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 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 432 SER OG : rot 60:sc= 0.322 USER MOD Set 2.1: A 396 HIS : no HD1:sc= -0.431 X(o=-0.38,f=-0.4) USER MOD Set 2.2: A 405 THR OG1 : rot 28:sc= 0.0525 USER MOD Set 3.1: A 377 THR OG1 : rot -3:sc= 0.899 USER MOD Set 3.2: A 380 SER OG : rot 172:sc= 1.69 USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= -0.0853 X(o=-0.085,f=0) USER MOD Single : A 357 MET CE :methyl 161:sc= -0.129 (180deg=-0.647) USER MOD Single : A 362 THR OG1 : rot 180:sc=-0.00791 USER MOD Single : A 363 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.39) USER MOD Single : A 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 365 HIS :FLIP no HD1:sc=-0.00462 F(o=-1.2,f=-0.0046) USER MOD Single : A 366 LYS NZ :NH3+ 165:sc= -0.0242 (180deg=-0.286) 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 372 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 373 GLN :FLIP amide:sc= -0.501 F(o=-1.2!,f=-0.5) USER MOD Single : A 382 ASN :FLIP amide:sc= -0.846 F(o=-3.4!,f=-0.85) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN :FLIP amide:sc= -0.475 F(o=-2.9!,f=-0.48) USER MOD Single : A 390 LYS NZ :NH3+ 136:sc= -2.32! (180deg=-3.93!) 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= -0.509 K(o=-0.51,f=-2.3!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.663 F(o=-4.4!,f=-0.66) USER MOD Single : A 402 LYS NZ :NH3+ 166:sc= -0.0548 (180deg=-0.291) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ -167:sc= -0.0433 (180deg=-0.285) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ 133:sc= 0.00372 (180deg=-0.362) USER MOD Single : A 418 THR OG1 : rot -57:sc= 1.13 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 424 THR OG1 : rot 180:sc= -0.0334 USER MOD Single : A 426 ASN : amide:sc= -1.25 K(o=-1.3,f=-7.6!) USER MOD Single : A 427 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 428 ASN : amide:sc= -0.679 K(o=-0.68,f=-5.1!) USER MOD Single : A 429 THR OG1 : rot 22:sc= 0.109 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 22.702 15.773 -21.260 1.00 0.00 N ATOM 2 CA GLY A 354 21.233 15.783 -21.011 1.00 0.00 C ATOM 3 C GLY A 354 20.787 14.635 -20.126 1.00 0.00 C ATOM 4 O GLY A 354 21.168 13.487 -20.348 1.00 0.00 O ATOM 0 HA2 GLY A 354 20.953 16.727 -20.544 1.00 0.00 H new ATOM 0 HA3 GLY A 354 20.706 15.730 -21.963 1.00 0.00 H new ATOM 10 N SER A 355 19.976 14.948 -19.119 1.00 0.00 N ATOM 11 CA SER A 355 19.474 13.939 -18.194 1.00 0.00 C ATOM 12 C SER A 355 18.600 12.917 -18.918 1.00 0.00 C ATOM 13 O SER A 355 17.737 13.280 -19.718 1.00 0.00 O ATOM 14 CB SER A 355 18.678 14.603 -17.068 1.00 0.00 C ATOM 15 OG SER A 355 19.485 15.513 -16.341 1.00 0.00 O ATOM 0 H SER A 355 19.652 15.895 -18.923 1.00 0.00 H new ATOM 0 HA SER A 355 20.330 13.416 -17.767 1.00 0.00 H new ATOM 0 HB2 SER A 355 17.819 15.128 -17.486 1.00 0.00 H new ATOM 0 HB3 SER A 355 18.288 13.840 -16.395 1.00 0.00 H new ATOM 0 HG SER A 355 18.953 15.925 -15.629 1.00 0.00 H new ATOM 21 N HIS A 356 18.831 11.640 -18.630 1.00 0.00 N ATOM 22 CA HIS A 356 18.068 10.561 -19.251 1.00 0.00 C ATOM 23 C HIS A 356 16.597 10.629 -18.848 1.00 0.00 C ATOM 24 O HIS A 356 16.272 10.826 -17.677 1.00 0.00 O ATOM 25 CB HIS A 356 18.656 9.202 -18.863 1.00 0.00 C ATOM 26 CG HIS A 356 20.061 8.991 -19.342 1.00 0.00 C ATOM 27 ND1 HIS A 356 20.778 7.841 -19.082 1.00 0.00 N ATOM 28 CD2 HIS A 356 20.881 9.785 -20.074 1.00 0.00 C ATOM 29 CE1 HIS A 356 21.976 7.938 -19.631 1.00 0.00 C ATOM 30 NE2 HIS A 356 22.063 9.106 -20.239 1.00 0.00 N ATOM 0 H HIS A 356 19.542 11.326 -17.969 1.00 0.00 H new ATOM 0 HA HIS A 356 18.133 10.681 -20.332 1.00 0.00 H new ATOM 0 HB2 HIS A 356 18.634 9.103 -17.778 1.00 0.00 H new ATOM 0 HB3 HIS A 356 18.022 8.413 -19.268 1.00 0.00 H new ATOM 0 HD2 HIS A 356 20.648 10.768 -20.456 1.00 0.00 H new ATOM 0 HE1 HIS A 356 22.752 7.188 -19.589 1.00 0.00 H new ATOM 0 HE2 HIS A 356 22.877 9.449 -20.749 1.00 0.00 H new ATOM 39 N MET A 357 15.714 10.466 -19.830 1.00 0.00 N ATOM 40 CA MET A 357 14.276 10.510 -19.584 1.00 0.00 C ATOM 41 C MET A 357 13.824 9.327 -18.731 1.00 0.00 C ATOM 42 O MET A 357 14.166 8.178 -19.016 1.00 0.00 O ATOM 43 CB MET A 357 13.515 10.520 -20.911 1.00 0.00 C ATOM 44 CG MET A 357 13.877 11.690 -21.812 1.00 0.00 C ATOM 45 SD MET A 357 12.970 11.676 -23.373 1.00 0.00 S ATOM 46 CE MET A 357 11.280 11.813 -22.792 1.00 0.00 C ATOM 0 H MET A 357 15.970 10.302 -20.804 1.00 0.00 H new ATOM 0 HA MET A 357 14.056 11.426 -19.036 1.00 0.00 H new ATOM 0 HB2 MET A 357 13.714 9.589 -21.441 1.00 0.00 H new ATOM 0 HB3 MET A 357 12.445 10.548 -20.706 1.00 0.00 H new ATOM 0 HG2 MET A 357 13.674 12.623 -21.287 1.00 0.00 H new ATOM 0 HG3 MET A 357 14.947 11.667 -22.018 1.00 0.00 H new ATOM 0 HE1 MET A 357 10.641 12.152 -23.608 1.00 0.00 H new ATOM 0 HE2 MET A 357 10.936 10.840 -22.442 1.00 0.00 H new ATOM 0 HE3 MET A 357 11.234 12.531 -21.973 1.00 0.00 H new ATOM 56 N LEU A 358 13.048 9.618 -17.691 1.00 0.00 N ATOM 57 CA LEU A 358 12.535 8.586 -16.794 1.00 0.00 C ATOM 58 C LEU A 358 13.663 7.720 -16.241 1.00 0.00 C ATOM 59 O LEU A 358 13.557 6.494 -16.200 1.00 0.00 O ATOM 60 CB LEU A 358 11.503 7.709 -17.515 1.00 0.00 C ATOM 61 CG LEU A 358 10.181 8.401 -17.862 1.00 0.00 C ATOM 62 CD1 LEU A 358 10.391 9.492 -18.901 1.00 0.00 C ATOM 63 CD2 LEU A 358 9.163 7.383 -18.354 1.00 0.00 C ATOM 0 H LEU A 358 12.759 10.565 -17.447 1.00 0.00 H new ATOM 0 HA LEU A 358 12.050 9.088 -15.957 1.00 0.00 H new ATOM 0 HB2 LEU A 358 11.950 7.334 -18.436 1.00 0.00 H new ATOM 0 HB3 LEU A 358 11.287 6.843 -16.890 1.00 0.00 H new ATOM 0 HG LEU A 358 9.796 8.870 -16.956 1.00 0.00 H new ATOM 0 HD11 LEU A 358 9.436 9.966 -19.129 1.00 0.00 H new ATOM 0 HD12 LEU A 358 11.083 10.238 -18.510 1.00 0.00 H new ATOM 0 HD13 LEU A 358 10.804 9.054 -19.810 1.00 0.00 H new ATOM 0 HD21 LEU A 358 8.229 7.890 -18.596 1.00 0.00 H new ATOM 0 HD22 LEU A 358 9.547 6.885 -19.244 1.00 0.00 H new ATOM 0 HD23 LEU A 358 8.982 6.643 -17.574 1.00 0.00 H new ATOM 75 N GLU A 359 14.743 8.364 -15.813 1.00 0.00 N ATOM 76 CA GLU A 359 15.890 7.652 -15.258 1.00 0.00 C ATOM 77 C GLU A 359 15.510 6.934 -13.966 1.00 0.00 C ATOM 78 O GLU A 359 14.856 7.507 -13.095 1.00 0.00 O ATOM 79 CB GLU A 359 17.044 8.621 -14.993 1.00 0.00 C ATOM 80 CG GLU A 359 18.277 7.953 -14.405 1.00 0.00 C ATOM 81 CD GLU A 359 18.847 6.880 -15.314 1.00 0.00 C ATOM 82 OE1 GLU A 359 19.235 7.212 -16.454 1.00 0.00 O ATOM 83 OE2 GLU A 359 18.905 5.708 -14.885 1.00 0.00 O ATOM 0 H GLU A 359 14.849 9.378 -15.839 1.00 0.00 H new ATOM 0 HA GLU A 359 16.210 6.909 -15.988 1.00 0.00 H new ATOM 0 HB2 GLU A 359 17.317 9.111 -15.927 1.00 0.00 H new ATOM 0 HB3 GLU A 359 16.704 9.401 -14.312 1.00 0.00 H new ATOM 0 HG2 GLU A 359 19.040 8.708 -14.217 1.00 0.00 H new ATOM 0 HG3 GLU A 359 18.022 7.511 -13.442 1.00 0.00 H new ATOM 90 N VAL A 360 15.929 5.678 -13.848 1.00 0.00 N ATOM 91 CA VAL A 360 15.637 4.882 -12.661 1.00 0.00 C ATOM 92 C VAL A 360 16.332 5.460 -11.431 1.00 0.00 C ATOM 93 O VAL A 360 17.507 5.820 -11.481 1.00 0.00 O ATOM 94 CB VAL A 360 16.068 3.415 -12.852 1.00 0.00 C ATOM 95 CG1 VAL A 360 17.560 3.324 -13.144 1.00 0.00 C ATOM 96 CG2 VAL A 360 15.704 2.587 -11.629 1.00 0.00 C ATOM 0 H VAL A 360 16.472 5.189 -14.560 1.00 0.00 H new ATOM 0 HA VAL A 360 14.558 4.914 -12.509 1.00 0.00 H new ATOM 0 HB VAL A 360 15.531 3.010 -13.710 1.00 0.00 H new ATOM 0 HG11 VAL A 360 17.842 2.279 -13.275 1.00 0.00 H new ATOM 0 HG12 VAL A 360 17.787 3.878 -14.055 1.00 0.00 H new ATOM 0 HG13 VAL A 360 18.120 3.749 -12.311 1.00 0.00 H new ATOM 0 HG21 VAL A 360 16.016 1.554 -11.783 1.00 0.00 H new ATOM 0 HG22 VAL A 360 16.209 2.992 -10.752 1.00 0.00 H new ATOM 0 HG23 VAL A 360 14.626 2.621 -11.475 1.00 0.00 H new ATOM 106 N LEU A 361 15.594 5.552 -10.329 1.00 0.00 N ATOM 107 CA LEU A 361 16.141 6.090 -9.087 1.00 0.00 C ATOM 108 C LEU A 361 17.146 5.121 -8.469 1.00 0.00 C ATOM 109 O LEU A 361 18.264 5.506 -8.128 1.00 0.00 O ATOM 110 CB LEU A 361 15.020 6.388 -8.085 1.00 0.00 C ATOM 111 CG LEU A 361 14.051 7.508 -8.486 1.00 0.00 C ATOM 112 CD1 LEU A 361 13.213 7.100 -9.688 1.00 0.00 C ATOM 113 CD2 LEU A 361 13.156 7.877 -7.312 1.00 0.00 C ATOM 0 H LEU A 361 14.618 5.262 -10.270 1.00 0.00 H new ATOM 0 HA LEU A 361 16.656 7.020 -9.326 1.00 0.00 H new ATOM 0 HB2 LEU A 361 14.446 5.475 -7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 361 15.472 6.649 -7.128 1.00 0.00 H new ATOM 0 HG LEU A 361 14.638 8.382 -8.767 1.00 0.00 H new ATOM 0 HD11 LEU A 361 12.535 7.912 -9.951 1.00 0.00 H new ATOM 0 HD12 LEU A 361 13.868 6.886 -10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 361 12.635 6.209 -9.443 1.00 0.00 H new ATOM 0 HD21 LEU A 361 12.474 8.673 -7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 361 12.582 7.003 -7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 361 13.771 8.220 -6.480 1.00 0.00 H new ATOM 125 N THR A 362 16.737 3.863 -8.325 1.00 0.00 N ATOM 126 CA THR A 362 17.598 2.837 -7.745 1.00 0.00 C ATOM 127 C THR A 362 18.683 2.400 -8.733 1.00 0.00 C ATOM 128 O THR A 362 19.246 3.229 -9.450 1.00 0.00 O ATOM 