4.633 -7.223 -17.438 1.00 0.00 H new ATOM 0 HG13 VAL A 360 4.470 -7.303 -15.668 1.00 0.00 H new ATOM 0 HG21 VAL A 360 3.858 -4.300 -15.302 1.00 0.00 H new ATOM 0 HG22 VAL A 360 5.018 -5.193 -14.290 1.00 0.00 H new ATOM 0 HG23 VAL A 360 5.537 -3.728 -15.157 1.00 0.00 H new ATOM 106 N LEU A 361 7.513 -6.073 -13.987 1.00 0.00 N ATOM 107 CA LEU A 361 7.757 -6.715 -12.697 1.00 0.00 C ATOM 108 C LEU A 361 8.744 -7.870 -12.850 1.00 0.00 C ATOM 109 O LEU A 361 8.594 -8.718 -13.730 1.00 0.00 O ATOM 110 CB LEU A 361 6.433 -7.203 -12.087 1.00 0.00 C ATOM 111 CG LEU A 361 6.516 -7.768 -10.663 1.00 0.00 C ATOM 112 CD1 LEU A 361 5.136 -7.791 -10.022 1.00 0.00 C ATOM 113 CD2 LEU A 361 7.109 -9.171 -10.668 1.00 0.00 C ATOM 0 H LEU A 361 7.815 -5.100 -14.032 1.00 0.00 H new ATOM 0 HA LEU A 361 8.198 -5.983 -12.021 1.00 0.00 H new ATOM 0 HB2 LEU A 361 5.728 -6.372 -12.086 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.018 -7.972 -12.738 1.00 0.00 H new ATOM 0 HG LEU A 361 7.169 -7.119 -10.080 1.00 0.00 H new ATOM 0 HD11 LEU A 361 5.211 -8.194 -9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 361 4.738 -6.777 -9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 361 4.470 -8.418 -10.615 1.00 0.00 H new ATOM 0 HD21 LEU A 361 7.157 -9.549 -9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 361 6.482 -9.829 -11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 361 8.113 -9.140 -11.091 1.00 0.00 H new ATOM 125 N THR A 362 9.754 -7.901 -11.983 1.00 0.00 N ATOM 126 CA THR A 362 10.768 -8.953 -12.022 1.00 0.00 C ATOM 127 C THR A 362 11.366 -9.190 -10.639 1.00 0.00 C ATOM 128 O THR A 362 11.812 -8.255 -9.975 1.00 0.00 O ATOM 129 CB THR A 362 11.912 -8.608 -13.000 1.00 0.00 C ATOM 130 OG1 THR A 362 12.480 -7.337 -12.662 1.00 0.00 O ATOM 131 CG2 THR A 362 11.421 -8.580 -14.441 1.00 0.00 C ATOM 0 H THR A 362 9.892 -7.210 -11.245 1.00 0.00 H new ATOM 0 HA THR A 362 10.264 -9.856 -12.366 1.00 0.00 H new ATOM 0 HB THR A 362 12.671 -9.385 -12.912 1.00 0.00 H new ATOM 0 HG1 THR A 362 12.322 -7.150 -11.713 1.00 0.00 H new ATOM 0 HG21 THR A 362 12.251 -8.334 -15.103 1.00 0.00 H new ATOM 0 HG22 THR A 362 11.021 -9.558 -14.708 1.00 0.00 H new ATOM 0 HG23 THR A 362 10.639 -7.828 -14.544 1.00 0.00 H new ATOM 139 N GLN A 363 11.367 -10.449 -10.214 1.00 0.00 N ATOM 140 CA GLN A 363 11.905 -10.822 -8.908 1.00 0.00 C ATOM 141 C GLN A 363 13.430 -10.780 -8.894 1.00 0.00 C ATOM 142 O GLN A 363 14.080 -11.042 -9.906 1.00 0.00 O ATOM 143 CB GLN A 363 11.401 -12.212 -8.505 1.00 0.00 C ATOM 144 CG GLN A 363 11.675 -13.303 -9.533 1.00 0.00 C ATOM 145 CD GLN A 363 13.139 -13.685 -9.619 1.00 0.00 C ATOM 146 OE1 GLN A 363 13.741 -14.106 -8.630 1.00 0.00 O ATOM 147 NE2 GLN A 363 13.720 -13.547 -10.805 1.00 0.00 N ATOM 0 H GLN A 363 11.000 -11.231 -10.756 1.00 0.00 H new ATOM 0 HA GLN A 363 11.551 -10.092 -8.180 1.00 0.00 H new ATOM 0 HB2 GLN A 363 11.866 -12.494 -7.561 1.00 0.00 H new ATOM 0 HB3 GLN A 363 10.327 -12.158 -8.327 1.00 0.00 H new ATOM 0 HG2 GLN A 363 11.089 -14.187 -9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 363 11.336 -12.965 -10.512 1.00 0.00 H new ATOM 0 HE21 GLN A 363 13.184 -13.194 -11.598 1.00 0.00 H new ATOM 0 HE22 GLN A 363 14.703 -13.794 -10.923 1.00 0.00 H new ATOM 156 N LYS A 364 13.992 -10.452 -7.733 1.00 0.00 N ATOM 157 CA LYS A 364 15.440 -10.379 -7.566 1.00 0.00 C ATOM 158 C LYS A 364 15.826 -10.679 -6.121 1.00 0.00 C ATOM 159 O LYS A 364 15.562 -9.885 -5.219 1.00 0.00 O ATOM 160 CB LYS A 364 15.963 -8.993 -7.962 1.00 0.00 C ATOM 161 CG LYS A 364 15.919 -8.719 -9.457 1.00 0.00 C ATOM 162 CD LYS A 364 16.840 -9.657 -10.224 1.00 0.00 C ATOM 163 CE LYS A 364 16.806 -9.374 -11.718 1.00 0.00 C ATOM 164 NZ LYS A 364 17.283 -7.999 -12.035 1.00 0.00 N ATOM 0 H LYS A 364 13.462 -10.231 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 364 15.892 -11.126 -8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 364 15.375 -8.233 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 364 16.991 -8.891 -7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 364 14.897 -8.834 -9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 364 16.210 -7.686 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 364 17.860 -9.549 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 364 16.543 -10.690 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 364 17.427 -10.103 -12.239 1.00 0.00 H new ATOM 0 HE3 LYS A 364 15.788 -9.499 -12.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 17.454 -7.918 -13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 16.562 -7.307 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 18.167 -7.811 -11.520 1.00 0.00 H new ATOM 178 N HIS A 365 16.455 -11.834 -5.914 1.00 0.00 N ATOM 179 CA HIS A 365 16.884 -12.255 -4.582 1.00 0.00 C ATOM 180 C HIS A 365 15.714 -12.197 -3.600 1.00 0.00 C ATOM 181 O HIS A 365 15.888 -11.876 -2.424 1.00 0.00 O ATOM 182 CB HIS A 365 18.036 -11.369 -4.096 1.00 0.00 C ATOM 183 CG HIS A 365 18.879 -11.996 -3.024 1.00 0.00 C ATOM 184 ND1 HIS A 365 18.391 -12.350 -1.783 1.00 0.00 N ATOM 185 CD2 HIS A 365 20.191 -12.335 -3.020 1.00 0.00 C ATOM 186 CE1 HIS A 365 19.366 -12.878 -1.063 1.00 0.00 C ATOM 187 NE2 HIS A 365 20.467 -12.880 -1.791 1.00 0.00 N ATOM 0 H HIS A 365 16.680 -12.498 -6.655 1.00 0.00 H new ATOM 0 HA HIS A 365 17.234 -13.286 -4.637 1.00 0.00 H new ATOM 0 HB2 HIS A 365 18.672 -11.120 -4.945 1.00 0.00 H new ATOM 0 HB3 HIS A 365 17.626 -10.432 -3.720 1.00 0.00 H new ATOM 0 HD1 HIS A 365 17.428 -12.224 -1.470 1.00 0.00 H new ATOM 0 HD2 HIS A 365 20.890 -12.201 -3.833 1.00 0.00 H new ATOM 0 HE1 HIS A 365 19.277 -13.245 -0.051 1.00 0.00 H new ATOM 196 N LYS A 366 14.519 -12.514 -4.097 1.00 0.00 N ATOM 197 CA LYS A 366 13.308 -12.505 -3.277 1.00 0.00 C ATOM 198 C LYS A 366 12.082 -12.835 -4.128 1.00 0.00 C ATOM 199 O LYS A 366 11.958 -12.361 -5.257 1.00 0.00 O ATOM 200 CB LYS A 366 13.119 -11.143 -2.601 1.00 0.00 C ATOM 201 CG LYS A 366 12.926 -9.992 -3.575 1.00 0.00 C ATOM 202 CD LYS A 366 12.797 -8.659 -2.854 1.00 0.00 C ATOM 203 CE LYS A 366 11.608 -8.643 -1.905 1.00 0.00 C ATOM 204 NZ LYS A 366 10.324 -8.884 -2.618 1.00 0.00 N ATOM 0 H LYS A 366 14.363 -12.782 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 366 13.419 -13.266 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 366 12.255 -11.194 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 366 13.988 -10.935 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 366 13.770 -9.953 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 366 12.033 -10.169 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 366 13.711 -8.458 -2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 366 12.689 -7.859 -3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 366 11.746 -9.405 -1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 366 11.564 -7.681 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 9.663 -8.107 -2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 10.499 -8.931 -3.