USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HD1:sc= 0.303 K(o=0.75,f=-3.3) USER MOD Set 1.2: A 405 THR OG1 : rot 35:sc= 0.448 USER MOD Set 2.1: A 364 LYS NZ :NH3+ -137:sc= 0.0364 (180deg=-0.175) USER MOD Set 2.2: A 365 HIS : no HD1:sc= -0.331 K(o=-0.29,f=-2) USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot 10:sc= 0.728 USER MOD Single : A 363 GLN :FLIP amide:sc= -0.544 F(o=-1.2,f=-0.54) USER MOD Single : A 366 LYS NZ :NH3+ -140:sc= -2.91! (180deg=-5.59!) 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 :FLIP amide:sc= -3.07! C(o=-4.5!,f=-3.1!) USER MOD Single : A 373 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.013) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.95 F(o=-3.6!,f=-0.95) USER MOD Single : A 383 LYS NZ :NH3+ -168:sc= -0.0141 (180deg=-0.206) USER MOD Single : A 384 LYS NZ :NH3+ -121:sc= -0.206 (180deg=-2.74!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0.0264 K(o=0.026,f=-4!) USER MOD Single : A 390 LYS NZ :NH3+ -132:sc= -0.997 (180deg=-2.73!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -132:sc= 0.712 (180deg=0.373) USER MOD Single : A 397 ASN : amide:sc= 0.891 K(o=0.89,f=-3.5!) USER MOD Single : A 401 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : A 402 LYS NZ :NH3+ 164:sc= -0.0517 (180deg=-0.272) USER MOD Single : A 403 LYS NZ :NH3+ 132:sc= -0.0225 (180deg=-0.2) USER MOD Single : A 408 LYS NZ :NH3+ 169:sc= -0.0136 (180deg=-0.163) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ -167:sc= -0.0356 (180deg=-0.239) USER MOD Single : A 418 THR OG1 : rot -71:sc= 1.2 USER MOD Single : A 420 LYS NZ :NH3+ 142:sc= -3.17! (180deg=-5.81!) USER MOD Single : A 423 LYS NZ :NH3+ 169:sc= -0.0205 (180deg=-0.196) USER MOD Single : A 424 THR OG1 : rot 180:sc= -0.007 USER MOD Single : A 426 ASN : amide:sc= -0.353 K(o=-0.35,f=-1.7) USER MOD Single : A 427 THR OG1 : rot -169:sc= -0.11 USER MOD Single : A 428 ASN :FLIP amide:sc= -1.85! C(o=-4.3!,f=-1.8!) USER MOD Single : A 429 THR OG1 : rot 41:sc= 0.992 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot 23:sc= 0.903 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 28.625 -0.133 -16.839 1.00 0.00 N ATOM 2 CA GLY A 354 28.922 0.602 -15.579 1.00 0.00 C ATOM 3 C GLY A 354 29.046 2.098 -15.793 1.00 0.00 C ATOM 4 O GLY A 354 28.498 2.888 -15.024 1.00 0.00 O ATOM 0 HA2 GLY A 354 28.132 0.407 -14.854 1.00 0.00 H new ATOM 0 HA3 GLY A 354 29.849 0.222 -15.151 1.00 0.00 H new ATOM 10 N SER A 355 29.770 2.486 -16.838 1.00 0.00 N ATOM 11 CA SER A 355 29.967 3.897 -17.151 1.00 0.00 C ATOM 12 C SER A 355 28.633 4.590 -17.410 1.00 0.00 C ATOM 13 O SER A 355 28.376 5.676 -16.889 1.00 0.00 O ATOM 14 CB SER A 355 30.880 4.048 -18.370 1.00 0.00 C ATOM 15 OG SER A 355 32.153 3.475 -18.127 1.00 0.00 O ATOM 0 H SER A 355 30.230 1.843 -17.482 1.00 0.00 H new ATOM 0 HA SER A 355 30.440 4.371 -16.291 1.00 0.00 H new ATOM 0 HB2 SER A 355 30.421 3.568 -19.234 1.00 0.00 H new ATOM 0 HB3 SER A 355 30.994 5.104 -18.615 1.00 0.00 H new ATOM 0 HG SER A 355 32.717 3.583 -18.921 1.00 0.00 H new ATOM 21 N HIS A 356 27.785 3.956 -18.215 1.00 0.00 N ATOM 22 CA HIS A 356 26.476 4.513 -18.537 1.00 0.00 C ATOM 23 C HIS A 356 25.635 4.691 -17.278 1.00 0.00 C ATOM 24 O HIS A 356 25.589 3.810 -16.420 1.00 0.00 O ATOM 25 CB HIS A 356 25.741 3.613 -19.531 1.00 0.00 C ATOM 26 CG HIS A 356 26.403 3.534 -20.871 1.00 0.00 C ATOM 27 ND1 HIS A 356 26.591 4.632 -21.685 1.00 0.00 N ATOM 28 CD2 HIS A 356 26.923 2.478 -21.543 1.00 0.00 C ATOM 29 CE1 HIS A 356 27.196 4.256 -22.797 1.00 0.00 C ATOM 30 NE2 HIS A 356 27.409 2.954 -22.735 1.00 0.00 N ATOM 0 H HIS A 356 27.981 3.057 -18.656 1.00 0.00 H new ATOM 0 HA HIS A 356 