129 CB THR A 362 16.776 1.609 -7.304 1.00 0.00 C ATOM 130 OG1 THR A 362 16.101 1.038 -8.432 1.00 0.00 O ATOM 131 CG2 THR A 362 15.760 1.993 -6.240 1.00 0.00 C ATOM 0 H THR A 362 15.814 3.530 -8.602 1.00 0.00 H new ATOM 0 HA THR A 362 18.077 3.275 -6.870 1.00 0.00 H new ATOM 0 HB THR A 362 17.461 0.874 -6.882 1.00 0.00 H new ATOM 0 HG1 THR A 362 15.583 0.258 -8.143 1.00 0.00 H new ATOM 0 HG21 THR A 362 15.192 1.111 -5.944 1.00 0.00 H new ATOM 0 HG22 THR A 362 16.279 2.399 -5.371 1.00 0.00 H new ATOM 0 HG23 THR A 362 15.080 2.745 -6.641 1.00 0.00 H new ATOM 139 N GLN A 363 18.971 1.095 -8.763 1.00 0.00 N ATOM 140 CA GLN A 363 19.986 0.538 -9.661 1.00 0.00 C ATOM 141 C GLN A 363 21.388 1.029 -9.292 1.00 0.00 C ATOM 142 O GLN A 363 22.376 0.639 -9.914 1.00 0.00 O ATOM 143 CB GLN A 363 19.662 0.892 -11.117 1.00 0.00 C ATOM 144 CG GLN A 363 20.579 0.228 -12.130 1.00 0.00 C ATOM 145 CD GLN A 363 20.204 0.559 -13.562 1.00 0.00 C ATOM 146 OE1 GLN A 363 20.201 1.723 -13.962 1.00 0.00 O ATOM 147 NE2 GLN A 363 19.886 -0.468 -14.341 1.00 0.00 N ATOM 0 H GLN A 363 18.512 0.402 -8.172 1.00 0.00 H new ATOM 0 HA GLN A 363 19.972 -0.546 -9.550 1.00 0.00 H new ATOM 0 HB2 GLN A 363 18.632 0.605 -11.330 1.00 0.00 H new ATOM 0 HB3 GLN A 363 19.723 1.973 -11.240 1.00 0.00 H new ATOM 0 HG2 GLN A 363 21.606 0.542 -11.945 1.00 0.00 H new ATOM 0 HG3 GLN A 363 20.546 -0.853 -11.990 1.00 0.00 H new ATOM 0 HE21 GLN A 363 19.902 -1.417 -13.966 1.00 0.00 H new ATOM 0 HE22 GLN A 363 19.625 -0.308 -15.314 1.00 0.00 H new ATOM 156 N LYS A 364 21.470 1.879 -8.273 1.00 0.00 N ATOM 157 CA LYS A 364 22.753 2.410 -7.824 1.00 0.00 C ATOM 158 C LYS A 364 22.667 2.895 -6.380 1.00 0.00 C ATOM 159 O LYS A 364 21.719 3.588 -6.008 1.00 0.00 O ATOM 160 CB LYS A 364 23.204 3.554 -8.737 1.00 0.00 C ATOM 161 CG LYS A 364 22.239 4.730 -8.768 1.00 0.00 C ATOM 162 CD LYS A 364 22.744 5.847 -9.672 1.00 0.00 C ATOM 163 CE LYS A 364 24.066 6.417 -9.180 1.00 0.00 C ATOM 164 NZ LYS A 364 24.564 7.503 -10.066 1.00 0.00 N ATOM 0 H LYS A 364 20.665 2.214 -7.743 1.00 0.00 H new ATOM 0 HA LYS A 364 23.488 1.606 -7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 364 24.181 3.906 -8.407 1.00 0.00 H new ATOM 0 HB3 LYS A 364 23.328 3.171 -9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 364 21.264 4.392 -9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 364 22.100 5.114 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 364 22.867 5.467 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 364 22.000 6.642 -9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 364 23.941 6.802 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 364 24.808 5.621 -9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 25.466 7.865 -9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 24.707 7.130 -11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 23.867 8.274 -10.095 1.00 0.00 H new ATOM 178 N HIS A 365 23.667 2.523 -5.577 1.00 0.00 N ATOM 179 CA HIS A 365 23.728 2.910 -4.164 1.00 0.00 C ATOM 180 C HIS A 365 22.702 2.147 -3.324 1.00 0.00 C ATOM 181 O HIS A 365 22.959 1.824 -2.165 1.00 0.00 O ATOM 182 CB HIS A 365 23.519 4.420 -4.003 1.00 0.00 C ATOM 183 CG HIS A 365 23.588 4.887 -2.581 1.00 0.00 C ATOM 184 ND1 HIS A 365 22.668 5.511 -1.807 1.00 0.00 N flip ATOM 185 CD2 HIS A 365 24.708 4.732 -1.792 1.00 0.00 C flip ATOM 186 CE1 HIS A 365 23.244 5.717 -0.579 1.00 0.00 C flip ATOM 187 NE2 HIS A 365 24.474 5.238 -0.593 1.00 0.00 N flip ATOM 0 H HIS A 365 24.452 1.949 -5.884 1.00 0.00 H new ATOM 0 HA HIS A 365 24.722 2.649 -3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 365 24.274 4.947 -4.587 1.00 0.00 H new ATOM 0 HB3 HIS A 365 22.548 4.690 -4.419 1.00 0.00 H new ATOM 0 HD2 HIS A 365 25.632 4.269 -2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 365 22.767 6.195 0.264 1.00 0.00 H new ATOM 0 HE2 HIS A 365 25.131 5.255 0.187 1.00 0.00 H new ATOM 196 N LYS A 366 21.540 1.869 -3.913 1.00 0.00 N ATOM 197 CA LYS A 366 20.474 1.152 -3.218 1.00 0.00 C ATOM 198 C LYS A 366 20.002 1.926 -1.988 1.00 0.00 C ATOM 199 O LYS A 366 20.097 1.439 -0.862 1.00 0.00 O ATOM 200 CB LYS A 366 20.938 -0.250 -2.816 1.00 0.00 C ATOM 201 CG LYS A 366 21.395 -1.100 -3.989 1.00 0.00 C ATOM 202 CD LYS A 366 21.839 -2.481 -3.537 1.00 0.00 C ATOM 203 CE LYS A 366 22.331 -3.320 -4.705 1.00 0.00 C ATOM 204 NZ LYS A 366 23.487 -2.686 -5.396 1.00 0.00 N ATOM 0 H LYS A 366 21.313 2.131 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 366 19.633 1.057 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 366 21.757 -0.162 -2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 366 20.122 -0.761 -2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 366 20.582 -1.196 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 366 22.218 -0.602 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 366 22.634 -2.384 -2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 366 21.008 -2.989 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 366 22.620 -4.308 -4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 366 21.518 -3.465 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 23.951 -3.386 -6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 23.152 -1.888 -5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 24.167 -2.341 -4.689 1.00 0.00 H new ATOM 218 N PRO A 367 19.478 3.149 -2.192 1.00 0.00 N ATOM 219 CA PRO A 367 18.985 3.989 -1.108 1.00 0.00 C ATOM 220 C PRO A 367 17.560 3.627 -0.702 1.00 0.00 C ATOM 221 O PRO A 367 16.677 4.485 -0.670 1.00 0.00 O ATOM 222 CB PRO A 367 19.043 5.385 -1.708 1.00 0.00 C ATOM 223 CG PRO A 367 18.822 5.188 -3.167 1.00 0.00 C ATOM 224 CD PRO A 367 19.313 3.802 -3.505 1.00 0.00 C ATOM 0 HA PRO A 367 19.569 3.880 -0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 367 18.279 6.032 -1.277 1.00 0.00 H new ATOM 0 HB3 PRO A 367 20.006 5.858 -1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 367 17.766 5.294 -3.415 1.00 0.00 H new ATOM 0 HG3 PRO A 367 19.361 5.939 -3.744 1.00 0.00 H new ATOM 0 HD2 PRO A 367 18.598 3.267 -4.129 1.00 0.00 H new ATOM 0 HD3 PRO A 367 20.254 3.835 -4.055 1.00 0.00 H new ATOM 232 N ALA A 368 17.347 2.346 -0.405 1.00 0.00 N ATOM 233 CA ALA A 368 16.032 1.845 -0.011 1.00 0.00 C ATOM 234 C ALA A 368 15.057 1.891 -1.180 1.00 0.00 C ATOM 235 O ALA A 368 14.981 2.888 -1.901 1.00 0.00 O ATOM 236 CB ALA A 368 15.487 2.635 1.173 1.00 0.00 C ATOM 0 H ALA A 368 18.075 1.632 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 368 16.146 0.804 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 368 14.507 2.246 1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 368 16.168 2.539 2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 368 15.395 3.686 0.898 1.00 0.00 H new ATOM 242 N GLU A 369 14.319 0.801 -1.367 1.00 0.00 N ATOM 243 CA GLU A 369 13.351 0.699 -2.452 1.00 0.00 C ATOM 244 C GLU A 369 12.425 1.908 -2.480 1.00 0.00 C ATOM 245 O GLU A 369 11.890 2.321 -1.451 1.00 0.00 O ATOM 246 CB GLU A 369 12.530 -0.581 -2.309 1.00 0.00 C ATOM 247 CG GLU A 369 13.373 -1.846 -2.317 1.00 0.00 C ATOM 248 CD GLU A 369 12.538 -3.103 -2.173 1.00 0.00 C ATOM 249 OE1 GLU A 369 11.837 -3.235 -1.148 1.00 0.00 O ATOM 250 OE2 GLU A 369 12.586 -3.955 -3.085 1.00 0.00 O ATOM 0 H GLU A 369 14.374 -0.029 -0.776 1.00 0.00 H new ATOM 0 HA GLU A 369 13.903 0.670 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 369 11.963 -0.538 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 369 11.806 -0.631 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 369 13.939 -1.895 -3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 369 14.098 -1.800 -1.504 1.00 0.00 H new ATOM 257 N SER A 370 12.244 2.466 -3.672 1.00 0.00 N ATOM 258 CA SER A 370 11.384 3.630 -3.856 1.00 0.00 C ATOM 259 C SER A 370 11.209 3.943 -5.340 1.00 0.00 C ATOM 260 O SER A 370 12.161 3.868 -6.117 1.00 0.00 O ATOM 261 CB SER A 370 11.968 4.848 -3.135 1.00 0.00 C ATOM 262 OG SER A 370 13.258 5.165 -3.630 1.00 0.00 O ATOM 0 H SER A 370 12.683 2.129 -4.529 1.00 0.00 H new ATOM 0 HA SER A 370 10.408 3.399 -3.429 1.00 0.00 H new ATOM 0 HB2 SER A 370 11.305 5.703 -3.265 1.00 0.00 H new ATOM 0 HB3 SER A 370 12.025 4.648 -2.065 1.00 0.00 H new ATOM 0 HG SER A 370 13.608 5.947 -3.154 1.00 0.00 H new ATOM 268 N GLN A 371 9.984 4.293 -5.722 1.00 0.00 N ATOM 269 CA GLN A 371 9.678 4.617 -7.112 1.00 0.00 C ATOM 270 C GLN A 371 8.291 5.240 -7.231 1.00 0.00 C ATOM 271 O GLN A 371 8.109 6.243 -7.923 1.00 0.00 O ATOM 272 CB GLN A 371 9.761 3.359 -7.981 1.00 0.00 C ATOM 273 CG GLN A 371 9.460 3.612 -9.448 1.00 0.00 C ATOM 274 CD GLN A 371 9.509 2.345 -10.277 1.00 0.00 C ATOM 275 OE1 GLN A 371 10.544 1.683 -10.362 1.00 0.00 O ATOM 276 NE2 GLN A 371 8.386 1.999 -10.894 1.00 0.00 N ATOM 0 H GLN A 371 9.187 4.360 -5.089 1.00 0.00 H new ATOM 0 HA GLN A 371 10.414 5.341 -7.462 1.00 0.00 H new ATOM 0 HB2 GLN A 371 10.760 2.932 -7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 371 9.061 2.616 -7.598 1.00 0.00 H new ATOM 0 HG2 GLN A 371 8.473 4.065 -9.540 1.00 0.00 H new ATOM 0 HG3 GLN A 371 10.178 4.330 -9.844 1.00 0.00 H new ATOM 0 HE21 GLN A 371 7.551 2.577 -10.796 1.00 0.00 H new ATOM 0 HE22 GLN A 371 8.358 1.155 -11.466 1.00 0.00 H new ATOM 285 N GLN A 372 7.317 4.644 -6.550 1.00 0.00 N ATOM 286 CA GLN A 372 5.944 5.142 -6.575 1.00 0.00 C ATOM 287 C GLN A 372 5.255 4.892 -5.238 1.00 0.00 C ATOM 288 O GLN A 372 5.270 3.776 -4.718 1.00 0.00 O ATOM 289 CB GLN A 372 5.151 4.474 -7.702 1.00 0.00 C ATOM 290 CG GLN A 372 5.693 4.765 -9.093 1.00 0.00 C ATOM 291 CD GLN A 372 4.894 4.081 -10.187 1.00 0.00 C ATOM 292 OE1 GLN A 372 4.790 2.855 -10.221 1.00 0.00 O ATOM 293 NE2 GLN A 372 4.326 4.873 -11.090 1.00 0.00 N ATOM 0 H GLN A 372 7.453 3.814 -5.973 1.00 0.00 H new ATOM 0 HA GLN A 372 5.978 6.216 -6.755 1.00 0.00 H new ATOM 0 HB2 GLN A 372 5.149 3.396 -7.542 1.00 0.00 H new ATOM 0 HB3 GLN A 372 4.114 4.806 -7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 372 5.687 5.842 -9.263 1.00 0.00 H new ATOM 0 HG3 GLN A 372 6.732 4.439 -9.149 1.00 0.00 H new ATOM 0 HE21 GLN A 372 4.438 5.885 -11.024 1.00 0.00 H new ATOM 0 HE22 GLN A 372 3.778 4.469 -11.850 1.00 0.00 H new ATOM 302 N GLN A 373 4.656 5.942 -4.685 1.00 0.00 N ATOM 303 CA GLN A 373 3.964 5.847 -3.405 1.00 0.00 C ATOM 304 C GLN A 373 2.704 4.996 -3.512 1.00 0.00 C ATOM 305 O GLN A 373 2.389 4.458 -4.573 1.00 0.00 O ATOM 306 CB GLN A 373 3.605 7.242 -2.892 1.00 0.00 C ATOM 307 CG GLN A 373 4.817 8.090 -2.548 1.00 0.00 C ATOM 308 CD GLN A 373 4.456 9.488 -2.076 1.00 0.00 C ATOM 309 OE1 GLN A 373 3.162 9.796 -2.037 1.00 0.00 O flip ATOM 310 NE2 GLN A 373 5.333 10.287 -1.748 1.00 0.00 N flip ATOM 0 H GLN A 373 4.636 6.871 -5.105 1.00 0.00 H new ATOM 0 HA GLN A 373 4.640 5.364 -2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 373 3.013 7.758 -3.648 1.00 0.00 H new ATOM 0 HB3 GLN A 373 2.976 7.145 -2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 373 5.394 7.589 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 373 5.461 8.165 -3.425 1.00 0.00 H new ATOM 0 HE21 GLN A 373 6.315 10.013 -1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 373 5.078 11.223 -1.432 1.00 0.00 H new ATOM 319 N ALA A 374 1.987 4.888 -2.398 1.00 0.00 N ATOM 320 CA ALA A 374 0.754 4.110 -2.345 1.00 0.00 C ATOM 321 C ALA A 374 -0.292 4.679 -3.297 1.00 0.00 C ATOM 322 O ALA A 374 -0.401 5.895 -3.459 1.00 0.00 O ATOM 323 CB ALA A 374 0.213 4.074 -0.923 1.00 0.00 C ATOM 0 H ALA A 374 2.240 5.332 -1.515 1.00 0.00 H new ATOM 0 HA ALA A 374 0.981 3.092 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 374 -0.707 3.490 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 374 0.951 3.616 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 374 0.007 5.090 -0.586 1.00 0.00 H new ATOM 329 N ALA A 375 -1.055 3.791 -3.928 1.00 0.00 N ATOM 330 CA ALA A 375 -2.093 4.201 -4.868 1.00 0.00 C ATOM 331 C ALA A 375 -3.346 4.668 -4.139 1.00 0.00 C ATOM 332 O ALA A 375 -4.436 4.138 -4.344 1.00 0.00 O ATOM 333 CB ALA A 375 -2.420 3.068 -5.829 1.00 0.00 C ATOM 0 H ALA A 375 -0.974 2.782 -3.805 1.00 0.00 H new ATOM 0 HA ALA A 375 -1.711 5.044 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.196 3.392 -6.523 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.525 2.795 -6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -2.774 2.204 -5.266 1.00 0.00 H new ATOM 339 N GLU A 376 -3.173 5.661 -3.285 1.00 0.00 N ATOM 340 CA GLU A 376 -4.276 6.216 -2.512 1.00 0.00 C ATOM 341 C GLU A 376 -5.118 7.175 -3.341 1.00 0.00 C ATOM 342 O GLU A 376 -5.051 8.394 -3.180 1.00 0.00 O ATOM 343 CB GLU A 376 -3.744 6.920 -1.269 1.00 0.00 C ATOM 344 CG GLU A 376 -2.697 7.976 -1.574 1.00 0.00 C ATOM 345 CD GLU A 376 -2.017 8.507 -0.327 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.351 8.035 0.780 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.148 9.395 -0.456 1.00 0.00 O ATOM 0 H GLU A 376 -2.272 6.105 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 376 -4.919 5.389 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.576 7.386 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.315 6.178 -0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -1.945 7.554 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.166 8.803 -2.107 1.00 0.00 H new ATOM 354 N THR A 377 -5.922 6.604 -4.215 1.00 0.00 N ATOM 355 CA THR A 377 -6.803 7.382 -5.071 1.00 0.00 C ATOM 356 C THR A 377 -8.137 6.677 -5.250 1.00 0.00 C ATOM 357 O THR A 377 -8.198 5.451 -5.328 1.00 0.00 O ATOM 358 CB THR A 377 -6.185 7.640 -6.456 1.00 0.00 C ATOM 359 OG1 THR A 377 -5.866 6.398 -7.093 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.932 8.495 -6.341 1.00 0.00 C ATOM 0 H THR A 377 -5.985 5.595 -4.354 1.00 0.00 H new ATOM 0 HA THR A 377 -6.953 8.341 -4.576 1.00 0.00 H new ATOM 0 HB THR A 377 -6.917 8.177 -7.059 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.074 5.657 -6.487 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.514 8.663 -7.333 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.186 9.453 -5.887 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.197 7.982 -5.720 1.00 0.00 H new ATOM 368 N GLU A 378 -9.204 7.463 -5.306 1.00 0.00 N ATOM 369 CA GLU A 378 -10.544 6.917 -5.470 1.00 0.00 C ATOM 370 C GLU A 378 -10.605 6.026 -6.700 1.00 0.00 C ATOM 371 O GLU A 378 -11.257 4.984 -6.697 1.00 0.00 O ATOM 372 CB GLU A 378 -11.563 8.049 -5.596 1.00 0.00 C ATOM 373 CG GLU A 378 -13.003 7.569 -5.679 1.00 0.00 C ATOM 374 CD GLU A 378 -13.992 8.712 -5.793 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.025 9.561 -4.879 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.732 8.759 -6.798 1.00 0.00 O ATOM 0 H GLU A 378 -9.167 8.480 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.785 6.319 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.460 8.715 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.333 8.636 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.114 6.910 -6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.237 6.978 -4.794 1.00 0.00 H new ATOM 383 N GLY A 379 -9.922 6.458 -7.749 1.00 0.00 N ATOM 384 CA GLY A 379 -9.904 5.707 -8.986 1.00 0.00 C ATOM 385 C GLY A 379 -9.255 4.345 -8.858 1.00 0.00 C ATOM 386 O GLY A 379 -9.711 3.383 -9.471 1.00 0.00 O ATOM 0 H GLY A 379 -9.377 7.320 -7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -10.927 5.581 -9.340 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.373 6.283 -9.744 1.00 0.00 H new ATOM 390 N SER A 380 -8.185 4.256 -8.075 1.00 0.00 N ATOM 391 CA SER A 380 -7.488 2.986 -7.903 1.00 0.00 C ATOM 392 C SER A 380 -8.288 2.029 -7.024 1.00 0.00 C ATOM 393 O SER A 380 -8.457 0.857 -7.359 1.00 0.00 O ATOM 394 CB SER A 380 -6.108 3.223 -7.295 1.00 0.00 C ATOM 395 OG SER A 380 -6.212 3.867 -6.040 1.00 0.00 O ATOM 0 H SER A 380 -7.785 5.037 -7.555 1.00 0.00 H new ATOM 0 HA SER A 380 -7.376 2.528 -8.886 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.590 2.271 -7.178 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.508 3.831 -7.972 1.00 0.00 H new ATOM 0 HG SER A 380 -5.331 3.892 -5.611 1.00 0.00 H new ATOM 401 N CYS A 381 -8.764 2.541 -5.897 1.00 0.00 N ATOM 402 CA CYS A 381 -9.534 1.746 -4.944 1.00 0.00 C ATOM 403 C CYS A 381 -10.743 1.073 -5.588 1.00 0.00 C ATOM 404 O CYS A 381 -10.970 -0.122 -5.392 1.00 0.00 O ATOM 405 CB CYS A 381 -9.985 2.629 -3.784 1.00 0.00 C ATOM 406 SG CYS A 381 -8.610 3.296 -2.799 1.00 0.00 S ATOM 0 H CYS A 381 -8.630 3.513 -5.617 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.882 0.953 -4.578 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.575 3.457 -4.177 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.641 2.052 -3.133 1.00 0.00 H new ATOM 411 N ASN A 382 -11.519 1.839 -6.348 1.00 0.00 N ATOM 412 CA ASN A 382 -12.707 1.301 -7.008 1.00 0.00 C ATOM 413 C ASN A 382 -12.351 0.076 -7.840 1.00 0.00 C ATOM 414 O ASN A 382 -13.136 -0.864 -7.954 1.00 0.00 O ATOM 415 CB ASN A 382 -13.350 2.364 -7.901 1.00 0.00 C ATOM 416 CG ASN A 382 -13.756 3.612 -7.138 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.508 3.627 -5.833 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.289 4.558 -7.719 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.349 2.830 -6.523 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.419 1.007 -6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.651 2.639 -8.691 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.229 1.940 -8.387 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.463 4.508 -8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.557 5.392 -7.196 1.00 0.00 H new ATOM 425 N LYS A 383 -11.161 0.105 -8.425 1.00 0.00 N ATOM 426 CA LYS A 383 -10.685 -0.988 -9.258 1.00 0.00 C ATOM 427 C LYS A 383 -10.257 -2.185 -8.413 1.00 0.00 C ATOM 428 O LYS A 383 -10.357 -3.331 -8.853 1.00 0.00 O ATOM 429 CB LYS A 383 -9.515 -0.511 -10.119 1.00 0.00 C ATOM 430 CG LYS A 383 -9.815 0.762 -10.897 1.00 0.00 C ATOM 431 CD LYS A 383 -10.947 0.563 -11.893 1.00 0.00 C ATOM 432 CE LYS A 383 -10.577 -0.451 -12.965 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.681 -0.654 -13.942 1.00 0.00 N ATOM 0 H LYS A 383 -10.504 0.880 -8.336 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.505 -1.307 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.649 -0.341 -9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.244 -1.301 -10.820 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.079 1.559 -10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.918 1.084 -11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.841 0.228 -11.367 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.192 1.516 -12.362 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -9.684 -0.113 -13.491 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.329 -1.402 -12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.389 -1.352 -14.