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 9.911 -9.783 -2.296 1.00 0.00 H new ATOM 218 N PRO A 367 11.153 -13.653 -3.598 1.00 0.00 N ATOM 219 CA PRO A 367 9.940 -14.033 -4.321 1.00 0.00 C ATOM 220 C PRO A 367 8.906 -12.911 -4.357 1.00 0.00 C ATOM 221 O PRO A 367 8.488 -12.409 -3.314 1.00 0.00 O ATOM 222 CB PRO A 367 9.416 -15.220 -3.525 1.00 0.00 C ATOM 223 CG PRO A 367 9.895 -14.993 -2.138 1.00 0.00 C ATOM 224 CD PRO A 367 11.207 -14.264 -2.255 1.00 0.00 C ATOM 0 HA PRO A 367 10.143 -14.260 -5.368 1.00 0.00 H new ATOM 0 HB2 PRO A 367 8.328 -15.272 -3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 367 9.794 -16.161 -3.924 1.00 0.00 H new ATOM 0 HG2 PRO A 367 9.174 -14.406 -1.569 1.00 0.00 H new ATOM 0 HG3 PRO A 367 10.022 -15.939 -1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 367 11.316 -13.509 -1.476 1.00 0.00 H new ATOM 0 HD3 PRO A 367 12.053 -14.945 -2.159 1.00 0.00 H new ATOM 232 N ALA A 368 8.498 -12.532 -5.567 1.00 0.00 N ATOM 233 CA ALA A 368 7.510 -11.474 -5.762 1.00 0.00 C ATOM 234 C ALA A 368 7.988 -10.139 -5.193 1.00 0.00 C ATOM 235 O ALA A 368 8.244 -10.015 -3.996 1.00 0.00 O ATOM 236 CB ALA A 368 6.182 -11.869 -5.132 1.00 0.00 C ATOM 0 H ALA A 368 8.840 -12.947 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 368 7.374 -11.345 -6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 368 5.455 -11.071 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 368 5.818 -12.786 -5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 368 6.321 -12.033 -4.063 1.00 0.00 H new ATOM 242 N GLU A 369 8.093 -9.135 -6.061 1.00 0.00 N ATOM 243 CA GLU A 369 8.528 -7.806 -5.645 1.00 0.00 C ATOM 244 C GLU A 369 7.385 -7.041 -4.996 1.00 0.00 C ATOM 245 O GLU A 369 7.548 -6.435 -3.937 1.00 0.00 O ATOM 246 CB GLU A 369 9.072 -7.021 -6.840 1.00 0.00 C ATOM 247 CG GLU A 369 10.318 -7.632 -7.458 1.00 0.00 C ATOM 248 CD GLU A 369 11.512 -7.619 -6.521 1.00 0.00 C ATOM 249 OE1 GLU A 369 11.381 -7.091 -5.395 1.00 0.00 O ATOM 250 OE2 GLU A 369 12.580 -8.131 -6.914 1.00 0.00 O ATOM 0 H GLU A 369 7.883 -9.218 -7.056 1.00 0.00 H new ATOM 0 HA GLU A 369 9.325 -7.927 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 369 8.296 -6.953 -7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 369 9.297 -6.003 -6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 369 10.105 -8.660 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 369 10.571 -7.087 -8.367 1.00 0.00 H new ATOM 257 N SER A 370 6.230 -7.082 -5.648 1.00 0.00 N ATOM 258 CA SER A 370 5.031 -6.399 -5.162 1.00 0.00 C ATOM 259 C SER A 370 5.213 -4.884 -5.176 1.00 0.00 C ATOM 260 O SER A 370 6.227 -4.362 -4.713 1.00 0.00 O ATOM 261 CB SER A 370 4.677 -6.871 -3.749 1.00 0.00 C ATOM 262 OG SER A 370 4.403 -8.262 -3.729 1.00 0.00 O ATOM 0 H SER A 370 6.095 -7.586 -6.524 1.00 0.00 H new ATOM 0 HA SER A 370 4.212 -6.651 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 370 5.501 -6.650 -3.071 1.00 0.00 H new ATOM 0 HB3 SER A 370 3.809 -6.321 -3.385 1.00 0.00 H new ATOM 0 HG SER A 370 4.181 -8.539 -2.815 1.00 0.00 H new ATOM 268 N GLN A 371 4.219 -4.184 -5.715 1.00 0.00 N ATOM 269 CA GLN A 371 4.261 -2.728 -5.796 1.00 0.00 C ATOM 270 C GLN A 371 4.196 -2.097 -4.408 1.00 0.00 C ATOM 271 O GLN A 371 3.385 -2.495 -3.571 1.00 0.00 O ATOM 272 CB GLN A 371 3.103 -2.212 -6.656 1.00 0.00 C ATOM 273 CG GLN A 371 3.067 -0.698 -6.787 1.00 0.00 C ATOM 274 CD GLN A 371 1.911 -0.213 -7.640 1.00 0.00 C ATOM 275 OE1 GLN A 371 0.747 -0.464 -7.329 1.00 0.00 O ATOM 276 NE2 GLN A 371 2.228 0.489 -8.722 1.00 0.00 N ATOM 0 H GLN A 371 3.373 -4.603 -6.103 1.00 0.00 H new ATOM 0 HA GLN A 371 5.207 -2.445 -6.258 1.00 0.00 H new ATOM 0 HB2 GLN A 371 3.176 -2.652 -7.650 1.00 0.00 H new ATOM 0 HB3 GLN A 371 2.162 -2.553 -6.225 1.00 0.00 H new ATOM 0 HG2 GLN A 371 2.993 -0.253 -5.795 1.00 0.00 H new ATOM 0 HG3 GLN A 371 4.005 -0.352 -7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 371 3.207 0.673 -8.942 1.00 0.00 H new ATOM 0 HE22 GLN A 371 1.493 0.844 -9.333 1.00 0.00 H new ATOM 285 N GLN A 372 5.053 -1.106 -4.176 1.00 0.00 N ATOM 286 CA GLN A 372 5.093 -0.411 -2.894 1.00 0.00 C ATOM 287 C GLN A 372 3.774 0.311 -2.631 1.00 0.00 C ATOM 288 O GLN A 372 3.185 0.893 -3.541 1.00 0.00 O ATOM 289 CB GLN A 372 6.249 0.592 -2.874 1.00 0.00 C ATOM 290 CG GLN A 372 6.163 1.640 -3.973 1.00 0.00 C ATOM 291 CD GLN A 372 7.328 2.616 -3.960 1.00 0.00 C ATOM 292 OE1 GLN A 372 8.250 2.445 -3.017 1.00 0.00 O flip ATOM 293 NE2 GLN A 372 7.398 3.518 -4.795 1.00 0.00 N flip ATOM 0 H GLN A 372 5.729 -0.767 -4.860 1.00 0.00 H new ATOM 0 HA GLN A 372 5.247 -1.150 -2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 372 6.268 1.093 -1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 372 7.190 0.051 -2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 372 6.126 1.140 -4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 372 5.231 2.195 -3.865 1.00 0.00 H new ATOM 0 HE21 GLN A 372 6.670 3.616 -5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 372 8.184 4.168 -4.779 1.00 0.00 H new ATOM 302 N GLN A 373 3.312 0.263 -1.385 1.00 0.00 N ATOM 303 CA GLN A 373 2.059 0.912 -1.014 1.00 0.00 C ATOM 304 C GLN A 373 2.134 2.418 -1.245 1.00 0.00 C ATOM 305 O GLN A 373 2.866 3.128 -0.556 1.00 0.00 O ATOM 306 CB GLN A 373 1.728 0.626 0.453 1.00 0.00 C ATOM 307 CG GLN A 373 0.436 1.274 0.925 1.00 0.00 C ATOM 308 CD GLN A 373 0.134 0.975 2.380 1.00 0.00 C ATOM 309 OE1 GLN A 373 -0.007 -0.184 2.770 1.00 0.00 O ATOM 310 NE2 GLN A 373 0.031 2.021 3.191 1.00 0.00 N ATOM 0 H GLN A 373 3.784 -0.216 -0.618 1.00 0.00 H new ATOM 0 HA GLN A 373 1.269 0.506 -1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.657 -0.452 0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 373 2.550 0.978 1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 373 0.502 2.353 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.390 0.923 0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 373 0.156 2.965 2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -0.173 1.881 4.181 1.00 0.00 H new ATOM 319 N ALA A 374 1.364 2.898 -2.216 1.00 0.00 N ATOM 320 CA ALA A 374 1.330 4.318 -2.542 1.00 0.00 C ATOM 321 C ALA A 374 -0.100 4.842 -2.516 1.00 0.00 C ATOM 322 O ALA A 374 -1.035 4.121 -2.864 1.00 0.00 O ATOM 323 CB ALA A 374 1.963 4.568 -3.903 1.00 0.00 C ATOM 0 H ALA A 374 0.753 2.321 -2.793 1.00 0.00 H new ATOM 0 HA ALA A 374 1.906 4.855 -1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.929 5.634 -4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 374 3.000 4.233 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.414 4.017 -4.666 1.00 0.00 H new ATOM 329 N ALA A 375 -0.268 6.095 -2.103 1.00 0.00 N ATOM 330 CA ALA A 375 -1.589 6.704 -2.039 1.00 0.00 C ATOM 331 C ALA A 375 -2.314 6.566 -3.373 1.00 0.00 C ATOM 332 O ALA A 375 -2.043 7.302 -4.321 1.00 0.00 O ATOM 333 CB ALA A 375 -1.476 8.169 -1.643 1.00 0.00 C ATOM 0 H ALA A 375 0.494 6.706 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.172 6.181 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -2.471 8.612 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.001 8.246 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -0.875 8.700 -2.381 1.00 0.00 H new ATOM 339 N GLU A 376 -3.231 5.606 -3.435 1.00 0.00 N ATOM 340 CA GLU A 376 -3.997 5.346 -4.645 1.00 0.00 C ATOM 341 C GLU A 376 -4.975 6.486 -4.929 1.00 0.00 C ATOM 342 O GLU A 376 -4.737 7.630 -4.541 1.00 0.00 O ATOM 343 CB GLU A 376 -4.748 4.018 -4.496 1.00 0.00 C ATOM 344 CG GLU A 376 -3.845 2.850 -4.133 1.00 0.00 C ATOM 345 CD GLU A 376 -2.833 2.536 -5.217 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.255 2.224 -6.350 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.619 2.602 -4.934 1.00 0.00 O ATOM 0 H GLU A 376 -3.462 4.992 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.311 5.280 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.515 4.127 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.262 3.793 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.320 3.077 -3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.457 1.967 -3.946 1.00 0.00 H new ATOM 354 N THR A 377 -6.074 6.164 -5.604 1.00 0.00 N ATOM 355 CA THR A 377 -7.092 7.149 -5.946 1.00 0.00 C ATOM 356 C THR A 377 -8.465 6.497 -5.979 1.00 0.00 C ATOM 357 O THR A 377 -8.578 5.290 -6.190 1.00 0.00 O ATOM 358 CB THR A 377 -6.814 7.808 -7.310 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.832 6.817 -8.345 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.470 8.518 -7.305 1.00 0.00 C ATOM 0 H THR A 377 -6.282 5.219 -5.927 1.00 0.00 H new ATOM 0 HA THR A 377 -7.065 7.922 -5.178 1.00 0.00 H new ATOM 0 HB THR A 377 -7.595 8.545 -7.498 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.656 7.244 -9.210 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.296 8.975 -8.279 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.470 9.291 -6.536 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.679 7.798 -7.096 1.00 0.00 H new ATOM 368 N GLU A 378 -9.502 7.294 -5.751 1.00 0.00 N ATOM 369 CA GLU A 378 -10.868 6.785 -5.735 1.00 0.00 C ATOM 370 C GLU A 378 -11.134 5.888 -6.936 1.00 0.00 C ATOM 371 O GLU A 378 -11.766 4.840 -6.812 1.00 0.00 O ATOM 372 CB GLU A 378 -11.864 7.945 -5.718 1.00 0.00 C ATOM 373 CG GLU A 378 -13.312 7.503 -5.579 1.00 0.00 C ATOM 374 CD GLU A 378 -14.282 8.668 -5.602 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.166 9.555 -4.730 