26.631 5.492 -18.992 1.00 0.00 H new ATOM 0 HB2 HIS A 356 25.666 2.609 -19.113 1.00 0.00 H new ATOM 0 HB3 HIS A 356 24.723 3.982 -19.659 1.00 0.00 H new ATOM 0 HD2 HIS A 356 26.950 1.453 -21.204 1.00 0.00 H new ATOM 0 HE1 HIS A 356 27.470 4.903 -23.617 1.00 0.00 H new ATOM 0 HE2 HIS A 356 27.862 2.393 -23.457 1.00 0.00 H new ATOM 39 N MET A 357 24.975 5.840 -17.175 1.00 0.00 N ATOM 40 CA MET A 357 24.137 6.141 -16.022 1.00 0.00 C ATOM 41 C MET A 357 22.999 5.132 -15.902 1.00 0.00 C ATOM 42 O MET A 357 22.381 4.759 -16.900 1.00 0.00 O ATOM 43 CB MET A 357 23.569 7.557 -16.138 1.00 0.00 C ATOM 44 CG MET A 357 24.636 8.626 -16.314 1.00 0.00 C ATOM 45 SD MET A 357 25.832 8.646 -14.965 1.00 0.00 S ATOM 46 CE MET A 357 26.927 9.957 -15.505 1.00 0.00 C ATOM 0 H MET A 357 25.005 6.579 -17.878 1.00 0.00 H new ATOM 0 HA MET A 357 24.753 6.076 -15.125 1.00 0.00 H new ATOM 0 HB2 MET A 357 22.883 7.597 -16.984 1.00 0.00 H new ATOM 0 HB3 MET A 357 22.986 7.780 -15.245 1.00 0.00 H new ATOM 0 HG2 MET A 357 25.159 8.459 -17.255 1.00 0.00 H new ATOM 0 HG3 MET A 357 24.157 9.603 -16.384 1.00 0.00 H new ATOM 0 HE1 MET A 357 27.723 10.091 -14.773 1.00 0.00 H new ATOM 0 HE2 MET A 357 27.362 9.694 -16.469 1.00 0.00 H new ATOM 0 HE3 MET A 357 26.363 10.885 -15.602 1.00 0.00 H new ATOM 56 N LEU A 358 22.729 4.692 -14.677 1.00 0.00 N ATOM 57 CA LEU A 358 21.668 3.723 -14.428 1.00 0.00 C ATOM 58 C LEU A 358 20.335 4.225 -14.977 1.00 0.00 C ATOM 59 O LEU A 358 20.001 5.403 -14.845 1.00 0.00 O ATOM 60 CB LEU A 358 21.538 3.426 -12.928 1.00 0.00 C ATOM 61 CG LEU A 358 21.023 4.581 -12.059 1.00 0.00 C ATOM 62 CD1 LEU A 358 20.758 4.094 -10.643 1.00 0.00 C ATOM 63 CD2 LEU A 358 22.016 5.735 -12.040 1.00 0.00 C ATOM 0 H LEU A 358 23.231 4.991 -13.841 1.00 0.00 H new ATOM 0 HA LEU A 358 21.934 2.800 -14.944 1.00 0.00 H new ATOM 0 HB2 LEU A 358 20.868 2.575 -12.802 1.00 0.00 H new ATOM 0 HB3 LEU A 358 22.514 3.121 -12.552 1.00 0.00 H new ATOM 0 HG LEU A 358 20.090 4.942 -12.492 1.00 0.00 H new ATOM 0 HD11 LEU A 358 20.393 4.922 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 358 20.009 3.302 -10.665 1.00 0.00 H new ATOM 0 HD13 LEU A 358 21.682 3.708 -10.212 1.00 0.00 H new ATOM 0 HD21 LEU A 358 21.626 6.540 -11.417 1.00 0.00 H new ATOM 0 HD22 LEU A 358 22.967 5.390 -11.634 1.00 0.00 H new ATOM 0 HD23 LEU A 358 22.167 6.102 -13.055 1.00 0.00 H new ATOM 75 N GLU A 359 19.582 3.323 -15.597 1.00 0.00 N ATOM 76 CA GLU A 359 18.287 3.669 -16.172 1.00 0.00 C ATOM 77 C GLU A 359 17.249 2.612 -15.832 1.00 0.00 C ATOM 78 O GLU A 359 16.090 2.921 -15.556 1.00 0.00 O ATOM 79 CB GLU A 359 18.399 3.821 -17.691 1.00 0.00 C ATOM 80 CG GLU A 359 19.380 4.897 -18.128 1.00 0.00 C ATOM 81 CD GLU A 359 19.482 5.015 -19.638 1.00 0.00 C ATOM 82 OE1 GLU A 359 18.776 4.262 -20.343 1.00 0.00 O ATOM 83 OE2 GLU A 359 20.267 5.861 -20.116 1.00 0.00 O ATOM 0 H GLU A 359 19.847 2.345 -15.714 1.00 0.00 H new ATOM 0 HA GLU A 359 17.970 4.620 -15.745 1.00 0.00 H new ATOM 0 HB2 GLU A 359 18.705 2.867 -18.121 1.00 0.00 H new ATOM 0 HB3 GLU A 359 17.415 4.053 -18.097 1.00 0.00 H new ATOM 0 HG2 GLU A 359 19.071 5.856 -17.712 1.00 0.00 H new ATOM 0 HG3 GLU A 359 20.365 4.674 -17.717 1.00 0.00 H new ATOM 90 N VAL A 360 17.682 1.366 -15.853 1.00 0.00 N ATOM 91 CA VAL A 360 16.808 0.240 -15.546 1.00 0.00 C ATOM 92 C VAL A 360 16.352 0.278 -14.090 1.00 0.00 C ATOM 93 O VAL A 360 17.141 0.576 -13.192 1.00 0.00 O ATOM 94 CB VAL A 360 17.502 -1.107 -15.829 1.00 0.00 C ATOM 95 CG1 VAL A 360 17.819 -1.241 -17.310 1.00 0.00 C ATOM 96 CG2 VAL A 360 18.766 -1.245 -14.993 1.00 0.00 C ATOM 0 H VAL A 360 18.641 1.102 -16.081 1.00 0.00 H new ATOM 0 HA VAL A 360 15.937 