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.526 -1.001 -13.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.901 0.248 -14.410 1.00 0.00 H new ATOM 447 N LYS A 384 -9.761 -1.915 -7.207 1.00 0.00 N ATOM 448 CA LYS A 384 -9.300 -2.966 -6.319 1.00 0.00 C ATOM 449 C LYS A 384 -10.413 -3.934 -5.958 1.00 0.00 C ATOM 450 O LYS A 384 -11.560 -3.782 -6.381 1.00 0.00 O ATOM 451 CB LYS A 384 -8.726 -2.358 -5.049 1.00 0.00 C ATOM 452 CG LYS A 384 -7.758 -1.227 -5.324 1.00 0.00 C ATOM 453 CD LYS A 384 -6.628 -1.631 -6.247 1.00 0.00 C ATOM 454 CE LYS A 384 -5.967 -2.861 -5.720 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.546 -2.978 -6.154 1.00 0.00 N ATOM 0 H LYS A 384 -9.670 -0.973 -6.827 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.528 -3.524 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.542 -1.988 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.217 -3.135 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.300 -0.391 -5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.341 -0.874 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.012 -1.814 -7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.902 -0.821 -6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -6.011 -2.855 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.519 -3.738 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -4.134 -3.848 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.502 -3.012 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -4.010 -2.156 -5.811 1.00 0.00 H new ATOM 469 N ASP A 385 -10.051 -4.917 -5.151 1.00 0.00 N ATOM 470 CA ASP A 385 -10.988 -5.932 -4.682 1.00 0.00 C ATOM 471 C ASP A 385 -10.794 -6.160 -3.188 1.00 0.00 C ATOM 472 O ASP A 385 -10.183 -5.341 -2.509 1.00 0.00 O ATOM 473 CB ASP A 385 -10.781 -7.251 -5.438 1.00 0.00 C ATOM 474 CG ASP A 385 -11.152 -7.163 -6.908 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.651 -6.103 -7.337 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.954 -8.164 -7.628 1.00 0.00 O ATOM 0 H ASP A 385 -9.100 -5.037 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.003 -5.580 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.737 -7.552 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.378 -8.031 -4.965 1.00 0.00 H new ATOM 481 N GLN A 386 -11.300 -7.275 -2.677 1.00 0.00 N ATOM 482 CA GLN A 386 -11.157 -7.582 -1.259 1.00 0.00 C ATOM 483 C GLN A 386 -9.688 -7.775 -0.900 1.00 0.00 C ATOM 484 O GLN A 386 -9.138 -7.043 -0.076 1.00 0.00 O ATOM 485 CB GLN A 386 -11.954 -8.840 -0.907 1.00 0.00 C ATOM 486 CG GLN A 386 -11.890 -9.214 0.565 1.00 0.00 C ATOM 487 CD GLN A 386 -12.685 -10.466 0.882 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.401 -11.544 0.359 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.689 -10.328 1.739 1.00 0.00 N ATOM 0 H GLN A 386 -11.808 -7.976 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.549 -6.744 -0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.996 -8.690 -1.189 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.580 -9.674 -1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.850 -9.366 0.853 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.269 -8.386 1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.888 -9.415 2.148 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.261 -11.135 1.988 1.00 0.00 H new ATOM 498 N ASN A 387 -9.057 -8.757 -1.533 1.00 0.00 N ATOM 499 CA ASN A 387 -7.649 -9.048 -1.290 1.00 0.00 C ATOM 500 C ASN A 387 -6.759 -8.034 -1.997 1.00 0.00 C ATOM 501 O ASN A 387 -5.569 -8.270 -2.207 1.00 0.00 O ATOM 502 CB ASN A 387 -7.321 -10.453 -1.784 1.00 0.00 C ATOM 503 CG ASN A 387 -5.971 -10.955 -1.310 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.339 -10.215 -0.408 1.00 0.00 O flip ATOM 505 ND2 ASN A 387 -5.508 -12.012 -1.740 1.00 0.00 N flip ATOM 0 H ASN A 387 -9.500 -9.367 -2.220 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.462 -8.985 -0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -8.096 -11.140 -1.445 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.342 -10.462 -2.874 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.026 -12.551 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.606 -12.348 -1.403 1.00 0.00 H new ATOM 512 N GLU A 388 -7.349 -6.910 -2.368 1.00 0.00 N ATOM 513 CA GLU A 388 -6.621 -5.855 -3.060 1.00 0.00 C ATOM 514 C GLU A 388 -6.961 -4.493 -2.481 1.00 0.00 C ATOM 515 O GLU A 388 -6.274 -3.508 -2.752 1.00 0.00 O ATOM 516 CB GLU A 388 -6.938 -5.887 -4.555 1.00 0.00 C ATOM 517 CG GLU A 388 -6.570 -7.200 -5.227 1.00 0.00 C ATOM 518 CD GLU A 388 -6.888 -7.204 -6.709 1.00 0.00 C ATOM 519 OE1 GLU A 388 -8.075 -7.030 -7.062 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.952 -7.378 -7.516 1.00 0.00 O ATOM 0 H GLU A 388 -8.334 -6.702 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.554 -6.029 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.003 -5.702 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.405 -5.074 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.506 -7.390 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.106 -8.015 -4.742 1.00 0.00 H new ATOM 527 N CYS A 389 -8.015 -4.439 -1.674 1.00 0.00 N ATOM 528 CA CYS A 389 -8.419 -3.185 -1.059 1.00 0.00 C ATOM 529 C CYS A 389 -7.271 -2.671 -0.199 1.00 0.00 C ATOM 530 O CYS A 389 -7.012 -3.183 0.891 1.00 0.00 O ATOM 531 CB CYS A 389 -9.694 -3.379 -0.231 1.00 0.00 C ATOM 532 SG CYS A 389 -10.582 -1.830 0.128 1.00 0.00 S ATOM 0 H CYS A 389 -8.598 -5.241 -1.434 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.644 -2.448 -1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.363 -4.055 -0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.434 -3.864 0.710 1.00 0.00 H new ATOM 537 N LYS A 390 -6.554 -1.688 -0.731 1.00 0.00 N ATOM 538 CA LYS A 390 -5.389 -1.125 -0.061 1.00 0.00 C ATOM 539 C LYS A 390 -5.748 -0.304 1.175 1.00 0.00 C ATOM 540 O LYS A 390 -6.900 0.087 1.368 1.00 0.00 O ATOM 541 CB LYS A 390 -4.582 -0.297 -1.052 1.00 0.00 C ATOM 542 CG LYS A 390 -4.084 -1.115 -2.236 1.00 0.00 C ATOM 543 CD LYS A 390 -3.157 -0.309 -3.131 1.00 0.00 C ATOM 544 CE LYS A 390 -1.878 0.079 -2.403 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.943 0.829 -3.285 1.00 0.00 N ATOM 0 H LYS A 390 -6.762 -1.261 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.785 -1.957 0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.197 0.525 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.729 0.147 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.560 -1.999 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.936 -1.467 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.909 -0.891 -4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.670 0.590 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.126 0.689 -1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.385 -0.819 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.552 1.641 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.168 0.202 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.455 1.169 -4.124 1.00 0.00 H new ATOM 559 N SER A 391 -4.739 -0.077 2.018 1.00 0.00 N ATOM 560 CA SER A 391 -4.907 0.670 3.265 1.00 0.00 C ATOM 561 C SER A 391 -5.661 1.984 3.057 1.00 0.00 C ATOM 562 O SER A 391 -6.656 2.234 3.738 1.00 0.00 O ATOM 563 CB SER A 391 -3.545 0.942 3.907 1.00 0.00 C ATOM 564 OG SER A 391 -3.686 1.631 5.137 1.00 0.00 O ATOM 0 H SER A 391 -3.787 -0.404 1.856 1.00 0.00 H new ATOM 0 HA SER A 391 -5.508 0.052 3.932 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.024 -0.001 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.930 1.531 3.226 1.00 0.00 H new ATOM 0 HG SER A 391 -2.801 1.790 5.526 1.00 0.00 H new ATOM 570 N PRO A 392 -5.219 2.847 2.118 1.00 0.00 N ATOM 571 CA PRO A 392 -5.892 4.118 1.851 1.00 0.00 C ATOM 572 C PRO A 392 -7.366 3.908 1.553 1.00 0.00 C ATOM 573 O PRO A 392 -8.216 4.724 1.912 1.00 0.00 O ATOM 574 CB PRO A 392 -5.172 4.648 0.604 1.00 0.00 C ATOM 575 CG PRO A 392 -4.454 3.476 0.040 1.00 0.00 C ATOM 576 CD PRO A 392 -4.056 2.676 1.229 1.00 0.00 C ATOM 0 HA PRO A 392 -5.849 4.799 2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.881 5.059 -0.115 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.478 5.449 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -5.095 2.902 -0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.584 3.785 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.885 1.629 0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.138 3.049 1.683 1.00 0.00 H new ATOM 584 N CYS A 393 -7.647 2.801 0.883 