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.158 8.692 -6.492 1.00 0.00 O ATOM 0 H GLU A 378 -9.423 8.296 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.995 6.190 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.616 8.613 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.755 8.520 -6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.557 6.815 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.432 6.953 -4.645 1.00 0.00 H new ATOM 383 N GLY A 379 -10.652 6.310 -8.094 1.00 0.00 N ATOM 384 CA GLY A 379 -10.852 5.537 -9.301 1.00 0.00 C ATOM 385 C GLY A 379 -10.180 4.181 -9.266 1.00 0.00 C ATOM 386 O GLY A 379 -10.746 3.194 -9.737 1.00 0.00 O ATOM 0 H GLY A 379 -10.126 7.175 -8.220 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.921 5.400 -9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.471 6.101 -10.152 1.00 0.00 H new ATOM 390 N SER A 380 -8.973 4.125 -8.719 1.00 0.00 N ATOM 391 CA SER A 380 -8.237 2.866 -8.648 1.00 0.00 C ATOM 392 C SER A 380 -8.845 1.921 -7.615 1.00 0.00 C ATOM 393 O SER A 380 -9.066 0.745 -7.895 1.00 0.00 O ATOM 394 CB SER A 380 -6.768 3.124 -8.312 1.00 0.00 C ATOM 395 OG SER A 380 -6.631 3.727 -7.039 1.00 0.00 O ATOM 0 H SER A 380 -8.485 4.927 -8.321 1.00 0.00 H new ATOM 0 HA SER A 380 -8.304 2.391 -9.627 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.217 2.184 -8.333 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.327 3.769 -9.072 1.00 0.00 H new ATOM 0 HG SER A 380 -7.389 4.328 -6.878 1.00 0.00 H new ATOM 401 N CYS A 381 -9.099 2.442 -6.419 1.00 0.00 N ATOM 402 CA CYS A 381 -9.662 1.647 -5.328 1.00 0.00 C ATOM 403 C CYS A 381 -10.929 0.902 -5.744 1.00 0.00 C ATOM 404 O CYS A 381 -11.083 -0.281 -5.444 1.00 0.00 O ATOM 405 CB CYS A 381 -9.960 2.542 -4.127 1.00 0.00 C ATOM 406 SG CYS A 381 -8.480 3.302 -3.386 1.00 0.00 S ATOM 0 H CYS A 381 -8.923 3.417 -6.178 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.917 0.899 -5.058 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.645 3.331 -4.436 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.473 1.954 -3.367 1.00 0.00 H new ATOM 411 N ASN A 382 -11.835 1.598 -6.421 1.00 0.00 N ATOM 412 CA ASN A 382 -13.089 0.990 -6.860 1.00 0.00 C ATOM 413 C ASN A 382 -12.834 -0.280 -7.662 1.00 0.00 C ATOM 414 O ASN A 382 -13.677 -1.176 -7.712 1.00 0.00 O ATOM 415 CB ASN A 382 -13.898 1.974 -7.710 1.00 0.00 C ATOM 416 CG ASN A 382 -14.168 3.290 -7.004 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.702 3.417 -5.768 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.796 4.187 -7.568 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.727 2.579 -6.678 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.658 0.733 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.361 2.170 -8.638 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.848 1.514 -7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.138 4.050 -8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.974 5.067 -7.084 1.00 0.00 H new ATOM 425 N LYS A 383 -11.673 -0.342 -8.301 1.00 0.00 N ATOM 426 CA LYS A 383 -11.309 -1.489 -9.118 1.00 0.00 C ATOM 427 C LYS A 383 -10.644 -2.579 -8.283 1.00 0.00 C ATOM 428 O LYS A 383 -10.795 -3.768 -8.564 1.00 0.00 O ATOM 429 CB LYS A 383 -10.374 -1.042 -10.243 1.00 0.00 C ATOM 430 CG LYS A 383 -10.865 0.196 -10.984 1.00 0.00 C ATOM 431 CD LYS A 383 -12.250 -0.014 -11.575 1.00 0.00 C ATOM 432 CE LYS A 383 -12.690 1.180 -12.405 1.00 0.00 C ATOM 433 NZ LYS A 383 -14.031 0.965 -13.017 1.00 0.00 N ATOM 0 H LYS A 383 -10.966 0.392 -8.268 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.220 -1.908 -9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.388 -0.839 -9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.257 -1.859 -10.954 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.886 1.045 -10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.164 0.445 -11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.249 -0.910 -12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.967 -0.184 -10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.716 2.070 -11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.958 1.366 -13.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -14.296 1.801 -13.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -14.000 0.131 -13.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -14.735 0.813 -12.267 1.00 0.00 H new ATOM 447 N LYS A 384 -9.897 -2.164 -7.266 1.00 0.00 N ATOM 448 CA LYS A 384 -9.192 -3.095 -6.399 1.00 0.00 C ATOM 449 C LYS A 384 -10.146 -4.027 -5.658 1.00 0.00 C ATOM 450 O LYS A 384 -11.086 -3.578 -5.001 1.00 0.00 O ATOM 451 CB LYS A 384 -8.344 -2.311 -5.398 1.00 0.00 C ATOM 452 CG LYS A 384 -6.994 -1.846 -5.938 1.00 0.00 C ATOM 453 CD LYS A 384 -7.079 -1.272 -7.346 1.00 0.00 C ATOM 454 CE LYS A 384 -6.842 -2.337 -8.408 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.894 -1.770 -9.784 1.00 0.00 N ATOM 0 H LYS A 384 -9.765 -1.182 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.554 -3.718 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.908 -1.439 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.175 -2.933 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.582 -1.091 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.300 -2.686 -5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -8.060 -0.822 -7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.343 -0.476 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.871 -2.803 -8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.593 -3.121 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.556 -2.325 -10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.217 -0.782 -9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.946 -1.806 -10.210 1.00 0.00 H new ATOM 469 N ASP A 385 -9.879 -5.326 -5.753 1.00 0.00 N ATOM 470 CA ASP A 385 -10.693 -6.326 -5.075 1.00 0.00 C ATOM 471 C ASP A 385 -10.456 -6.248 -3.573 1.00 0.00 C ATOM 472 O ASP A 385 -9.667 -5.427 -3.112 1.00 0.00 O ATOM 473 CB ASP A 385 -10.360 -7.728 -5.590 1.00 0.00 C ATOM 474 CG ASP A 385 -10.630 -7.884 -7.075 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.088 -6.905 -7.702 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.385 -8.985 -7.610 1.00 0.00 O ATOM 0 H ASP A 385 -9.104 -5.710 -6.294 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.744 -6.125 -5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.310 -7.944 -5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.947 -8.462 -5.039 1.00 0.00 H new ATOM 481 N GLN A 386 -11.136 -7.100 -2.811 1.00 0.00 N ATOM 482 CA GLN A 386 -10.989 -7.107 -1.358 1.00 0.00 C ATOM 483 C GLN A 386 -9.516 -7.091 -0.957 1.00 0.00 C ATOM 484 O GLN A 386 -9.082 -6.234 -0.187 1.00 0.00 O ATOM 485 CB GLN A 386 -11.677 -8.338 -0.762 1.00 0.00 C ATOM 486 CG GLN A 386 -11.684 -8.357 0.758 1.00 0.00 C ATOM 487 CD GLN A 386 -12.371 -9.587 1.321 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.940 -10.715 1.082 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.447 -9.374 2.069 1.00 0.00 N ATOM 0 H GLN A 386 -11.792 -7.792 -3.173 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.462 -6.207 -0.967 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.705 -8.379 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.176 -9.235 -1.126 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.658 -8.319 1.123 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.187 -7.463 1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.768 -8.421 2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.952 -10.163 2.472 1.00 0.00 H new ATOM 498 N ASN A 387 -8.752 -8.035 -1.493 1.00 0.00 N ATOM 499 CA ASN A 387 -7.329 -8.130 -1.201 1.00 0.00 C ATOM 500 C ASN A 387 -6.577 -6.929 -1.774 1.00 0.00 C ATOM 501 O ASN A 387 -5.613 -6.444 -1.183 1.00 0.00 O ATOM 502 CB ASN A 387 -6.770 -9.433 -1.785 1.00 0.00 C ATOM 503 CG ASN A 387 -5.312 -9.687 -1.436 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.736 -8.852 -0.579 1.00 0.00 O flip ATOM 505 ND2 ASN A 387 -4.709 -10.643 -1.926 1.00 0.00 N flip ATOM 0 H ASN A 387 -9.097 -8.748 -2.135 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.192 -8.131 -0.120 