0.329 -16.195 1.00 0.00 H new ATOM 0 HB VAL A 360 16.821 -1.911 -15.550 1.00 0.00 H new ATOM 0 HG11 VAL A 360 18.309 -2.198 -17.492 1.00 0.00 H new ATOM 0 HG12 VAL A 360 16.895 -1.191 -17.886 1.00 0.00 H new ATOM 0 HG13 VAL A 360 18.481 -0.431 -17.615 1.00 0.00 H new ATOM 0 HG21 VAL A 360 19.241 -2.202 -15.207 1.00 0.00 H new ATOM 0 HG22 VAL A 360 19.454 -0.436 -15.237 1.00 0.00 H new ATOM 0 HG23 VAL A 360 18.509 -1.196 -13.935 1.00 0.00 H new ATOM 106 N LEU A 361 15.073 -0.021 -13.869 1.00 0.00 N ATOM 107 CA LEU A 361 14.492 -0.023 -12.527 1.00 0.00 C ATOM 108 C LEU A 361 14.468 1.382 -11.933 1.00 0.00 C ATOM 109 O LEU A 361 15.420 2.149 -12.083 1.00 0.00 O ATOM 110 CB LEU A 361 15.270 -0.963 -11.600 1.00 0.00 C ATOM 111 CG LEU A 361 14.720 -1.076 -10.175 1.00 0.00 C ATOM 112 CD1 LEU A 361 13.340 -1.715 -10.181 1.00 0.00 C ATOM 113 CD2 LEU A 361 15.675 -1.872 -9.297 1.00 0.00 C ATOM 0 H LEU A 361 14.415 -0.267 -14.608 1.00 0.00 H new ATOM 0 HA LEU A 361 13.466 -0.379 -12.615 1.00 0.00 H new ATOM 0 HB2 LEU A 361 15.285 -1.957 -12.046 1.00 0.00 H new ATOM 0 HB3 LEU A 361 16.304 -0.622 -11.547 1.00 0.00 H new ATOM 0 HG LEU A 361 14.629 -0.071 -9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 361 12.967 -1.786 -9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 361 12.659 -1.105 -10.774 1.00 0.00 H new ATOM 0 HD13 LEU A 361 13.403 -2.713 -10.614 1.00 0.00 H new ATOM 0 HD21 LEU A 361 15.269 -1.942 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 361 15.799 -2.873 -9.709 1.00 0.00 H new ATOM 0 HD23 LEU A 361 16.642 -1.371 -9.264 1.00 0.00 H new ATOM 125 N THR A 362 13.369 1.706 -11.256 1.00 0.00 N ATOM 126 CA THR A 362 13.198 3.010 -10.621 1.00 0.00 C ATOM 127 C THR A 362 13.443 4.154 -11.603 1.00 0.00 C ATOM 128 O THR A 362 14.065 5.159 -11.256 1.00 0.00 O ATOM 129 CB THR A 362 14.133 3.176 -9.406 1.00 0.00 C ATOM 130 OG1 THR A 362 15.499 3.228 -9.834 1.00 0.00 O ATOM 131 CG2 THR A 362 13.951 2.026 -8.426 1.00 0.00 C ATOM 0 H THR A 362 12.576 1.076 -11.133 1.00 0.00 H new ATOM 0 HA THR A 362 12.163 3.052 -10.282 1.00 0.00 H new ATOM 0 HB THR A 362 13.876 4.110 -8.906 1.00 0.00 H new ATOM 0 HG1 THR A 362 15.533 3.305 -10.810 1.00 0.00 H new ATOM 0 HG21 THR A 362 14.620 2.163 -7.576 1.00 0.00 H new ATOM 0 HG22 THR A 362 12.919 2.006 -8.076 1.00 0.00 H new ATOM 0 HG23 THR A 362 14.184 1.084 -8.923 1.00 0.00 H new ATOM 139 N GLN A 363 12.942 3.997 -12.827 1.00 0.00 N ATOM 140 CA GLN A 363 13.098 5.020 -13.858 1.00 0.00 C ATOM 141 C GLN A 363 12.336 4.629 -15.123 1.00 0.00 C ATOM 142 O GLN A 363 12.890 4.622 -16.223 1.00 0.00 O ATOM 143 CB GLN A 363 14.580 5.245 -14.179 1.00 0.00 C ATOM 144 CG GLN A 363 14.835 6.450 -15.071 1.00 0.00 C ATOM 145 CD GLN A 363 16.303 6.639 -15.394 1.00 0.00 C ATOM 146 OE1 GLN A 363 16.633 6.631 -16.680 1.00 0.00 O flip ATOM 147 NE2 GLN A 363 17.133 6.795 -14.498 1.00 0.00 N flip ATOM 0 H GLN A 363 12.425 3.171 -13.128 1.00 0.00 H new ATOM 0 HA GLN A 363 12.682 5.952 -13.476 1.00 0.00 H new ATOM 0 HB2 GLN A 363 15.130 5.371 -13.246 1.00 0.00 H new ATOM 0 HB3 GLN A 363 14.977 4.354 -14.665 1.00 0.00 H new ATOM 0 HG2 GLN A 363 14.275 6.335 -15.999 1.00 0.00 H new ATOM 0 HG3 GLN A 363 14.457 7.347 -14.580 1.00 0.00 H new ATOM 0 HE21 GLN A 363 16.836 6.795 -13.522 1.00 0.00 H new ATOM 0 HE22 GLN A 363 18.117 6.925 -14.732 1.00 0.00 H new ATOM 156 N LYS A 364 11.059 4.305 -14.957 1.00 0.00 N ATOM 157 CA LYS A 364 10.214 3.918 -16.079 1.00 0.00 C ATOM 158 C LYS A 364 8.743 4.130 -15.736 1.00 0.00 C ATOM 159 O LYS A 364 8.265 3.672 -14.699 1.00 0.00 O ATOM 160 CB LYS A 364 10.467 2.456 -16.461 1.00 0.00 C ATOM 161 CG LYS A 364 10.150 1.464 -15.351 