1.00 0.00 N ATOM 585 CA CYS A 393 -9.004 2.444 0.505 1.00 0.00 C ATOM 586 C CYS A 393 -9.818 1.985 1.706 1.00 0.00 C ATOM 587 O CYS A 393 -9.275 1.459 2.677 1.00 0.00 O ATOM 588 CB CYS A 393 -8.969 1.334 -0.537 1.00 0.00 C ATOM 589 SG CYS A 393 -7.829 1.649 -1.920 1.00 0.00 S ATOM 0 H CYS A 393 -6.942 2.126 0.587 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.482 3.332 0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.683 0.402 -0.050 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.974 1.191 -0.934 1.00 0.00 H new ATOM 594 N LYS A 394 -11.129 2.171 1.617 1.00 0.00 N ATOM 595 CA LYS A 394 -12.037 1.757 2.678 1.00 0.00 C ATOM 596 C LYS A 394 -12.905 0.597 2.217 1.00 0.00 C ATOM 597 O LYS A 394 -13.670 0.716 1.253 1.00 0.00 O ATOM 598 CB LYS A 394 -12.912 2.924 3.140 1.00 0.00 C ATOM 599 CG LYS A 394 -12.174 3.942 3.991 1.00 0.00 C ATOM 600 CD LYS A 394 -13.121 4.997 4.546 1.00 0.00 C ATOM 601 CE LYS A 394 -14.140 4.389 5.498 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.071 5.413 6.047 1.00 0.00 N ATOM 0 H LYS A 394 -11.588 2.608 0.818 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.434 1.428 3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -13.324 3.426 2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.755 2.531 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.671 3.434 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -11.400 4.424 3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -12.548 5.764 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.639 5.490 3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.712 3.622 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.620 3.895 6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -15.749 4.957 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -14.529 6.132 6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.587 5.867 5.266 1.00 0.00 H new ATOM 616 N TRP A 395 -12.769 -0.525 2.913 1.00 0.00 N ATOM 617 CA TRP A 395 -13.519 -1.731 2.598 1.00 0.00 C ATOM 618 C TRP A 395 -14.924 -1.672 3.190 1.00 0.00 C ATOM 619 O TRP A 395 -15.133 -1.100 4.260 1.00 0.00 O ATOM 620 CB TRP A 395 -12.779 -2.959 3.136 1.00 0.00 C ATOM 621 CG TRP A 395 -13.407 -4.259 2.744 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.890 -5.222 3.583 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.608 -4.749 1.413 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.389 -6.275 2.855 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.225 -6.009 1.521 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.329 -4.242 0.141 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.568 -6.768 0.406 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.670 -4.997 -0.965 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.283 -6.247 -0.826 1.00 0.00 C ATOM 0 H TRP A 395 -12.138 -0.623 3.708 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.607 -1.806 1.514 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.750 -2.939 2.776 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.737 -2.899 4.224 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.881 -5.164 4.661 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.812 -7.117 3.244 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.856 -3.278 0.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.042 -7.733 0.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.460 -4.616 -1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.537 -6.813 -1.710 1.00 0.00 H new ATOM 640 N HIS A 396 -15.881 -2.277 2.494 1.00 0.00 N ATOM 641 CA HIS A 396 -17.262 -2.303 2.961 1.00 0.00 C ATOM 642 C HIS A 396 -17.894 -3.664 2.686 1.00 0.00 C ATOM 643 O HIS A 396 -18.011 -4.087 1.529 1.00 0.00 O ATOM 644 CB HIS A 396 -18.083 -1.205 2.284 1.00 0.00 C ATOM 645 CG HIS A 396 -17.519 0.171 2.472 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.345 0.750 3.711 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.088 1.083 1.568 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.831 1.958 3.562 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.667 2.184 2.273 1.00 0.00 N ATOM 0 H HIS A 396 -15.726 -2.755 1.606 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.257 -2.125 4.036 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -18.149 -1.418 1.217 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.099 -1.229 2.677 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -17.077 0.966 0.494 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.587 2.644 4.360 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.288 3.039 1.865 1.00 0.00 H new ATOM 658 N ASN A 397 -18.294 -4.338 3.762 1.00 0.00 N ATOM 659 CA ASN A 397 -18.914 -5.655 3.673 1.00 0.00 C ATOM 660 C ASN A 397 -20.419 -5.542 3.451 1.00 0.00 C ATOM 661 O ASN A 397 -21.003 -4.470 3.615 1.00 0.00 O ATOM 662 CB ASN A 397 -18.634 -6.457 4.946 1.00 0.00 C ATOM 663 CG ASN A 397 -19.153 -5.769 6.194 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.352 -5.529 6.332 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.248 -5.446 7.111 1.00 0.00 N ATOM 0 H ASN A 397 -18.198 -3.987 4.715 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.481 -6.174 2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.095 -7.441 4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.560 -6.615 5.043 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.537 -4.980 7.971 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.264 -5.664 6.955 1.00 0.00 H new ATOM 672 N ASP A 398 -21.037 -6.658 3.072 1.00 0.00 N ATOM 673 CA ASP A 398 -22.473 -6.701 2.821 1.00 0.00 C ATOM 674 C ASP A 398 -22.846 -5.691 1.739 1.00 0.00 C ATOM 675 O ASP A 398 -23.908 -5.069 1.782 1.00 0.00 O ATOM 676 CB ASP A 398 -23.247 -6.417 4.114 1.00 0.00 C ATOM 677 CG ASP A 398 -24.691 -6.880 4.050 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.443 -6.379 3.188 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.071 -7.746 4.865 1.00 0.00 O ATOM 0 H ASP A 398 -20.561 -7.549 2.932 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.741 -7.698 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.748 -6.913 4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.222 -5.347 4.319 1.00 0.00 H new ATOM 684 N ALA A 399 -21.955 -5.536 0.768 1.00 0.00 N ATOM 685 CA ALA A 399 -22.168 -4.612 -0.336 1.00 0.00 C ATOM 686 C ALA A 399 -22.800 -5.325 -1.526 1.00 0.00 C ATOM 687 O ALA A 399 -22.617 -6.529 -1.704 1.00 0.00 O ATOM 688 CB ALA A 399 -20.853 -3.961 -0.740 1.00 0.00 C ATOM 0 H ALA A 399 -21.071 -6.043 0.724 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.855 -3.834 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.027 -3.272 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.442 -3.413 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.147 -4.731 -1.051 1.00 0.00 H new ATOM 694 N GLU A 400 -23.543 -4.576 -2.336 1.00 0.00 N ATOM 695 CA GLU A 400 -24.199 -5.138 -3.513 1.00 0.00 C ATOM 696 C GLU A 400 -23.200 -5.917 -4.362 1.00 0.00 C ATOM 697 O GLU A 400 -23.570 -6.843 -5.084 1.00 0.00 O ATOM 698 CB GLU A 400 -24.839 -4.029 -4.351 1.00 0.00 C ATOM 699 CG GLU A 400 -25.890 -3.227 -3.603 1.00 0.00 C ATOM 700 CD GLU A 400 -26.528 -2.155 -4.465 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.127 -2.507 -5.503 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.429 -0.965 -4.102 1.00 0.00 O ATOM 0 H GLU A 400 -23.706 -3.578 -2.199 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.979 -5.819 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.058 -3.353 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.295 -4.472 -5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.664 -3.902 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.433 -2.762 -2.730 1.00 0.00 H new ATOM 709 N ASN A 401 -21.931 -5.533 -4.264 1.00 0.00 N ATOM 710 CA ASN A 401 -20.870 -6.189 -5.015 1.00 0.00 C ATOM 711 C ASN A 401 -19.500 -5.808 -4.463 1.00 0.00 C ATOM 712 O ASN A 401 -18.564 -5.547 -5.220 1.00 0.00 O ATOM 713 CB ASN A 401 -20.964 -5.822 -6.498 1.00 0.00 C ATOM 714 CG ASN A 401 -20.829 -4.329 -6.762 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.698 -3.533 -5.704 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.846 -3.893 -7.914 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.613 -4.768 -3.669 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.994 -7.267 -4.910 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.185 -6.352 -7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.921 -6.168 -6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.948 -4.534 -8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.758 -2.891 -8.081 1.00 0.00 H new ATOM 723 N LYS A 402 -19.397 -5.783 -3.133 1.00 0.00 N ATOM 724 CA LYS A 402 -18.149 -5.438 -2.452 1.00 0.00 C ATOM 725 C LYS A 402 -17.768 -3.984 -2.716 1.00 0.00 C ATOM 726 O LYS A 402 -17.781 -3.530 -3.861 1.00 0.00 O ATOM 727 CB LYS A 402 -17.018 -6.364 -2.911 1.00 0.00 C ATOM 728 CG LYS A 402 -17.349 -7.844 -2.789 1.00 0.00 C ATOM 729 CD LYS A 402 -17.603 -8.250 -1.346 1.00 0.00 C ATOM 730 CE LYS A 402 -17.943 -9.727 -1.238 1.00 0.00 C ATOM 731 NZ LYS A 402 -16.850 -10.589 -1.769 1.00 0.00 N ATOM 0 H LYS A 402 -20.169 -5.999 -2.503 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.303 -5.567 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.776 -6.140 -3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.125 -6.151 -2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.230 -8.070 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.527 -8.435 -3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.720 -8.033 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.421 -7.656 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.131 -9.981 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.863 -9.929 -1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.006 -11.572 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -16.844 -10.542 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -15.936 -10.256 -1.402 1.00 0.00 H new ATOM 745 N LYS A 403 -17.432 -3.249 -1.657 1.00 0.00 N ATOM 746 CA LYS A 403 -17.057 -1.845 -1.808 1.00 0.00 C ATOM 747 C LYS A 403 -15.664 -1.567 -1.248 1.00 0.00 C ATOM 748 O LYS A 403 -15.290 -2.071 -0.191 1.00 0.00 O ATOM 749 CB LYS A 403 -18.085 -0.939 -1.131 1.00 0.00 C ATOM 750 CG LYS A 403 -19.458 -0.973 -1.786 1.00 0.00 C ATOM 751 CD LYS A 403 -19.421 -0.426 -3.207 1.00 0.00 C ATOM 752 CE LYS A 403 -19.032 1.043 -3.232 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.996 1.586 -4.618 1.00 0.00 N ATOM 0 H LYS A 403 -17.412 -3.596 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 403 -17.037 -1.627 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.184 -1.234 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.714 0.086 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.828 -1.998 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.160 -0.389 -1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.710 -1.001 -3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.399 -0.552 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.742 1.616 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.053 1.167 -2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.727 2.590 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.300 1.056 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.936 1.492 -5.052 1.00 0.00 H new ATOM 767 N CYS A 404 -14.910 -0.747 -1.974 1.00 0.00 N ATOM 768 CA CYS A 404 -13.555 -0.368 -1.582 1.00 0.00 C ATOM 769 C CYS A 404 -13.265 1.050 -2.065 1.00 0.00 C ATOM 770 O CYS A 404 -12.487 1.256 -2.995 1.00 0.00 O ATOM 771 CB CYS A 404 -12.530 -1.343 -2.172 1.00 0.00 C ATOM 772 SG CYS A 404 -10.807 -0.979 -1.708 1.00 0.00 S ATOM 0 H CYS A 404 -15.220 -0.326 -2.850 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.478 -0.406 -0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.777 -2.354 -1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.614 -1.328 -3.259 1.00 0.00 H new ATOM 777 N THR A 405 -13.927 2.023 -1.443 1.00 0.00 N ATOM 778 CA THR A 405 -13.770 3.426 -1.826 1.00 0.00 C ATOM 779 C THR A 405 -12.633 4.114 -1.078 1.00 0.00 C ATOM 780 O THR A 405 -12.506 3.985 0.139 1.00 0.00 O ATOM 781 CB THR A 405 -15.070 4.215 -1.587 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.450 4.129 -0.208 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.194 3.682 -2.464 1.00 0.00 C ATOM 0 H THR A 405 -14.577 1.867 -0.672 1.00 0.00 H new ATOM 0 HA THR A 405 -13.528 3.421 -2.889 1.00 0.00 H new ATOM 0 HB THR A 405 -14.890 5.258 -1.848 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.650 4.006 0.345 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.103 4.254 -2.278 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.913 3.777 -3.513 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.372 2.632 -2.230 1.00 0.00 H new ATOM 791 N LEU A 406 -11.819 4.864 -1.819 1.00 0.00 N ATOM 792 CA LEU A 406 -10.697 5.593 -1.243 1.00 0.00 C ATOM 793 C LEU A 406 -11.186 6.613 -0.226 1.00 0.00 C ATOM 794 O LEU A 406 -12.221 7.252 -0.415 1.00 0.00 O ATOM 795 CB LEU A 406 -9.895 6.283 -2.351 1.00 0.00 C ATOM 796 CG LEU A 406 -8.582 6.951 -1.919 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.831 8.321 -1.311 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.819 6.067 -0.944 1.00 0.00 C ATOM 0 H LEU A 406 -11.919 4.981 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.048 4.884 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.667 5.545 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.529 7.040 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.973 7.086 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.881 8.766 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.319 8.962 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.472 8.219 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.893 6.562 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.430 5.890 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.587 5.115 -1.421 1.00 0.00 H new ATOM 810 N ASP A 407 -10.431 6.753 0.851 1.00 0.00 N ATOM 811 CA ASP A 407 -10.777 7.690 1.914 1.00 0.00 C ATOM 812 C ASP A 407 -9.830 8.886 1.913 1.00 0.00 C ATOM 813 O ASP A 407 -8.613 8.724 1.864 1.00 0.00 O ATOM 814 CB ASP A 407 -10.726 6.986 3.271 1.00 0.00 C ATOM 815 CG ASP A 407 -11.188 7.874 4.412 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.598 9.024 4.147 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.145 7.416 5.574 1.00 0.00 O ATOM 0 H ASP A 407 -9.571 6.229 1.015 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.789 8.052 1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.350 6.093 3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.706 6.654 3.465 1.00 0.00 H new ATOM 822 N LYS A 408 -10.400 10.086 1.968 1.00 0.00 N ATOM 823 CA LYS A 408 -9.607 11.309 1.977 1.00 0.00 C ATOM 824 C LYS A 408 -8.807 11.428 3.272 1.00 0.00 C ATOM 825 O LYS A 408 -7.634 11.795 3.255 1.00 0.00 O ATOM 826 CB LYS A 408 -10.513 12.530 1.810 1.00 0.00 C ATOM 827 CG LYS A 408 -11.324 12.511 0.524 1.00 0.00 C ATOM 828 CD LYS A 408 -12.220 13.733 0.413 1.00 0.00 C ATOM 829 CE LYS A 408 -13.026 13.717 -0.875 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.151 13.704 -2.080 1.00 0.00 N ATOM 0 H LYS A 408 -11.408 10.237 2.007 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.909 11.267 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.194 12.586 2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.902 13.432 1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.650 12.474 -0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.933 11.608 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.897 13.768 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.611 14.636 0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.673 12.840 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.675 14.592 -0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.720 13.914 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.407 14.423 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -11.714 12.766 -2.182 1.00 0.00 H new ATOM 844 N GLU A 409 -9.456 11.118 4.391 1.00 0.00 N ATOM 845 CA GLU A 409 -8.810 11.190 5.699 1.00 0.00 C ATOM 846 C GLU A 409 -7.686 10.165 5.818 1.00 0.00 C ATOM 847 O GLU A 409 -6.622 10.454 6.366 1.00 0.00 O ATOM 848 CB GLU A 409 -9.837 10.964 6.810 1.00 0.00 C ATOM 849 CG GLU A 409 -10.960 11.988 6.820 1.00 0.00 C ATOM 850 CD GLU A 409 -11.966 11.741 7.928 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.790 10.763 8.685 1.00 0.00 O ATOM 852 OE2 GLU A 409 -12.931 12.527 8.038 1.00 0.00 O ATOM 0 H GLU A 409 -10.429 10.814 4.419 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.378 12.185 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.266 9.968 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.328 10.986 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.536 12.985 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.473 11.969 5.858 1.00 0.00 H new ATOM 859 N GLU A 410 -7.933 8.964 5.313 1.00 0.00 N ATOM 860 CA GLU A 410 -6.945 7.893 5.370 1.00 0.00 C ATOM 861 C GLU A 410 -5.767 8.183 4.444 1.00 0.00 C ATOM 862 O GLU A 410 -4.609 8.046 4.835 1.00 0.00 O ATOM 863 CB GLU A 410 -7.590 6.556 4.995 1.00 0.00 C ATOM 864 CG GLU A 410 -6.650 5.365 5.110 1.00 0.00 C ATOM 865 CD GLU A 410 -6.192 5.112 6.535 1.00 0.00 C ATOM 866 OE1 GLU A 410 -5.521 5.994 7.112 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.506 4.030 7.075 1.00 0.00 O ATOM 0 H GLU A 410 -8.809 8.706 4.859 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.570 7.834 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.454 6.388 5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.960 6.617 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.151 4.474 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.778 5.534 4.478 1.00 0.00 H new ATOM 874 N ALA A 411 -6.074 8.581 3.212 1.00 0.00 N ATOM 875 CA ALA A 411 -5.045 8.886 2.223 1.00 0.00 C ATOM 876 C ALA A 411 -4.169 10.053 2.665 1.00 0.00 C ATOM 877 O ALA A 411 -2.948 10.011 2.520 1.00 0.00 O ATOM 878 CB ALA A 411 -5.683 9.188 0.875 1.00 0.00 C ATOM 0 H ALA A 411 -7.029 8.700 2.875 