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.371 -10.268 -1.425 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.875 -9.408 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -5.184 -11.264 -2.581 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -3.735 -10.814 -1.676 1.00 0.00 H new ATOM 512 N GLU A 388 -7.027 -6.457 -2.933 1.00 0.00 N ATOM 513 CA GLU A 388 -6.401 -5.318 -3.599 1.00 0.00 C ATOM 514 C GLU A 388 -6.751 -4.011 -2.905 1.00 0.00 C ATOM 515 O GLU A 388 -6.102 -2.990 -3.135 1.00 0.00 O ATOM 516 CB GLU A 388 -6.827 -5.268 -5.067 1.00 0.00 C ATOM 517 CG GLU A 388 -6.435 -6.505 -5.857 1.00 0.00 C ATOM 518 CD GLU A 388 -6.881 -6.437 -7.305 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.448 -5.507 -8.017 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.664 -7.315 -7.728 1.00 0.00 O ATOM 0 H GLU A 388 -7.826 -6.847 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.320 -5.447 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.908 -5.142 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.381 -4.391 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.353 -6.628 -5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.872 -7.386 -5.387 1.00 0.00 H new ATOM 527 N CYS A 389 -7.773 -4.042 -2.056 1.00 0.00 N ATOM 528 CA CYS A 389 -8.190 -2.849 -1.335 1.00 0.00 C ATOM 529 C CYS A 389 -7.011 -2.307 -0.534 1.00 0.00 C ATOM 530 O CYS A 389 -6.703 -2.795 0.554 1.00 0.00 O ATOM 531 CB CYS A 389 -9.374 -3.171 -0.420 1.00 0.00 C ATOM 532 SG CYS A 389 -10.315 -1.711 0.133 1.00 0.00 S ATOM 0 H CYS A 389 -8.324 -4.876 -1.852 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.513 -2.087 -2.044 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.050 -3.847 -0.944 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.006 -3.705 0.456 1.00 0.00 H new ATOM 537 N LYS A 390 -6.333 -1.318 -1.108 1.00 0.00 N ATOM 538 CA LYS A 390 -5.154 -0.720 -0.492 1.00 0.00 C ATOM 539 C LYS A 390 -5.500 0.110 0.739 1.00 0.00 C ATOM 540 O LYS A 390 -6.654 0.485 0.951 1.00 0.00 O ATOM 541 CB LYS A 390 -4.414 0.130 -1.518 1.00 0.00 C ATOM 542 CG LYS A 390 -3.834 -0.685 -2.665 1.00 0.00 C ATOM 543 CD LYS A 390 -2.662 -1.540 -2.206 1.00 0.00 C ATOM 544 CE LYS A 390 -2.085 -2.353 -3.353 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.084 -3.298 -3.923 1.00 0.00 N ATOM 0 H LYS A 390 -6.584 -0.910 -2.009 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.509 -1.531 -0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.097 0.878 -1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.608 0.669 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.609 -1.325 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.507 -0.015 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.886 -0.900 -1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.988 -2.211 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.735 -1.679 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.217 -2.911 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.667 -4.248 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.923 -3.328 -3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.361 -2.979 -4.873 1.00 0.00 H new ATOM 559 N SER A 391 -4.482 0.375 1.554 1.00 0.00 N ATOM 560 CA SER A 391 -4.645 1.138 2.780 1.00 0.00 C ATOM 561 C SER A 391 -5.341 2.477 2.524 1.00 0.00 C ATOM 562 O SER A 391 -6.361 2.765 3.147 1.00 0.00 O ATOM 563 CB SER A 391 -3.282 1.354 3.437 1.00 0.00 C ATOM 564 OG SER A 391 -2.664 0.116 3.748 1.00 0.00 O ATOM 0 H SER A 391 -3.525 0.066 1.380 1.00 0.00 H new ATOM 0 HA SER A 391 -5.283 0.568 3.455 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.639 1.927 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.402 1.943 4.346 1.00 0.00 H new ATOM 0 HG SER A 391 -1.800 0.281 4.180 1.00 0.00 H new ATOM 570 N PRO A 392 -4.820 3.318 1.602 1.00 0.00 N ATOM 571 CA PRO A 392 -5.431 4.608 1.291 1.00 0.00 C ATOM 572 C PRO A 392 -6.918 4.464 1.008 1.00 0.00 C ATOM 573 O PRO A 392 -7.716 5.349 1.327 1.00 0.00 O ATOM 574 CB PRO A 392 -4.691 5.069 0.026 1.00 0.00 C ATOM 575 CG PRO A 392 -3.906 3.894 -0.439 1.00 0.00 C ATOM 576 CD PRO A 392 -3.618 3.099 0.788 1.00 0.00 C ATOM 0 HA PRO A 392 -5.350 5.312 2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.394 5.397 -0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.038 5.914 0.242 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.470 3.307 -1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -2.984 4.207 -0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.469 2.043 0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.717 3.447 1.294 1.00 0.00 H new ATOM 584 N CYS A 393 -7.281 3.337 0.407 1.00 0.00 N ATOM 585 CA CYS A 393 -8.668 3.058 0.074 1.00 0.00 C ATOM 586 C CYS A 393 -9.503 2.884 1.336 1.00 0.00 C ATOM 587 O CYS A 393 -9.131 3.350 2.411 1.00 0.00 O ATOM 588 CB CYS A 393 -8.752 1.791 -0.778 1.00 0.00 C ATOM 589 SG CYS A 393 -7.694 1.813 -2.261 1.00 0.00 S ATOM 0 H CYS A 393 -6.629 2.600 0.140 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.063 3.903 -0.489 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.477 0.934 -0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.787 1.643 -1.086 1.00 0.00 H new ATOM 594 N LYS A 394 -10.626 2.196 1.194 1.00 0.00 N ATOM 595 CA LYS A 394 -11.517 1.940 2.315 1.00 0.00 C ATOM 596 C LYS A 394 -12.480 0.813 1.974 1.00 0.00 C ATOM 597 O LYS A 394 -13.252 0.904 1.021 1.00 0.00 O ATOM 598 CB LYS A 394 -12.287 3.210 2.686 1.00 0.00 C ATOM 599 CG LYS A 394 -13.219 3.034 3.875 1.00 0.00 C ATOM 600 CD LYS A 394 -13.841 4.354 4.315 1.00 0.00 C ATOM 601 CE LYS A 394 -14.795 4.914 3.269 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.085 5.385 2.048 1.00 0.00 N ATOM 0 H LYS A 394 -10.943 1.803 0.308 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.919 1.638 3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.575 4.004 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.869 3.536 1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.009 2.330 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.666 2.599 4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.377 4.207 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.051 5.079 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -15.518 4.146 2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.358 5.741 3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.325 6.381 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.058 5.295 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.376 4.808 1.233 1.00 0.00 H new ATOM 616 N TRP A 395 -12.410 -0.258 2.754 1.00 0.00 N ATOM 617 CA TRP A 395 -13.253 -1.421 2.531 1.00 0.00 C ATOM 618 C TRP A 395 -14.706 -1.143 2.907 1.00 0.00 C ATOM 619 O TRP A 395 -14.986 -0.389 3.839 1.00 0.00 O ATOM 620 CB TRP A 395 -12.726 -2.614 3.328 1.00 0.00 C ATOM 621 CG TRP A 395 -13.397 -3.907 2.976 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.964 -4.798 3.840 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.564 -4.457 1.663 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.480 -5.865 3.145 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.245 -5.680 1.809 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.206 -4.034 0.378 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.574 -6.484 0.720 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.533 -4.832 -0.701 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.211 -6.044 -0.523 1.00 0.00 C ATOM 0 H TRP A 395 -11.776 -0.343 3.548 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.222 -1.654 1.467 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.654 -2.711 3.157 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.863 -2.420 4.392 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.002 -4.682 4.913 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.960 -6.665 3.557 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.683 -3.100 0.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.096 -7.420 0.