1.00 0.00 C ATOM 162 CD LYS A 364 10.408 0.028 -15.789 1.00 0.00 C ATOM 163 CE LYS A 364 9.553 -0.360 -16.986 1.00 0.00 C ATOM 164 NZ LYS A 364 8.098 -0.242 -16.695 1.00 0.00 N ATOM 0 H LYS A 364 10.586 4.303 -14.054 1.00 0.00 H new ATOM 0 HA LYS A 364 10.465 4.547 -16.933 1.00 0.00 H new ATOM 0 HB2 LYS A 364 9.866 2.210 -17.337 1.00 0.00 H new ATOM 0 HB3 LYS A 364 11.512 2.342 -16.749 1.00 0.00 H new ATOM 0 HG2 LYS A 364 10.757 1.692 -14.475 1.00 0.00 H new ATOM 0 HG3 LYS A 364 9.107 1.572 -15.053 1.00 0.00 H new ATOM 0 HD2 LYS A 364 11.462 -0.091 -16.041 1.00 0.00 H new ATOM 0 HD3 LYS A 364 10.200 -0.648 -14.960 1.00 0.00 H new ATOM 0 HE2 LYS A 364 9.806 0.277 -17.834 1.00 0.00 H new ATOM 0 HE3 LYS A 364 9.782 -1.385 -17.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 7.599 -1.069 -17.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 7.952 -0.198 -15.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 7.725 0.624 -17.135 1.00 0.00 H new ATOM 178 N HIS A 365 8.035 4.839 -16.610 1.00 0.00 N ATOM 179 CA HIS A 365 6.621 5.127 -16.398 1.00 0.00 C ATOM 180 C HIS A 365 6.409 5.813 -15.050 1.00 0.00 C ATOM 181 O HIS A 365 5.354 5.678 -14.430 1.00 0.00 O ATOM 182 CB HIS A 365 5.798 3.839 -16.471 1.00 0.00 C ATOM 183 CG HIS A 365 5.923 3.133 -17.785 1.00 0.00 C ATOM 184 ND1 HIS A 365 7.125 2.668 -18.278 1.00 0.00 N ATOM 185 CD2 HIS A 365 4.990 2.822 -18.716 1.00 0.00 C ATOM 186 CE1 HIS A 365 6.926 2.102 -19.455 1.00 0.00 C ATOM 187 NE2 HIS A 365 5.640 2.183 -19.743 1.00 0.00 N ATOM 0 H HIS A 365 8.418 5.225 -17.473 1.00 0.00 H new ATOM 0 HA HIS A 365 6.286 5.801 -17.186 1.00 0.00 H new ATOM 0 HB2 HIS A 365 6.115 3.167 -15.673 1.00 0.00 H new ATOM 0 HB3 HIS A 365 4.749 4.075 -16.291 1.00 0.00 H new ATOM 0 HD2 HIS A 365 3.933 3.036 -18.661 1.00 0.00 H new ATOM 0 HE1 HIS A 365 7.686 1.650 -20.076 1.00 0.00 H new ATOM 0 HE2 HIS A 365 5.200 1.828 -20.592 1.00 0.00 H new ATOM 196 N LYS A 366 7.425 6.553 -14.612 1.00 0.00 N ATOM 197 CA LYS A 366 7.371 7.272 -13.342 1.00 0.00 C ATOM 198 C LYS A 366 8.647 8.088 -13.136 1.00 0.00 C ATOM 199 O LYS A 366 9.752 7.554 -13.226 1.00 0.00 O ATOM 200 CB LYS A 366 7.191 6.293 -12.177 1.00 0.00 C ATOM 201 CG LYS A 366 8.327 5.288 -12.046 1.00 0.00 C ATOM 202 CD LYS A 366 8.153 4.375 -10.839 1.00 0.00 C ATOM 203 CE LYS A 366 7.010 3.385 -11.028 1.00 0.00 C ATOM 204 NZ LYS A 366 5.682 4.056 -11.077 1.00 0.00 N ATOM 0 H LYS A 366 8.301 6.671 -15.122 1.00 0.00 H new ATOM 0 HA LYS A 366 6.517 7.948 -13.371 1.00 0.00 H new ATOM 0 HB2 LYS A 366 7.107 6.857 -11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 366 6.253 5.754 -12.308 1.00 0.00 H new ATOM 0 HG2 LYS A 366 8.381 4.684 -12.951 1.00 0.00 H new ATOM 0 HG3 LYS A 366 9.274 5.822 -11.962 1.00 0.00 H new ATOM 0 HD2 LYS A 366 9.079 3.829 -10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 366 7.965 4.980 -9.952 1.00 0.00 H new ATOM 0 HE2 LYS A 366 7.166 2.826 -11.950 1.00 0.00 H new ATOM 0 HE3 LYS A 366 7.019 2.663 -10.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 4.986 3.487 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 5.753 4.999 -10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 5.377 4.151 -12.067 1.00 0.00 H new ATOM 218 N PRO A 367 8.519 9.398 -12.857 1.00 0.00 N ATOM 219 CA PRO A 367 9.669 10.267 -12.640 1.00 0.00 C ATOM 220 C PRO A 367 10.148 10.249 -11.192 1.00 0.00 C ATOM 221 O PRO A 367 10.547 11.280 -10.650 1.00 0.00 O ATOM 222 CB PRO A 367 9.119 11.641 -13.010 1.00 0.00 C ATOM 223 CG PRO A 367 7.673 11.586 -12.652 1.00 0.00 C ATOM 224 CD PRO A 367 7.249 10.137 -12.731 1.00 0.00 C ATOM 0 HA PRO A 367 10.539 9.962 -13.221 1.00 0.00 H new ATOM 0 HB2 PRO A 367 