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.406 8.008 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.904 9.414 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.253 8.321 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.349 10.045 0.972 1.00 0.00 H new ATOM 884 N LYS A 412 -4.798 11.097 3.195 1.00 0.00 N ATOM 885 CA LYS A 412 -4.067 12.274 3.647 1.00 0.00 C ATOM 886 C LYS A 412 -3.122 11.916 4.791 1.00 0.00 C ATOM 887 O LYS A 412 -2.008 12.434 4.874 1.00 0.00 O ATOM 888 CB LYS A 412 -5.038 13.375 4.085 1.00 0.00 C ATOM 889 CG LYS A 412 -5.766 13.074 5.385 1.00 0.00 C ATOM 890 CD LYS A 412 -6.786 14.151 5.712 1.00 0.00 C ATOM 891 CE LYS A 412 -7.371 13.964 7.102 1.00 0.00 C ATOM 892 NZ LYS A 412 -8.365 15.021 7.434 1.00 0.00 N ATOM 0 H LYS A 412 -5.809 11.152 3.322 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.473 12.646 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.487 14.309 4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.774 13.532 3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.266 12.109 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.044 12.996 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.315 15.132 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.587 14.130 4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.847 12.985 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -6.568 13.977 7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -8.740 14.857 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.906 15.953 7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -9.145 14.992 6.747 1.00 0.00 H new ATOM 906 N LYS A 413 -3.574 11.024 5.668 1.00 0.00 N ATOM 907 CA LYS A 413 -2.783 10.590 6.799 1.00 0.00 C ATOM 908 C LYS A 413 -1.570 9.789 6.334 1.00 0.00 C ATOM 909 O LYS A 413 -0.448 10.021 6.787 1.00 0.00 O ATOM 910 CB LYS A 413 -3.658 9.750 7.726 1.00 0.00 C ATOM 911 CG LYS A 413 -2.912 9.199 8.915 1.00 0.00 C ATOM 912 CD LYS A 413 -2.482 10.303 9.869 1.00 0.00 C ATOM 913 CE LYS A 413 -1.786 9.740 11.097 1.00 0.00 C ATOM 914 NZ LYS A 413 -0.552 8.988 10.739 1.00 0.00 N ATOM 0 H LYS A 413 -4.494 10.588 5.609 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.417 11.463 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.490 10.359 8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.086 8.923 7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -3.545 8.487 9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -2.034 8.652 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -1.812 10.990 9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -3.354 10.879 10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -1.531 10.554 11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -2.470 9.082 11.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 0.227 9.284 11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -0.720 7.968 10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -0.300 9.186 9.750 1.00 0.00 H new ATOM 928 N VAL A 414 -1.800 8.850 5.418 1.00 0.00 N ATOM 929 CA VAL A 414 -0.726 8.020 4.882 1.00 0.00 C ATOM 930 C VAL A 414 0.280 8.869 4.113 1.00 0.00 C ATOM 931 O VAL A 414 1.488 8.649 4.194 1.00 0.00 O ATOM 932 CB VAL A 414 -1.272 6.919 3.951 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.139 6.060 3.411 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.295 6.062 4.681 1.00 0.00 C ATOM 0 H VAL A 414 -2.722 8.646 5.032 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.233 7.548 5.732 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.766 7.399 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.547 5.290 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.555 6.685 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 414 0.388 5.589 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.669 5.290 4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.826 5.593 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.124 6.688 5.012 1.00 0.00 H new ATOM 944 N ALA A 415 -0.229 9.844 3.370 1.00 0.00 N ATOM 945 CA ALA A 415 0.618 10.735 2.590 1.00 0.00 C ATOM 946 C ALA A 415 1.432 11.643 3.502 1.00 0.00 C ATOM 947 O ALA A 415 2.556 12.026 3.176 1.00 0.00 O ATOM 948 CB ALA A 415 -0.227 11.564 1.633 1.00 0.00 C ATOM 0 H ALA A 415 -1.227 10.037 3.292 1.00 0.00 H new ATOM 0 HA ALA A 415 1.311 10.127 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.420 12.226 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.765 10.901 0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.941 12.160 2.201 1.00 0.00 H new ATOM 954 N ASP A 416 0.850 11.988 4.649 1.00 0.00 N ATOM 955 CA ASP A 416 1.511 12.857 5.617 1.00 0.00 C ATOM 956 C ASP A 416 2.540 12.077 6.436 1.00 0.00 C ATOM 957 O ASP A 416 2.716 12.317 7.629 1.00 0.00 O ATOM 958 CB ASP A 416 0.471 13.489 6.545 1.00 0.00 C ATOM 959 CG ASP A 416 0.981 14.738 7.241 1.00 0.00 C ATOM 960 OD1 ASP A 416 1.978 14.645 7.986 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.379 15.815 7.040 1.00 0.00 O ATOM 0 H ASP A 416 -0.080 11.678 4.930 1.00 0.00 H new ATOM 0 HA ASP A 416 2.033 13.644 5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.419 13.739 5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.170 12.758 7.296 1.00 0.00 H new ATOM 966 N GLU A 417 3.216 11.140 5.782 1.00 0.00 N ATOM 967 CA GLU A 417 4.228 10.321 6.439 1.00 0.00 C ATOM 968 C GLU A 417 4.999 9.489 5.417 1.00 0.00 C ATOM 969 O GLU A 417 5.308 8.320 5.656 1.00 0.00 O ATOM 970 CB GLU A 417 3.574 9.411 7.477 1.00 0.00 C ATOM 971 CG GLU A 417 2.600 8.404 6.889 1.00 0.00 C ATOM 972 CD GLU A 417 1.983 7.506 7.942 1.00 0.00 C ATOM 973 OE1 GLU A 417 1.326 8.035 8.863 1.00 0.00 O ATOM 974 OE2 GLU A 417 2.156 6.272 7.847 1.00 0.00 O ATOM 0 H GLU A 417 3.081 10.928 4.793 1.00 0.00 H new ATOM 0 HA GLU A 417 4.933 10.983 6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 417 4.354 8.874 8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 417 3.048 10.028 8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.808 8.936 6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 417 3.118 7.790 6.152 1.00 0.00 H new ATOM 981 N THR A 418 5.313 10.107 4.282 1.00 0.00 N ATOM 982 CA THR A 418 6.053 9.438 3.218 1.00 0.00 C ATOM 983 C THR A 418 6.403 10.416 2.100 1.00 0.00 C ATOM 984 O THR A 418 6.301 10.092 0.915 1.00 0.00 O ATOM 985 CB THR A 418 5.255 8.256 2.636 1.00 0.00 C ATOM 986 OG1 THR A 418 5.996 7.630 1.581 1.00 0.00 O ATOM 987 CG2 THR A 418 3.913 8.732 2.113 1.00 0.00 C ATOM 0 H THR A 418 5.065 11.075 4.076 1.00 0.00 H new ATOM 0 HA THR A 418 6.973 9.054 3.658 1.00 0.00 H new ATOM 0 HB THR A 418 5.085 7.529 3.430 1.00 0.00 H new ATOM 0 HG1 THR A 418 6.206 8.293 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.361 7.886 1.705 1.00 0.00 H new ATOM 0 HG22 THR A 418 3.343 9.179 2.927 1.00 0.00 H new ATOM 0 HG23 THR A 418 4.070 9.474 1.330 1.00 0.00 H new ATOM 995 N ALA A 419 6.821 11.618 2.489 1.00 0.00 N ATOM 996 CA ALA A 419 7.191 12.654 1.529 1.00 0.00 C ATOM 997 C ALA A 419 7.792 13.864 2.235 1.00 0.00 C ATOM 998 O ALA A 419 8.803 14.413 1.794 1.00 0.00 O ATOM 999 CB ALA A 419 5.979 13.072 0.707 1.00 0.00 C ATOM 0 H ALA A 419 6.912 11.899 3.465 1.00 0.00 H new ATOM 0 HA ALA A 419 7.946 12.241 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 419 6.271 13.845 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 419 5.591 12.209 0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 419 5.207 13.462 1.370 1.00 0.00 H new ATOM 1005 N LYS A 420 7.164 14.275 3.334 1.00 0.00 N ATOM 1006 CA LYS A 420 7.631 15.416 4.103 1.00 0.00 C ATOM 1007 C LYS A 420 9.041 15.177 4.633 1.00 0.00 C ATOM 1008 O LYS A 420 9.915 16.037 4.516 1.00 0.00 O ATOM 1009 CB LYS A 420 6.674 15.687 5.263 1.00 0.00 C ATOM 1010 CG LYS A 420 7.091 16.857 6.130 1.00 0.00 C ATOM 1011 CD LYS A 420 6.099 17.100 7.258 1.00 0.00 C ATOM 1012 CE LYS A 420 6.522 18.270 8.131 1.00 0.00 C ATOM 1013 NZ LYS A 420 5.547 18.527 9.226 1.00 0.00 N ATOM 0 H LYS A 420 6.327 13.830 3.710 1.00 0.00 H new ATOM 0 HA LYS A 420 7.657 16.286 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 420 5.677 15.877 4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 420 6.604 14.793 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 420 8.079 16.666 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 420 7.172 17.754 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 420 5.112 17.296 6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 420 6.014 16.201 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 420 7.504 18.067 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 420 6.621 19.164 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 5.872 19.332 9.