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.261 -4.516 -1.697 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.453 -6.645 -1.387 1.00 0.00 H new ATOM 640 N HIS A 396 -15.626 -1.769 2.175 1.00 0.00 N ATOM 641 CA HIS A 396 -17.053 -1.604 2.426 1.00 0.00 C ATOM 642 C HIS A 396 -17.766 -2.952 2.431 1.00 0.00 C ATOM 643 O HIS A 396 -18.111 -3.486 1.374 1.00 0.00 O ATOM 644 CB HIS A 396 -17.687 -0.697 1.369 1.00 0.00 C ATOM 645 CG HIS A 396 -17.354 0.750 1.540 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.723 1.477 2.652 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.689 1.611 0.733 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.302 2.721 2.521 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.670 2.828 1.367 1.00 0.00 N ATOM 0 H HIS A 396 -15.406 -2.396 1.402 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.163 -1.142 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.360 -1.022 0.381 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.770 -0.818 1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.255 1.383 -0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.450 3.516 3.237 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.237 3.678 1.005 1.00 0.00 H new ATOM 658 N ASN A 397 -17.997 -3.486 3.627 1.00 0.00 N ATOM 659 CA ASN A 397 -18.686 -4.761 3.772 1.00 0.00 C ATOM 660 C ASN A 397 -20.178 -4.532 4.008 1.00 0.00 C ATOM 661 O ASN A 397 -20.634 -4.463 5.150 1.00 0.00 O ATOM 662 CB ASN A 397 -18.077 -5.578 4.918 1.00 0.00 C ATOM 663 CG ASN A 397 -18.034 -4.832 6.246 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.499 -3.586 6.261 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -17.583 -5.377 7.254 1.00 0.00 N flip ATOM 0 H ASN A 397 -17.717 -3.055 4.508 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.564 -5.328 2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.653 -6.495 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.064 -5.873 4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -17.235 -6.335 7.204 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.557 -4.871 8.139 1.00 0.00 H new ATOM 672 N ASP A 398 -20.926 -4.416 2.915 1.00 0.00 N ATOM 673 CA ASP A 398 -22.368 -4.185 2.975 1.00 0.00 C ATOM 674 C ASP A 398 -22.920 -3.950 1.574 1.00 0.00 C ATOM 675 O ASP A 398 -24.123 -4.070 1.338 1.00 0.00 O ATOM 676 CB ASP A 398 -22.692 -2.980 3.864 1.00 0.00 C ATOM 677 CG ASP A 398 -22.069 -1.696 3.349 1.00 0.00 C ATOM 678 OD1 ASP A 398 -20.825 -1.641 3.241 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.824 -0.747 3.054 1.00 0.00 O ATOM 0 H ASP A 398 -20.554 -4.479 1.967 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.835 -5.071 3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.773 -2.857 3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.336 -3.173 4.876 1.00 0.00 H new ATOM 684 N ALA A 399 -22.025 -3.604 0.652 1.00 0.00 N ATOM 685 CA ALA A 399 -22.398 -3.336 -0.732 1.00 0.00 C ATOM 686 C ALA A 399 -22.994 -4.569 -1.408 1.00 0.00 C ATOM 687 O ALA A 399 -23.347 -4.527 -2.587 1.00 0.00 O ATOM 688 CB ALA A 399 -21.186 -2.833 -1.507 1.00 0.00 C ATOM 0 H ALA A 399 -21.028 -3.502 0.842 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.169 -2.565 -0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.471 -2.635 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.817 -1.915 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.401 -3.589 -1.486 1.00 0.00 H new ATOM 694 N GLU A 400 -23.096 -5.653 -0.642 1.00 0.00 N ATOM 695 CA GLU A 400 -23.640 -6.926 -1.123 1.00 0.00 C ATOM 696 C GLU A 400 -22.634 -7.640 -2.016 1.00 0.00 C ATOM 697 O GLU A 400 -22.416 -8.845 -1.887 1.00 0.00 O ATOM 698 CB GLU A 400 -24.957 -6.713 -1.876 1.00 0.00 C ATOM 699 CG GLU A 400 -26.036 -6.031 -1.048 1.00 0.00 C ATOM 700 CD GLU A 400 -26.479 -6.860 0.142 1.00 0.00 C ATOM 701 OE1 GLU A 400 -25.640 -7.126 1.029 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.667 -7.243 0.188 1.00 0.00 O ATOM 0 H GLU A 400 -22.803 -5.676 0.335 1.00 0.00 H new ATOM 0 HA GLU A 400 -23.840 -7.551 -0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.763 -6.114 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.330 -7.679 -2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.663 -5.069 -0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.898 -5.826 -1.682 1.00 0.00 H new ATOM 709 N ASN A 401 -22.015 -6.883 -2.910 1.00 0.00 N ATOM 710 CA ASN A 401 -21.019 -7.420 -3.820 1.00 0.00 C ATOM 711 C ASN A 401 -19.627 -6.999 -3.373 1.00 0.00 C ATOM 712 O ASN A 401 -18.641 -7.225 -4.077 1.00 0.00 O ATOM 713 CB ASN A 401 -21.283 -6.915 -5.237 1.00 0.00 C ATOM 714 CG ASN A 401 -22.601 -7.408 -5.816 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.363 -8.164 -5.030 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -22.932 -7.109 -6.963 1.00 0.00 N flip ATOM 0 H ASN A 401 -22.189 -5.884 -3.023 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.082 -8.508 -3.812 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.281 -5.825 -5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.467 -7.233 -5.886 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.320 -6.527 -7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.818 -7.443 -7.342 1.00 0.00 H new ATOM 723 N LYS A 402 -19.565 -6.374 -2.196 1.00 0.00 N ATOM 724 CA LYS A 402 -18.304 -5.897 -1.633 1.00 0.00 C ATOM 725 C LYS A 402 -17.726 -4.772 -2.488 1.00 0.00 C ATOM 726 O LYS A 402 -17.619 -4.902 -3.708 1.00 0.00 O ATOM 727 CB LYS A 402 -17.300 -7.048 -1.524 1.00 0.00 C ATOM 728 CG LYS A 402 -17.762 -8.182 -0.621 1.00 0.00 C ATOM 729 CD LYS A 402 -17.918 -7.723 0.820 1.00 0.00 C ATOM 730 CE LYS A 402 -18.382 -8.859 1.717 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.520 -8.426 3.135 1.00 0.00 N ATOM 0 H LYS A 402 -20.380 -6.186 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.500 -5.507 -0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.107 -7.445 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.354 -6.658 -1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.713 -8.572 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.043 -9.000 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.967 -7.335 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.636 -6.904 0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.339 -9.237 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.671 -9.683 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.838 -9.229 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.601 -8.089 3.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.217 -7.657 3.197 1.00 0.00 H new ATOM 745 N LYS A 403 -17.361 -3.663 -1.848 1.00 0.00 N ATOM 746 CA LYS A 403 -16.808 -2.524 -2.572 1.00 0.00 C ATOM 747 C LYS A 403 -15.663 -1.856 -1.815 1.00 0.00 C ATOM 748 O LYS A 403 -15.680 -1.760 -0.589 1.00 0.00 O ATOM 749 CB LYS A 403 -17.897 -1.494 -2.861 1.00 0.00 C ATOM 750 CG LYS A 403 -18.982 -2.007 -3.787 1.00 0.00 C ATOM 751 CD LYS A 403 -19.922 -0.893 -4.213 1.00 0.00 C ATOM 752 CE LYS A 403 -21.002 -1.402 -5.154 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.924 -0.314 -5.581 1.00 0.00 N ATOM 0 H LYS A 403 -17.438 -3.530 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.408 -2.911 -3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.350 -1.182 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.441 -0.609 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.526 -2.457 -4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.549 -2.791 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -20.386 -0.450 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.353 -0.104 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.537 -1.849 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -21.573 -2.189 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -22.646 -0.702 -6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -22.387 0.096 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -21.384 0.425 -6.075 1.00 0.00 H new ATOM 767 N CYS A 404 -14.680 -1.374 -2.572 1.00 0.00 N ATOM 768 CA CYS A 404 -13.524 -0.683 -2.009 1.00 0.00 C ATOM 769 C CYS A 404 -13.384 0.685 -2.670 1.00 0.00 C ATOM 770 O CYS A 404 -13.431 0.792 -3.894 1.00 0.00 O ATOM 771 CB CYS A 404 -12.248 -1.506 -2.223 1.00 0.00 C ATOM 772 SG CYS A 404 -10.729 -0.715 -1.593 1.00 0.00 S ATOM 0 H CYS A 404 -14.663 -1.451 -3.589 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.672 -0.556 -0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.368 -2.474 -1.736 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.128 -1.698 -3.289 1.00 0.00 H new ATOM 777 N THR A 405 -13.234 1.733 -1.864 1.00 0.00 N ATOM 778 CA THR A 405 -13.116 3.086 -2.402 1.00 0.00 C ATOM 779 C THR A 405 -12.100 3.924 -1.630 1.00 0.00 C ATOM 780 O THR A 405 -11.949 3.784 -0.416 1.00 0.00 O ATOM 781 CB THR A 405 -14.475 3.812 -2.394 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.962 3.927 -1.052 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.492 3.066 -3.246 1.00 0.00 C ATOM 0 H THR A 405 -13.192 1.674 -0.847 1.00 0.00 H new ATOM 0 HA THR A 405 -12.769 2.976 -3.429 1.00 0.00 H new ATOM 0 HB THR A 405 -14.332 4.808 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.825 4.391 -1.056 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.444 3.597 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.132 3.006 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.630 2.060 -2.851 1.00 0.00 H new ATOM 791 N LEU A 406 -11.404 4.792 -2.358 1.00 0.00 N ATOM 792 CA LEU A 406 -10.392 5.666 -1.780 1.00 0.00 C ATOM 793 C LEU A 406 -11.020 6.701 -0.860 1.00 0.00 C ATOM 794 O LEU A 406 -12.114 7.205 -1.119 1.00 0.00 O ATOM 795 CB LEU A 406 -9.607 6.352 -2.898 1.00 0.00 C ATOM 796 CG LEU A 406 -8.306 7.047 -2.489 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.584 8.346 -1.751 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.449 6.119 -1.647 1.00 0.00 C ATOM 0 H LEU A 406 -11.526 4.908 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.712 5.060 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.372 5.606 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.256 7.091 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.756 7.294 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.640 8.816 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.148 9.018 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.163 8.137 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.528 6.630 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.996 5.835 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.207 5.225 -2.222 1.00 0.00 H new ATOM 810 N ASP A 407 -10.312 7.013 0.214 1.00 0.00 N ATOM 811 CA ASP A 407 -10.778 7.994 1.187 1.00 0.00 C ATOM 812 C ASP A 407 -9.718 9.066 1.417 1.00 0.00 C ATOM 813 O ASP A 407 -8.545 8.756 1.608 1.00 0.00 O ATOM 814 CB ASP A 407 -11.121 7.302 2.505 1.00 0.00 C ATOM 815 CG ASP A 407 -11.728 8.247 3.526 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.919 9.438 3.202 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.019 7.792 4.654 1.00 0.00 O ATOM 0 H ASP A 407 -9.407 6.599 0.437 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.674 8.474 0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.819 6.487 2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.218 6.856 2.922 1.00 0.00 H new ATOM 822 N LYS A 408 -10.140 10.326 1.392 1.00 0.00 N ATOM 823 CA LYS A 408 -9.225 11.444 1.592 1.00 0.00 C ATOM 824 C LYS A 408 -8.690 11.482 3.021 1.00 0.00 C ATOM 825 O LYS A 408 -7.501 11.711 3.242 1.00 0.00 O ATOM 826 CB LYS A 408 -9.922 12.765 1.261 1.00 0.00 C ATOM 827 CG LYS A 408 -11.192 13.005 2.063 1.00 0.00 C ATOM 828 CD LYS A 408 -11.846 14.330 1.698 1.00 0.00 C ATOM 829 CE LYS A 408 -12.266 14.366 0.236 1.00 0.00 C ATOM 830 NZ LYS A 408 -13.241 13.289 -0.089 1.00 0.00 N ATOM 0 H LYS A 408 -11.110 10.599 1.235 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.379 11.303 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.229 13.586 1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.165 12.781 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.895 12.191 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.957 12.996 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.718 14.492 2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.151 15.146 1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.708 15.336 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.385 14.261 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -13.655 13.467 -1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.754 12.370 -0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.996 13.277 0.626 1.00 0.00 H new ATOM 844 N GLU A 409 -9.577 11.268 3.987 1.00 0.00 N ATOM 845 CA GLU A 409 -9.195 11.290 5.397 1.00 0.00 C ATOM 846 C GLU A 409 -8.227 10.158 5.733 1.00 0.00 C ATOM 847 O GLU A 409 -7.271 10.347 6.484 1.00 0.00 O ATOM 848 CB GLU A 409 -10.436 11.197 6.286 1.00 0.00 C ATOM 849 CG GLU A 409 -11.398 12.363 6.112 1.00 0.00 C ATOM 850 CD GLU A 409 -12.607 12.262 7.020 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.422 12.234 8.255 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.741 12.212 6.496 1.00 0.00 O ATOM 0 H GLU A 409 -10.565 11.077 3.821 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.687 12.236 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.961 10.267 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.123 11.148 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.873 13.296 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.730 12.404 5.075 1.00 0.00 H new ATOM 859 N GLU A 410 -8.481 8.981 5.180 1.00 0.00 N ATOM 860 CA GLU A 410 -7.629 7.828 5.434 1.00 0.00 C ATOM 861 C GLU A 410 -6.313 7.952 4.675 1.00 0.00 C ATOM 862 O GLU A 410 -5.249 7.654 5.211 1.00 0.00 O ATOM 863 CB GLU A 410 -8.352 6.536 5.049 1.00 0.00 C ATOM 864 CG GLU A 410 -7.566 5.276 5.375 1.00 0.00 C ATOM 865 CD GLU A 410 -8.384 4.013 5.185 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.583 4.125 4.853 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.827 2.911 5.377 1.00 0.00 O ATOM 0 H GLU A 410 -9.266 8.799 4.555 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.405 7.795 6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.311 6.499 5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.566 6.554 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.681 5.230 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -7.217 5.327 6.406 1.00 0.00 H new ATOM 874 N ALA A 411 -6.396 8.401 3.427 1.00 0.00 N ATOM 875 CA ALA A 411 -5.210 8.572 2.595 1.00 0.00 C ATOM 876 C ALA A 411 -4.251 9.590 3.200 1.00 0.00 C ATOM 877 O ALA A 411 -3.039 9.381 3.211 1.00 0.00 O ATOM 878 CB ALA A 411 -5.605 8.992 1.186 1.00 0.00 C ATOM 0 H ALA A 411 -7.272 8.653 2.969 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.696 7.612 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.709 9.115 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.241 8.226 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.148 9.936 1.227 1.00 0.00 H new ATOM 884 N LYS A 412 -4.798 10.695 3.699 1.00 0.00 N ATOM 885 CA LYS A 412 -3.981 11.744 4.299 1.00 0.00 C ATOM 886 C LYS A 412 -3.267 11.231 5.546 1.00 0.00 C ATOM 887 O LYS A 412 -2.082 11.495 5.743 1.00 0.00 O ATOM 888 CB LYS A 412 -4.837 12.969 4.638 1.00 0.00 C ATOM 889 CG LYS A 412 -5.838 12.730 5.755 1.00 0.00 C ATOM 890 CD LYS A 412 -6.765 13.920 5.936 1.00 0.00 C ATOM 891 CE LYS A 412 -7.627 13.770 7.178 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.804 13.665 8.415 1.00 0.00 N ATOM 0 H LYS A 412 -5.800 10.886 3.700 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.226 12.041 3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.180 13.792 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.374 13.284 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.426 11.840 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.306 12.537 6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.176 14.834 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.404 14.022 5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -8.298 14.625 7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -8.252 12.882 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -7.218 14.263 9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.785 12.676 8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.834 13.983 8.215 1.00 0.00 H new ATOM 906 N LYS A 413 -3.990 10.493 6.386 1.00 0.00 N ATOM 907 CA LYS A 413 -3.411 9.946 7.609 1.00 0.00 C ATOM 908 C LYS A 413 -2.327 8.917 7.289 1.00 0.00 C ATOM 909 O LYS A 413 -1.277 8.889 7.930 1.00 0.00 O ATOM 910 CB LYS A 413 -4.498 9.313 8.480 1.00 0.00 C ATOM 911 CG LYS A 413 -5.557 10.303 8.945 1.00 0.00 C ATOM 912 CD LYS A 413 -6.606 9.635 9.823 1.00 0.00 C ATOM 913 CE LYS A 413 -6.002 9.108 11.116 1.00 0.00 C ATOM 914 NZ LYS A 413 -7.025 8.471 11.990 1.00 0.00 N ATOM 0 H LYS A 413 -4.973 10.261 6.242 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.952 10.767 8.160 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.981 8.513 7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.032 8.855 9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -5.081 11.112 9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -6.041 10.752 8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -7.396 10.350 10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -7.069 8.814 9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -5.222 8.383 10.883 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -5.525 9.927 11.