9.631 12.432 -12.462 1.00 0.00 H new ATOM 0 HB3 PRO A 367 9.255 11.848 -14.071 1.00 0.00 H new ATOM 0 HG2 PRO A 367 7.509 11.981 -11.649 1.00 0.00 H new ATOM 0 HG3 PRO A 367 7.084 12.197 -13.335 1.00 0.00 H new ATOM 0 HD2 PRO A 367 6.698 9.834 -11.841 1.00 0.00 H new ATOM 0 HD3 PRO A 367 6.597 9.958 -13.586 1.00 0.00 H new ATOM 232 N ALA A 368 10.101 9.070 -10.569 1.00 0.00 N ATOM 233 CA ALA A 368 10.527 8.919 -9.178 1.00 0.00 C ATOM 234 C ALA A 368 10.418 7.469 -8.714 1.00 0.00 C ATOM 235 O ALA A 368 9.472 6.764 -9.065 1.00 0.00 O ATOM 236 CB ALA A 368 9.699 9.816 -8.270 1.00 0.00 C ATOM 0 H ALA A 368 9.773 8.208 -11.005 1.00 0.00 H new ATOM 0 HA ALA A 368 11.574 9.216 -9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 368 10.028 9.692 -7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 368 9.828 10.856 -8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 368 8.647 9.543 -8.350 1.00 0.00 H new ATOM 242 N GLU A 369 11.389 7.035 -7.913 1.00 0.00 N ATOM 243 CA GLU A 369 11.406 5.679 -7.385 1.00 0.00 C ATOM 244 C GLU A 369 10.133 5.398 -6.598 1.00 0.00 C ATOM 245 O GLU A 369 9.605 6.277 -5.916 1.00 0.00 O ATOM 246 CB GLU A 369 12.633 5.473 -6.491 1.00 0.00 C ATOM 247 CG GLU A 369 12.719 4.081 -5.883 1.00 0.00 C ATOM 248 CD GLU A 369 13.955 3.895 -5.026 1.00 0.00 C ATOM 249 OE1 GLU A 369 14.110 4.642 -4.037 1.00 0.00 O ATOM 250 OE2 GLU A 369 14.769 3.002 -5.344 1.00 0.00 O ATOM 0 H GLU A 369 12.178 7.610 -7.616 1.00 0.00 H new ATOM 0 HA GLU A 369 11.459 4.983 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 369 13.533 5.661 -7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 369 12.615 6.210 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 369 11.831 3.897 -5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 369 12.720 3.339 -6.682 1.00 0.00 H new ATOM 257 N SER A 370 9.641 4.170 -6.702 1.00 0.00 N ATOM 258 CA SER A 370 8.422 3.777 -6.001 1.00 0.00 C ATOM 259 C SER A 370 8.305 2.261 -5.891 1.00 0.00 C ATOM 260 O SER A 370 8.634 1.528 -6.825 1.00 0.00 O ATOM 261 CB SER A 370 7.193 4.338 -6.720 1.00 0.00 C ATOM 262 OG SER A 370 6.000 3.973 -6.048 1.00 0.00 O ATOM 0 H SER A 370 10.064 3.430 -7.262 1.00 0.00 H new ATOM 0 HA SER A 370 8.474 4.189 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 370 7.265 5.424 -6.777 1.00 0.00 H new ATOM 0 HB3 SER A 370 7.166 3.967 -7.744 1.00 0.00 H new ATOM 0 HG SER A 370 5.229 4.344 -6.525 1.00 0.00 H new ATOM 268 N GLN A 371 7.825 1.799 -4.739 1.00 0.00 N ATOM 269 CA GLN A 371 7.650 0.373 -4.486 1.00 0.00 C ATOM 270 C GLN A 371 6.825 0.152 -3.222 1.00 0.00 C ATOM 271 O GLN A 371 5.880 -0.637 -3.214 1.00 0.00 O ATOM 272 CB GLN A 371 9.009 -0.316 -4.350 1.00 0.00 C ATOM 273 CG GLN A 371 8.911 -1.810 -4.087 1.00 0.00 C ATOM 274 CD GLN A 371 10.269 -2.467 -3.940 1.00 0.00 C ATOM 275 OE1 GLN A 371 11.090 -2.435 -4.856 1.00 0.00 O ATOM 276 NE2 GLN A 371 10.513 -3.069 -2.781 1.00 0.00 N ATOM 0 H GLN A 371 7.549 2.398 -3.961 1.00 0.00 H new ATOM 0 HA GLN A 371 7.118 -0.062 -5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 371 9.582 -0.153 -5.263 1.00 0.00 H new ATOM 0 HB3 GLN A 371 9.564 0.152 -3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 371 8.330 -1.978 -3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 371 8.369 -2.284 -4.905 1.00 0.00 H new ATOM 0 HE21 GLN A 371 9.803 -3.071 -2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 371 11.410 -3.529 -2.624 1.00 0.00 H new ATOM 285 N GLN A 372 7.189 0.861 -2.157 1.00 0.00 N ATOM 286 CA GLN A 372 6.485 0.755 -0.884 1.00 0.00 C ATOM 287 C GLN A 372 5.036 1.214 -1.025 1.00 0.00 C ATOM 288 O GLN A 372 4.721 2.052 -1.870 1.00 0.00 O ATOM 289 CB GLN A 372 7.192 