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 4.616 18.746 8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 5.471 17.683 9.828 1.00 0.00 H new ATOM 1027 N ASP A 421 9.252 14.002 5.213 1.00 0.00 N ATOM 1028 CA ASP A 421 10.553 13.639 5.763 1.00 0.00 C ATOM 1029 C ASP A 421 11.594 13.500 4.658 1.00 0.00 C ATOM 1030 O ASP A 421 11.348 12.854 3.639 1.00 0.00 O ATOM 1031 CB ASP A 421 10.451 12.330 6.549 1.00 0.00 C ATOM 1032 CG ASP A 421 11.780 11.905 7.139 1.00 0.00 C ATOM 1033 OD1 ASP A 421 12.345 12.673 7.946 1.00 0.00 O ATOM 1034 OD2 ASP A 421 12.258 10.803 6.795 1.00 0.00 O ATOM 0 H ASP A 421 8.537 13.282 5.315 1.00 0.00 H new ATOM 0 HA ASP A 421 10.868 14.437 6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 421 9.722 12.447 7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 421 10.080 11.543 5.892 1.00 0.00 H new ATOM 1039 N GLY A 422 12.758 14.108 4.868 1.00 0.00 N ATOM 1040 CA GLY A 422 13.822 14.037 3.885 1.00 0.00 C ATOM 1041 C GLY A 422 15.020 14.885 4.263 1.00 0.00 C ATOM 1042 O GLY A 422 15.366 14.993 5.439 1.00 0.00 O ATOM 0 H GLY A 422 12.983 14.649 5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 422 14.137 13.000 3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 422 13.441 14.364 2.918 1.00 0.00 H new ATOM 1046 N LYS A 423 15.652 15.491 3.262 1.00 0.00 N ATOM 1047 CA LYS A 423 16.819 16.337 3.492 1.00 0.00 C ATOM 1048 C LYS A 423 16.407 17.680 4.086 1.00 0.00 C ATOM 1049 O LYS A 423 16.946 18.112 5.105 1.00 0.00 O ATOM 1050 CB LYS A 423 17.576 16.561 2.182 1.00 0.00 C ATOM 1051 CG LYS A 423 18.018 15.274 1.503 1.00 0.00 C ATOM 1052 CD LYS A 423 18.739 15.550 0.192 1.00 0.00 C ATOM 1053 CE LYS A 423 17.837 16.264 -0.807 1.00 0.00 C ATOM 1054 NZ LYS A 423 18.544 16.552 -2.085 1.00 0.00 N ATOM 0 H LYS A 423 15.376 15.412 2.283 1.00 0.00 H new ATOM 0 HA LYS A 423 17.472 15.829 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 423 16.941 17.123 1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 423 18.453 17.176 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 423 18.676 14.718 2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 423 17.148 14.644 1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 423 19.623 16.158 0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 423 19.086 14.610 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 423 16.960 15.649 -1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 423 17.480 17.197 -0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 17.897 17.038 -2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 19.367 17.159 -1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 18.863 15.660 -2.514 1.00 0.00 H new ATOM 1068 N THR A 424 15.450 18.336 3.436 1.00 0.00 N ATOM 1069 CA THR A 424 14.961 19.632 3.890 1.00 0.00 C ATOM 1070 C THR A 424 14.108 19.490 5.152 1.00 0.00 C ATOM 1071 O THR A 424 14.448 18.724 6.054 1.00 0.00 O ATOM 1072 CB THR A 424 14.139 20.331 2.788 1.00 0.00 C ATOM 1073 OG1 THR A 424 13.001 19.532 2.444 1.00 0.00 O ATOM 1074 CG2 THR A 424 14.989 20.570 1.549 1.00 0.00 C ATOM 0 H THR A 424 14.997 17.989 2.590 1.00 0.00 H new ATOM 0 HA THR A 424 15.833 20.243 4.122 1.00 0.00 H new ATOM 0 HB THR A 424 13.804 21.295 3.172 1.00 0.00 H new ATOM 0 HG1 THR A 424 12.483 19.984 1.745 1.00 0.00 H new ATOM 0 HG21 THR A 424 14.388 21.064 0.785 1.00 0.00 H new ATOM 0 HG22 THR A 424 15.839 21.202 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 424 15.350 19.616 1.166 1.00 0.00 H new ATOM 1082 N GLY A 425 13.000 20.229 5.213 1.00 0.00 N ATOM 1083 CA GLY A 425 12.124 20.164 6.368 1.00 0.00 C ATOM 1084 C GLY A 425 10.908 21.057 6.223 1.00 0.00 C ATOM 1085 O GLY A 425 10.508 21.731 7.172 1.00 0.00 O ATOM 0 H GLY A 425 12.696 20.871 4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 425 11.799 19.134 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 425 12.680 20.455 7.259 1.00 0.00 H new ATOM 1089 N ASN A 426 10.317 21.060 5.030 1.00 0.00 N ATOM 1090 CA ASN A 426 9.138 21.875 4.759 1.00 0.00 C ATOM 1091 C ASN A 426 8.550 21.534 3.391 1.00 0.00 C ATOM 1092 O ASN A 426 9.284 21.324 2.425 1.00 0.00 O ATOM 1093 CB ASN A 426 9.493 23.362 4.821 1.00 0.00 C ATOM 1094 CG ASN A 426 8.272 24.254 4.724 1.00 0.00 C ATOM 1095 OD1 ASN A 426 7.527 24.200 3.747 1.00 0.00 O ATOM 1096 ND2 ASN A 426 8.063 25.085 5.738 1.00 0.00 N ATOM 0 H ASN A 426 10.637 20.506 4.236 1.00 0.00 H new ATOM 0 HA ASN A 426 8.391 21.658 5.522 1.00 0.00 H new ATOM 0 HB2 ASN A 426 10.017 23.569 5.754 1.00 0.00 H new ATOM 0 HB3 ASN A 426 10.180 23.602 4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 426 7.258 25.712 5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 426 8.707 25.097 6.529 1.00 0.00 H new ATOM 1103 N THR A 427 7.222 21.475 3.318 1.00 0.00 N ATOM 1104 CA THR A 427 6.537 21.154 2.069 1.00 0.00 C ATOM 1105 C THR A 427 6.813 22.199 0.992 1.00 0.00 C ATOM 1106 O THR A 427 7.250 21.863 -0.109 1.00 0.00 O ATOM 1107 CB THR A 427 5.015 21.042 2.276 1.00 0.00 C ATOM 1108 OG1 THR A 427 4.494 22.282 2.770 1.00 0.00 O ATOM 1109 CG2 THR A 427 4.680 19.923 3.252 1.00 0.00 C ATOM 0 H THR A 427 6.600 21.645 4.108 1.00 0.00 H new ATOM 0 HA THR A 427 6.928 20.191 1.740 1.00 0.00 H new ATOM 0 HB THR A 427 4.558 20.813 1.314 1.00 0.00 H new ATOM 0 HG1 THR A 427 3.526 22.202 2.897 1.00 0.00 H new ATOM 0 HG21 THR A 427 3.599 19.864 3.381 1.00 0.00 H new ATOM 0 HG22 THR A 427 5.051 18.976 2.860 1.00 0.00 H new ATOM 0 HG23 THR A 427 5.150 20.127 4.214 1.00 0.00 H new ATOM 1117 N ASN A 428 6.561 23.465 1.318 1.00 0.00 N ATOM 1118 CA ASN A 428 6.785 24.561 0.382 1.00 0.00 C ATOM 1119 C ASN A 428 6.459 25.907 1.028 1.00 0.00 C ATOM 1120 O ASN A 428 6.659 26.093 2.227 1.00 0.00 O ATOM 1121 CB ASN A 428 5.944 24.361 -0.883 1.00 0.00 C ATOM 1122 CG ASN A 428 4.462 24.226 -0.582 1.00 0.00 C ATOM 1123 OD1 ASN A 428 3.843 25.135 -0.032 1.00 0.00 O ATOM 1124 ND2 ASN A 428 3.888 23.084 -0.941 1.00 0.00 N ATOM 0 H ASN A 428 6.200 23.756 2.227 1.00 0.00 H new ATOM 0 HA ASN A 428 7.840 24.562 0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 428 6.099 25.205 -1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 428 6.288 23.469 -1.406 1.00 0.00 H new ATOM 0 HD21 ASN A 428 2.895 22.934 -0.763 1.00 0.00 H new ATOM 0 HD22 ASN A 428 4.440 22.356 -1.395 1.00 0.00 H new ATOM 1131 N THR A 429 5.956 26.846 0.228 1.00 0.00 N ATOM 1132 CA THR A 429 5.606 28.168 0.733 1.00 0.00 C ATOM 1133 C THR A 429 4.461 28.086 1.736 1.00 0.00 C ATOM 1134 O THR A 429 3.439 27.451 1.473 1.00 0.00 O ATOM 1135 CB THR A 429 5.205 29.119 -0.409 1.00 0.00 C ATOM 1136 OG1 THR A 429 4.064 28.599 -1.102 1.00 0.00 O ATOM 1137 CG2 THR A 429 6.356 29.305 -1.386 1.00 0.00 C ATOM 0 H THR A 429 5.783 26.714 -0.769 1.00 0.00 H new ATOM 0 HA THR A 429 6.493 28.562 1.228 1.00 0.00 H new ATOM 0 HB THR A 429 4.956 30.088 0.024 1.00 0.00 H new ATOM 0 HG1 THR A 429 3.588 27.969 -0.522 1.00 0.00 H new ATOM 0 HG21 THR A 429 6.050 29.981 -2.185 1.00 0.00 H new ATOM 0 HG22 THR A 429 7.213 29.727 -0.862 1.00 0.00 H new ATOM 0 HG23 THR A 429 6.631 28.340 -1.813 1.00 0.00 H new ATOM 1145 N THR A 430 4.639 28.735 2.884 1.00 0.00 N ATOM 1146 CA THR A 430 3.622 28.737 3.929 1.00 0.00 C ATOM 1147 C THR A 430 3.280 27.308 4.352 1.00 0.00 C ATOM 1148 O THR A 430 2.114 26.912 4.373 1.00 0.00 O ATOM 1149 CB THR A 430 2.341 29.462 3.466 1.00 0.00 C ATOM 1150 OG1 THR A 430 2.680 30.737 2.904 1.00 0.00 O ATOM 1151 CG2 THR A 430 1.378 29.667 4.626 1.00 0.00 C ATOM 0 H THR A 430 5.479 29.266 3.113 1.00 0.00 H new ATOM 0 HA THR A 430 4.033 29.275 4.783 1.00 0.00 H new ATOM 0 HB THR A 430 1.855 28.841 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 430 1.864 31.192 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 430 0.484 30.180 4.271 1.00 0.00 H new ATOM 0 HG22 THR A 430 1.099 28.699 5.043 1.00 0.00 H new ATOM 0 HG23 THR A 430 1.860 30.269 5.397 1.00 0.00 H new ATOM 1159 N GLY A 431 4.312 26.534 4.679 1.00 0.00 N ATOM 1160 CA GLY A 431 4.110 25.156 5.090 1.00 0.00 C ATOM 1161 C GLY A 431 3.421 25.040 6.437 1.00 0.00 C ATOM 1162 O GLY A 431 2.463 25.761 6.716 1.00 0.00 O ATOM 0 H GLY A 431 5.286 26.838 4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 431 3.514 24.640 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 431 5.074 24.650 5.135 1.00 0.00 H new ATOM 1166 N SER A 432 3.909 24.126 7.270 1.00 0.00 N ATOM 1167 CA SER A 432 3.339 23.911 8.596 1.00 0.00 C ATOM 1168 C SER A 432 3.801 24.989 9.575 1.00 0.00 C ATOM 1169 O SER A 432 4.503 24.701 10.545 1.00 0.00 O ATOM 1170 CB SER A 432 3.723 22.526 9.119 1.00 0.00 C ATOM 1171 OG SER A 432 5.130 22.378 9.192 1.00 0.00 O ATOM 0 H SER A 432 4.700 23.521 7.050 1.00 0.00 H new ATOM 0 HA SER A 432 2.254 23.971 8.511 1.00 0.00 H new ATOM 0 HB2 SER A 432 3.287 22.373 10.106 1.00 0.00 H new ATOM 0 HB3 SER A 432 3.307 21.759 8.465 1.00 0.00 H new ATOM 0 HG SER A 432 5.499 23.053 9.799 1.00 0.00 H new ATOM 1177 N SER A 433 3.402 26.230 9.314 1.00 0.00 N ATOM 1178 CA SER A 433 3.773 27.351 10.172 1.00 0.00 C ATOM 1179 C SER A 433 3.207 27.173 11.577 1.00 0.00 C ATOM 1180 O SER A 433 3.990 26.851 12.495 1.00 0.00 O ATOM 1181 CB SER A 433 3.275 28.667 9.571 1.00 0.00 C ATOM 1182 OG SER A 433 3.837 28.887 8.288 1.00 0.00 O ATOM 1183 OXT SER A 433 1.983 27.357 11.748 1.00 0.00 O ATOM 0 H SER A 433 2.822 26.485 8.515 1.00 0.00 H new ATOM 0 HA SER A 433 4.861 27.379 10.240 1.00 0.00 H new ATOM 0 HB2 SER A 433 2.188 28.648 9.497 1.00 0.00 H new ATOM 0 HB3 SER A 433 3.535 29.494 10.232 1.00 0.00 H new ATOM 0 HG SER A 433 3.502 29.733 7.925 1.00 0.00 H new TER 1189 SER A 433