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -6.572 8.126 12.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -7.756 9.169 12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -7.463 7.673 11.487 1.00 0.00 H new ATOM 928 N VAL A 414 -2.589 8.075 6.291 1.00 0.00 N ATOM 929 CA VAL A 414 -1.637 7.045 5.885 1.00 0.00 C ATOM 930 C VAL A 414 -0.350 7.659 5.340 1.00 0.00 C ATOM 931 O VAL A 414 0.749 7.295 5.761 1.00 0.00 O ATOM 932 CB VAL A 414 -2.244 6.113 4.817 1.00 0.00 C ATOM 933 CG1 VAL A 414 -1.193 5.157 4.270 1.00 0.00 C ATOM 934 CG2 VAL A 414 -3.417 5.340 5.395 1.00 0.00 C ATOM 0 H VAL A 414 -3.453 8.086 5.749 1.00 0.00 H new ATOM 0 HA VAL A 414 -1.403 6.463 6.777 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.604 6.728 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.646 4.510 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -0.383 5.728 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.797 4.548 5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.835 4.687 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -3.077 4.739 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -4.182 6.039 5.733 1.00 0.00 H new ATOM 944 N ALA A 415 -0.496 8.584 4.400 1.00 0.00 N ATOM 945 CA ALA A 415 0.653 9.248 3.791 1.00 0.00 C ATOM 946 C ALA A 415 1.446 10.040 4.826 1.00 0.00 C ATOM 947 O ALA A 415 2.677 10.028 4.822 1.00 0.00 O ATOM 948 CB ALA A 415 0.200 10.156 2.658 1.00 0.00 C ATOM 0 H ALA A 415 -1.399 8.893 4.041 1.00 0.00 H new ATOM 0 HA ALA A 415 1.310 8.479 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.068 10.644 2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.311 9.564 1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.482 10.912 3.048 1.00 0.00 H new ATOM 954 N ASP A 416 0.732 10.723 5.714 1.00 0.00 N ATOM 955 CA ASP A 416 1.365 11.517 6.763 1.00 0.00 C ATOM 956 C ASP A 416 1.737 10.641 7.952 1.00 0.00 C ATOM 957 O ASP A 416 1.584 11.039 9.108 1.00 0.00 O ATOM 958 CB ASP A 416 0.437 12.646 7.212 1.00 0.00 C ATOM 959 CG ASP A 416 0.192 13.664 6.115 1.00 0.00 C ATOM 960 OD1 ASP A 416 -0.301 13.270 5.037 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.495 14.856 6.333 1.00 0.00 O ATOM 0 H ASP A 416 -0.288 10.743 5.729 1.00 0.00 H new ATOM 0 HA ASP A 416 2.277 11.953 6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.516 12.224 7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.871 13.146 8.078 1.00 0.00 H new ATOM 966 N GLU A 417 2.220 9.442 7.655 1.00 0.00 N ATOM 967 CA GLU A 417 2.611 8.494 8.671 1.00 0.00 C ATOM 968 C GLU A 417 3.828 7.693 8.219 1.00 0.00 C ATOM 969 O GLU A 417 4.787 7.523 8.971 1.00 0.00 O ATOM 970 CB GLU A 417 1.451 7.550 8.964 1.00 0.00 C ATOM 971 CG GLU A 417 1.849 6.407 9.862 1.00 0.00 C ATOM 972 CD GLU A 417 0.661 5.646 10.419 1.00 0.00 C ATOM 973 OE1 GLU A 417 -0.167 6.267 11.118 1.00 0.00 O ATOM 974 OE2 GLU A 417 0.559 4.431 10.155 1.00 0.00 O ATOM 0 H GLU A 417 2.349 9.106 6.701 1.00 0.00 H new ATOM 0 HA GLU A 417 2.874 9.041 9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 417 0.641 8.110 9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 417 1.064 7.153 8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 417 2.484 5.719 9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 417 2.446 6.793 10.689 1.00 0.00 H new ATOM 981 N THR A 418 3.774 7.198 6.987 1.00 0.00 N ATOM 982 CA THR A 418 4.865 6.408 6.431 1.00 0.00 C ATOM 983 C THR A 418 5.954 7.298 5.836 1.00 0.00 C ATOM 984 O THR A 418 6.674 6.881 4.927 1.00 0.00 O ATOM 985 CB THR A 418 4.354 5.451 5.339 1.00 0.00 C ATOM 986 OG1 THR A 418 3.848 6.201 4.228 1.00 0.00 O ATOM 987 CG2 THR A 418 3.255 4.549 5.881 1.00 0.00 C ATOM 0 H THR A 418 2.985 7.331 6.354 1.00 0.00 H new ATOM 0 HA THR A 418 5.287 5.831 7.254 1.00 0.00 H new ATOM 0 HB THR A 418 5.189 4.831 5.013 1.00 0.00 H new ATOM 0 HG1 THR A 418 3.526 5.585 3.537 1.00 0.00 H new ATOM 0 HG21 THR A 418 2.910 3.882 5.091 1.00 0.00 H new ATOM 0 HG22 THR A 418 3.645 3.959 6.710 1.00 0.00 H new ATOM 0 HG23 THR A 418 2.422 5.160 6.230 1.00 0.00 H new ATOM 995 N ALA A 419 6.077 8.520 6.357 1.00 0.00 N ATOM 996 CA ALA A 419 7.085 9.462 5.873 1.00 0.00 C ATOM 997 C ALA A 419 7.023 10.781 6.635 1.00 0.00 C ATOM 998 O ALA A 419 7.288 11.844 6.072 1.00 0.00 O ATOM 999 CB ALA A 419 6.906 9.711 4.382 1.00 0.00 C ATOM 0 H ALA A 419 5.492 8.879 7.112 1.00 0.00 H new ATOM 0 HA ALA A 419 8.065 9.017 6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 419 7.664 10.414 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 419 7.011 8.771 3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 419 5.915 10.127 4.199 1.00 0.00 H new ATOM 1005 N LYS A 420 6.679 10.711 7.916 1.00 0.00 N ATOM 1006 CA LYS A 420 6.592 11.898 8.748 1.00 0.00 C ATOM 1007 C LYS A 420 7.980 12.452 9.055 1.00 0.00 C ATOM 1008 O LYS A 420 8.202 13.663 9.010 1.00 0.00 O ATOM 1009 CB LYS A 420 5.857 11.578 10.049 1.00 0.00 C ATOM 1010 CG LYS A 420 5.820 12.745 11.015 1.00 0.00 C ATOM 1011 CD LYS A 420 5.098 12.390 12.305 1.00 0.00 C ATOM 1012 CE LYS A 420 5.094 13.559 13.278 1.00 0.00 C ATOM 1013 NZ LYS A 420 4.388 13.226 14.547 1.00 0.00 N ATOM 0 H LYS A 420 6.456 9.841 8.399 1.00 0.00 H new ATOM 0 HA LYS A 420 6.033 12.657 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 420 4.836 11.274 9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 420 6.340 10.729 10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.838 13.060 11.244 1.00 0.00 H new ATOM 0 HG3 LYS A 420 5.323 13.592 10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 420 4.072 12.097 12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 420 5.581 11.530 12.769 1.00 0.00 H new ATOM 0 HE2 LYS A 420 6.121 13.850 13.500 1.00 0.00 H new ATOM 0 HE3 LYS A 420 4.613 14.418 12.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 4.408 14.049 15.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 3.401 12.973 14.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 4.861 12.422 15.007 1.00 0.00 H new ATOM 1027 N ASP A 421 8.907 11.556 9.373 1.00 0.00 N ATOM 1028 CA ASP A 421 10.275 11.946 9.698 1.00 0.00 C ATOM 1029 C ASP A 421 11.184 10.723 9.791 1.00 0.00 C ATOM 1030 O ASP A 421 11.892 10.536 10.782 1.00 0.00 O ATOM 1031 CB ASP A 421 10.307 12.724 11.015 1.00 0.00 C ATOM 1032 CG ASP A 421 9.751 11.921 12.177 1.00 0.00 C ATOM 1033 OD1 ASP A 421 8.567 11.531 12.115 1.00 0.00 O ATOM 1034 OD2 ASP A 421 10.502 11.682 13.146 1.00 0.00 O ATOM 0 H ASP A 421 8.736 10.551 9.413 1.00 0.00 H new ATOM 0 HA ASP A 421 10.643 12.587 8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 421 11.334 13.015 11.237 1.00 0.00 H new ATOM 0 HB3 ASP A 421 9.732 13.643 10.904 1.00 0.00 H new ATOM 1039 N GLY A 422 11.157 9.891 8.753 1.00 0.00 N ATOM 1040 CA GLY A 422 11.980 8.696 8.736 1.00 0.00 C ATOM 1041 C GLY A 422 13.454 9.002 8.917 1.00 0.00 C ATOM 1042 O GLY A 422 13.981 9.938 8.314 1.00 0.00 O ATOM 0 H GLY A 422 10.579 10.024 7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 422 11.652 8.022 9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 422 11.835 8.172 7.791 1.00 0.00 H new ATOM 1046 N LYS A 423 14.118 8.213 9.754 1.00 0.00 N ATOM 1047 CA LYS A 423 15.540 8.397 10.025 1.00 0.00 C ATOM 1048 C LYS A 423 16.372 8.225 8.758 1.00 0.00 C ATOM 1049 O LYS A 423 17.288 9.005 8.497 1.00 0.00 O ATOM 1050 CB LYS A 423 16.005 7.408 11.096 1.00 0.00 C ATOM 1051 CG LYS A 423 17.508 7.431 11.346 1.00 0.00 C ATOM 1052 CD LYS A 423 18.000 8.806 11.786 1.00 0.00 C ATOM 1053 CE LYS A 423 17.498 9.179 13.174 1.00 0.00 C ATOM 1054 NZ LYS A 423 16.024 9.393 13.204 1.00 0.00 N ATOM 0 H LYS A 423 13.692 7.436 10.259 1.00 0.00 H new ATOM 0 HA LYS A 423 15.684 9.414 10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 423 15.488 7.629 12.030 1.00 0.00 H new ATOM 0 HB3 LYS A 423 15.711 6.401 10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 423 17.758 6.696 12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 423 18.030 7.135 10.436 1.00 0.00 H new ATOM 0 HD2 LYS A 423 19.090 8.819 11.780 1.00 0.00 H new ATOM 0 HD3 LYS A 423 17.668 9.556 11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 423 17.763 8.390 13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 423 18.001 10.086 13.