1.580 0.197 1.00 0.00 C ATOM 290 CG GLN A 372 7.287 3.067 -0.120 1.00 0.00 C ATOM 291 CD GLN A 372 8.231 3.367 -1.269 1.00 0.00 C ATOM 292 OE1 GLN A 372 7.703 3.962 -2.331 1.00 0.00 O flip ATOM 293 NE2 GLN A 372 9.424 3.068 -1.201 1.00 0.00 N flip ATOM 0 H GLN A 372 7.970 1.517 -2.151 1.00 0.00 H new ATOM 0 HA GLN A 372 6.491 -0.293 -0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 372 6.662 1.454 1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 372 8.198 1.185 0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 372 6.294 3.445 -0.364 1.00 0.00 H new ATOM 0 HG3 GLN A 372 7.623 3.602 0.768 1.00 0.00 H new ATOM 0 HE21 GLN A 372 9.788 2.611 -0.365 1.00 0.00 H new ATOM 0 HE22 GLN A 372 10.047 3.277 -1.981 1.00 0.00 H new ATOM 302 N GLN A 373 4.159 0.655 -0.192 1.00 0.00 N ATOM 303 CA GLN A 373 2.740 1.002 -0.221 1.00 0.00 C ATOM 304 C GLN A 373 2.547 2.516 -0.184 1.00 0.00 C ATOM 305 O GLN A 373 3.092 3.202 0.682 1.00 0.00 O ATOM 306 CB GLN A 373 2.018 0.355 0.961 1.00 0.00 C ATOM 307 CG GLN A 373 0.529 0.657 1.008 1.00 0.00 C ATOM 308 CD GLN A 373 -0.165 -0.018 2.174 1.00 0.00 C ATOM 309 OE1 GLN A 373 -0.152 -1.243 2.295 1.00 0.00 O ATOM 310 NE2 GLN A 373 -0.779 0.781 3.040 1.00 0.00 N ATOM 0 H GLN A 373 4.407 -0.041 0.512 1.00 0.00 H new ATOM 0 HA GLN A 373 2.316 0.625 -1.152 1.00 0.00 H new ATOM 0 HB2 GLN A 373 2.159 -0.725 0.915 1.00 0.00 H new ATOM 0 HB3 GLN A 373 2.478 0.697 1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 373 0.382 1.735 1.077 1.00 0.00 H new ATOM 0 HG3 GLN A 373 0.066 0.331 0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -0.764 1.791 2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -1.265 0.384 3.844 1.00 0.00 H new ATOM 319 N ALA A 374 1.772 3.031 -1.134 1.00 0.00 N ATOM 320 CA ALA A 374 1.508 4.460 -1.218 1.00 0.00 C ATOM 321 C ALA A 374 0.011 4.733 -1.266 1.00 0.00 C ATOM 322 O ALA A 374 -0.746 3.963 -1.858 1.00 0.00 O ATOM 323 CB ALA A 374 2.196 5.052 -2.437 1.00 0.00 C ATOM 0 H ALA A 374 1.315 2.476 -1.858 1.00 0.00 H new ATOM 0 HA ALA A 374 1.910 4.936 -0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.990 6.121 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 374 3.272 4.893 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.820 4.567 -3.338 1.00 0.00 H new ATOM 329 N ALA A 375 -0.411 5.829 -0.646 1.00 0.00 N ATOM 330 CA ALA A 375 -1.820 6.195 -0.629 1.00 0.00 C ATOM 331 C ALA A 375 -2.388 6.217 -2.043 1.00 0.00 C ATOM 332 O ALA A 375 -2.129 7.140 -2.815 1.00 0.00 O ATOM 333 CB ALA A 375 -2.008 7.548 0.043 1.00 0.00 C ATOM 0 H ALA A 375 0.201 6.477 -0.150 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.363 5.444 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.067 7.808 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.642 7.499 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.451 8.307 -0.506 1.00 0.00 H new ATOM 339 N GLU A 376 -3.155 5.182 -2.372 1.00 0.00 N ATOM 340 CA GLU A 376 -3.769 5.051 -3.689 1.00 0.00 C ATOM 341 C GLU A 376 -4.748 6.195 -3.956 1.00 0.00 C ATOM 342 O GLU A 376 -4.590 7.297 -3.430 1.00 0.00 O ATOM 343 CB GLU A 376 -4.483 3.699 -3.787 1.00 0.00 C ATOM 344 CG GLU A 376 -3.596 2.513 -3.434 1.00 0.00 C ATOM 345 CD GLU A 376 -2.427 2.347 -4.387 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.573 3.256 -4.447 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.366 1.307 -5.075 1.00 0.00 O ATOM 0 H GLU A 376 -3.368 4.413 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 376 -2.987 5.102 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.348 3.705 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.861 3.570 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.217 2.638 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.195 1.603 -3.440 1.00 0.00 H new ATOM 354 N THR A 377 -5.757 5.931 -4.781 1.00 0.00 N ATOM 355 CA THR A 377 -6.751 6.939 -5.124 1.00 0.00 C ATOM 356 C THR A 377 -8.120 6.307 -5.320 1.00 0.00 C ATOM 357 O THR A 377 -8.222 5.119 -5.620 1.00 0.00 O ATOM 358 CB THR A 377 -6.357 7.697 -6.406 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.307 6.793 -7.516 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.004 8.371 -6.236 1.00 0.00 C ATOM 0 H THR A 377 -5.907 5.025 -5.225 1.00 0.00 H new ATOM 0 HA THR A 377 -6.794 7.644 -4.294 1.00 0.00 H new ATOM 0 HB THR A 377 -7.109 8.462 -6.596 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.058 7.284 -8.327 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.744 8.901 -7.152 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.052 9.079 -5.408 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.246 7.617 -6.025 1.00 0.00 H new ATOM 368 N GLU A 378 -9.168 7.104 -5.138 1.00 0.00 N ATOM 369 CA GLU A 378 -10.535 6.618 -5.285 1.00 0.00 C ATOM 370 C GLU A 378 -10.686 5.804 -6.562 1.00 0.00 C ATOM 371 O GLU A 378 -11.300 4.739 -6.562 1.00 0.00 O ATOM 372 CB GLU A 378 -11.519 7.788 -5.292 1.00 0.00 C ATOM 373 CG GLU A 378 -12.974 7.356 -5.364 1.00 0.00 C ATOM 374 CD GLU A 378 -13.930 8.533 -5.407 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.816 9.357 -6.340 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.793 8.630 -4.510 1.00 0.00 O ATOM 0 H GLU A 378 -9.096 8.090 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.758 5.973 -4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.369 8.384 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.297 8.434 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.123 6.739 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.208 6.734 -4.500 1.00 0.00 H new ATOM 383 N GLY A 379 -10.118 6.313 -7.646 1.00 0.00 N ATOM 384 CA GLY A 379 -10.199 5.621 -8.915 1.00 0.00 C ATOM 385 C GLY A 379 -9.496 4.280 -8.903 1.00 0.00 C ATOM 386 O GLY A 379 -10.002 3.304 -9.458 1.00 0.00 O ATOM 0 H GLY A 379 -9.603 7.193 -7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.247 5.473 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.762 6.247 -9.693 1.00 0.00 H new ATOM 390 N SER A 380 -8.328 4.228 -8.275 1.00 0.00 N ATOM 391 CA SER A 380 -7.563 2.991 -8.205 1.00 0.00 C ATOM 392 C SER A 380 -8.262 1.950 -7.337 1.00 0.00 C ATOM 393 O SER A 380 -8.427 0.802 -7.742 1.00 0.00 O ATOM 394 CB SER A 380 -6.166 3.265 -7.665 1.00 0.00 C ATOM 395 OG SER A 380 -5.405 2.073 -7.579 1.00 0.00 O ATOM 0 H SER A 380 -7.892 5.024 -7.809 1.00 0.00 H new ATOM 0 HA SER A 380 -7.487 2.591 -9.216 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.657 3.978 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.238 3.725 -6.679 1.00 0.00 H new ATOM 0 HG SER A 380 -4.512 2.279 -7.231 1.00 0.00 H new ATOM 401 N CYS A 381 -8.665 2.361 -6.139 1.00 0.00 N ATOM 402 CA CYS A 381 -9.335 1.469 -5.196 1.00 0.00 C ATOM 403 C CYS A 381 -10.547 0.783 -5.821 1.00 0.00 C ATOM 404 O CYS A 381 -10.746 -0.419 -5.646 1.00 0.00 O ATOM 405 CB CYS A 381 -9.768 2.249 -3.956 1.00 0.00 C ATOM 406 SG CYS A 381 -8.396 3.047 -3.065 1.00 0.00 S ATOM 0 H CYS A 381 -8.538 3.313 -5.795 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.621 0.694 -4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.487 3.012 -4.253 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.284 1.572 -3.276 1.00 0.00 H new ATOM 411 N ASN A 382 -11.358 1.552 -6.539 1.00 0.00 N ATOM 412 CA ASN A 382 -12.556 1.015 -7.181 1.00 0.00 C ATOM 413 C ASN A 382 -12.228 -0.198 -8.045 1.00 0.00 C ATOM 414 O