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 15.803 10.197 13.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 15.683 9.594 12.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 15.556 8.537 13.565 1.00 0.00 H new ATOM 1068 N THR A 424 16.055 7.196 7.979 1.00 0.00 N ATOM 1069 CA THR A 424 16.783 6.921 6.747 1.00 0.00 C ATOM 1070 C THR A 424 16.056 5.888 5.894 1.00 0.00 C ATOM 1071 O THR A 424 15.457 4.947 6.413 1.00 0.00 O ATOM 1072 CB THR A 424 18.208 6.416 7.040 1.00 0.00 C ATOM 1073 OG1 THR A 424 18.891 6.130 5.814 1.00 0.00 O ATOM 1074 CG2 THR A 424 18.170 5.166 7.909 1.00 0.00 C ATOM 0 H THR A 424 15.300 6.540 8.179 1.00 0.00 H new ATOM 0 HA THR A 424 16.842 7.861 6.199 1.00 0.00 H new ATOM 0 HB THR A 424 18.743 7.199 7.578 1.00 0.00 H new ATOM 0 HG1 THR A 424 19.797 5.811 6.011 1.00 0.00 H new ATOM 0 HG21 THR A 424 19.188 4.827 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 424 17.677 5.395 8.854 1.00 0.00 H new ATOM 0 HG23 THR A 424 17.618 4.381 7.393 1.00 0.00 H new ATOM 1082 N GLY A 425 16.115 6.073 4.578 1.00 0.00 N ATOM 1083 CA GLY A 425 15.461 5.153 3.667 1.00 0.00 C ATOM 1084 C GLY A 425 15.805 5.432 2.217 1.00 0.00 C ATOM 1085 O GLY A 425 15.821 6.585 1.787 1.00 0.00 O ATOM 0 H GLY A 425 16.605 6.845 4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 425 15.750 4.132 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 425 14.381 5.220 3.801 1.00 0.00 H new ATOM 1089 N ASN A 426 16.081 4.371 1.465 1.00 0.00 N ATOM 1090 CA ASN A 426 16.427 4.500 0.052 1.00 0.00 C ATOM 1091 C ASN A 426 15.329 5.233 -0.715 1.00 0.00 C ATOM 1092 O ASN A 426 14.142 5.005 -0.485 1.00 0.00 O ATOM 1093 CB ASN A 426 16.657 3.117 -0.560 1.00 0.00 C ATOM 1094 CG ASN A 426 16.983 3.183 -2.039 1.00 0.00 C ATOM 1095 OD1 ASN A 426 17.980 3.782 -2.442 1.00 0.00 O ATOM 1096 ND2 ASN A 426 16.137 2.567 -2.856 1.00 0.00 N ATOM 0 H ASN A 426 16.072 3.411 1.810 1.00 0.00 H new ATOM 0 HA ASN A 426 17.345 5.084 -0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 426 17.473 2.621 -0.033 1.00 0.00 H new ATOM 0 HB3 ASN A 426 15.766 2.506 -0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 426 16.301 2.578 -3.863 1.00 0.00 H new ATOM 0 HD22 ASN A 426 15.323 2.083 -2.477 1.00 0.00 H new ATOM 1103 N THR A 427 15.738 6.114 -1.625 1.00 0.00 N ATOM 1104 CA THR A 427 14.791 6.885 -2.425 1.00 0.00 C ATOM 1105 C THR A 427 13.805 5.970 -3.147 1.00 0.00 C ATOM 1106 O THR A 427 14.194 4.959 -3.733 1.00 0.00 O ATOM 1107 CB THR A 427 15.517 7.760 -3.462 1.00 0.00 C ATOM 1108 OG1 THR A 427 16.303 6.939 -4.333 1.00 0.00 O ATOM 1109 CG2 THR A 427 16.413 8.780 -2.775 1.00 0.00 C ATOM 0 H THR A 427 16.718 6.311 -1.826 1.00 0.00 H new ATOM 0 HA THR A 427 14.245 7.528 -1.736 1.00 0.00 H new ATOM 0 HB THR A 427 14.766 8.292 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 427 15.921 6.037 -4.365 1.00 0.00 H new ATOM 0 HG21 THR A 427 16.916 9.387 -3.527 1.00 0.00 H new ATOM 0 HG22 THR A 427 15.809 9.422 -2.135 1.00 0.00 H new ATOM 0 HG23 THR A 427 17.157 8.262 -2.170 1.00 0.00 H new ATOM 1117 N ASN A 428 12.526 6.332 -3.091 1.00 0.00 N ATOM 1118 CA ASN A 428 11.479 5.550 -3.729 1.00 0.00 C ATOM 1119 C ASN A 428 11.584 5.633 -5.250 1.00 0.00 C ATOM 1120 O ASN A 428 12.683 5.667 -5.802 1.00 0.00 O ATOM 1121 CB ASN A 428 10.104 6.036 -3.261 1.00 0.00 C ATOM 1122 CG ASN A 428 9.933 5.928 -1.759 1.00 0.00 C ATOM 1123 OD1 ASN A 428 10.666 6.555 -0.993 1.00 0.00 O ATOM 1124 ND2 ASN A 428 8.966 5.128 -1.329 1.00 0.00 N ATOM 0 H ASN A 428 12.192 7.166 -2.608 1.00 0.00 H new ATOM 0 HA ASN A 428 11.604 4.506 -3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 428 9.965 7.073 -3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 428 9.328 5.452 -3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 428 8.806 5.013 -0.328 1.00 0.00 H new ATOM 0 HD22 ASN A 428 8.382 4.628 -1.999 1.00 0.00 H new ATOM 1131 N THR A 429 10.436 5.668 -5.927 1.00 0.00 N ATOM 1132 CA THR A 429 10.419 5.750 -7.381 1.00 0.00 C ATOM 1133 C THR A 429 11.003 7.076 -7.857 1.00 0.00 C ATOM 1134 O THR A 429 10.517 8.147 -7.492 1.00 0.00 O ATOM 1135 CB THR A 429 8.992 5.592 -7.941 1.00 0.00 C ATOM 1136 OG1 THR A 429 8.998 5.784 -9.361 1.00 0.00 O ATOM 1137 CG2 THR A 429 8.036 6.583 -7.292 1.00 0.00 C ATOM 0 H THR A 429 9.514 5.641 -5.492 1.00 0.00 H new ATOM 0 HA THR A 429 11.032 4.930 -7.754 1.00 0.00 H new ATOM 0 HB THR A 429 8.649 4.583 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 429 8.088 5.680 -9.709 1.00 0.00 H new ATOM 0 HG21 THR A 429 7.037 6.449 -7.706 1.00 0.00 H new ATOM 0 HG22 THR A 429 8.009 6.411 -6.216 1.00 0.00 H new ATOM 0 HG23 THR A 429 8.377 7.599 -7.489 1.00 0.00 H new ATOM 1145 N THR A 430 12.051 6.989 -8.672 1.00 0.00 N ATOM 1146 CA THR A 430 12.716 8.172 -9.206 1.00 0.00 C ATOM 1147 C THR A 430 12.970 9.213 -8.116 1.00 0.00 C ATOM 1148 O THR A 430 12.882 10.416 -8.363 1.00 0.00 O ATOM 1149 CB THR A 430 11.894 8.815 -10.340 1.00 0.00 C ATOM 1150 OG1 THR A 430 10.619 9.241 -9.844 1.00 0.00 O ATOM 1151 CG2 THR A 430 11.693 7.834 -11.486 1.00 0.00 C ATOM 0 H THR A 430 12.459 6.106 -8.978 1.00 0.00 H new ATOM 0 HA THR A 430 13.674 7.838 -9.606 1.00 0.00 H new ATOM 0 HB THR A 430 12.446 9.678 -10.712 1.00 0.00 H new ATOM 0 HG1 THR A 430 10.631 9.235 -8.864 1.00 0.00 H new ATOM 0 HG21 THR A 430 11.110 8.310 -12.275 1.00 0.00 H new ATOM 0 HG22 THR A 430 12.663 7.534 -11.882 1.00 0.00 H new ATOM 0 HG23 THR A 430 11.162 6.954 -11.123 1.00 0.00 H new ATOM 1159 N GLY A 431 13.283 8.743 -6.909 1.00 0.00 N ATOM 1160 CA GLY A 431 13.540 9.647 -5.804 1.00 0.00 C ATOM 1161 C GLY A 431 12.276 10.308 -5.295 1.00 0.00 C ATOM 1162 O GLY A 431 11.418 10.707 -6.084 1.00 0.00 O ATOM 0 H GLY A 431 13.363 7.752 -6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 431 14.013 9.097 -4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 431 14.246 10.414 -6.122 1.00 0.00 H new ATOM 1166 N SER A 432 12.157 10.420 -3.975 1.00 0.00 N ATOM 1167 CA SER A 432 10.981 11.032 -3.368 1.00 0.00 C ATOM 1168 C SER A 432 10.755 12.433 -3.920 1.00 0.00 C ATOM 1169 O SER A 432 11.495 13.365 -3.604 1.00 0.00 O ATOM 1170 CB SER A 432 11.137 11.089 -1.847 1.00 0.00 C ATOM 1171 OG SER A 432 10.000 11.676 -1.239 1.00 0.00 O ATOM 0 H SER A 432 12.858 10.096 -3.308 1.00 0.00 H new ATOM 0 HA SER A 432 10.114 10.419 -3.614 1.00 0.00 H new ATOM 0 HB2 SER A 432 11.284 10.082 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 432 12.027 11.663 -1.591 1.00 0.00 H new ATOM 0 HG SER A 432 10.124 11.699 -0.267 1.00 0.00 H new ATOM 1177 N SER A 433 9.725 12.571 -4.749 1.00 0.00 N ATOM 1178 CA SER A 433 9.395 13.857 -5.353 1.00 0.00 C ATOM 1179 C SER A 433 8.050 13.793 -6.072 1.00 0.00 C ATOM 1180 O SER A 433 7.188 14.652 -5.789 1.00 0.00 O ATOM 1181 CB SER A 433 10.490 14.277 -6.337 1.00 0.00 C ATOM 1182 OG SER A 433 10.193 15.529 -6.929 1.00 0.00 O ATOM 1183 OXT SER A 433 7.870 12.885 -6.910 1.00 0.00 O ATOM 0 H SER A 433 9.104 11.808 -5.018 1.00 0.00 H new ATOM 0 HA SER A 433 9.326 14.597 -4.556 1.00 0.00 H new ATOM 0 HB2 SER A 433 11.447 14.335 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 433 10.594 13.520 -7.114 1.00 0.00 H new ATOM 0 HG SER A 433 10.909 15.774 -7.552 1.00 0.00 H new TER 1189 SER A 433