ASN A 382 -13.060 -1.087 -8.225 1.00 0.00 O ATOM 415 CB ASN A 382 -13.228 2.085 -8.046 1.00 0.00 C ATOM 416 CG ASN A 382 -13.682 3.297 -7.252 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.435 3.289 -5.947 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.251 4.236 -7.810 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.209 2.549 -6.692 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.238 0.705 -6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.532 2.406 -8.821 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.088 1.647 -8.552 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.422 4.204 -8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.551 5.046 -7.267 1.00 0.00 H new ATOM 425 N LYS A 383 -11.020 -0.217 -8.595 1.00 0.00 N ATOM 426 CA LYS A 383 -10.589 -1.306 -9.459 1.00 0.00 C ATOM 427 C LYS A 383 -10.023 -2.471 -8.651 1.00 0.00 C ATOM 428 O LYS A 383 -10.125 -3.629 -9.057 1.00 0.00 O ATOM 429 CB LYS A 383 -9.542 -0.793 -10.448 1.00 0.00 C ATOM 430 CG LYS A 383 -9.936 0.514 -11.123 1.00 0.00 C ATOM 431 CD LYS A 383 -11.267 0.400 -11.856 1.00 0.00 C ATOM 432 CE LYS A 383 -11.215 -0.643 -12.962 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.176 -0.322 -13.979 1.00 0.00 N ATOM 0 H LYS A 383 -10.320 0.512 -8.457 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.459 -1.673 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.597 -0.652 -9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.373 -1.551 -11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.001 1.303 -10.374 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.158 0.807 -11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.052 0.138 -11.146 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.532 1.368 -12.281 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.009 -1.622 -12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.189 -0.708 -13.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -10.305 -0.932 -14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.265 0.674 -14.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -9.232 -0.484 -13.574 1.00 0.00 H new ATOM 447 N LYS A 384 -9.413 -2.154 -7.515 1.00 0.00 N ATOM 448 CA LYS A 384 -8.814 -3.161 -6.656 1.00 0.00 C ATOM 449 C LYS A 384 -9.859 -4.083 -6.037 1.00 0.00 C ATOM 450 O LYS A 384 -10.811 -3.624 -5.405 1.00 0.00 O ATOM 451 CB LYS A 384 -8.008 -2.466 -5.559 1.00 0.00 C ATOM 452 CG LYS A 384 -6.614 -2.010 -5.987 1.00 0.00 C ATOM 453 CD LYS A 384 -6.596 -1.348 -7.357 1.00 0.00 C ATOM 454 CE LYS A 384 -6.291 -2.346 -8.465 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.243 -1.691 -9.802 1.00 0.00 N ATOM 0 H LYS A 384 -9.321 -1.199 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.160 -3.784 -7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.568 -1.599 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.910 -3.146 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.224 -1.311 -5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.944 -2.870 -5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.562 -0.879 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.849 -0.555 -7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.336 -2.832 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.051 -3.127 -8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.952 -2.125 -10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.447 -0.676 -9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.296 -1.813 -10.215 1.00 0.00 H new ATOM 469 N ASP A 385 -9.662 -5.391 -6.205 1.00 0.00 N ATOM 470 CA ASP A 385 -10.576 -6.379 -5.642 1.00 0.00 C ATOM 471 C ASP A 385 -10.416 -6.426 -4.128 1.00 0.00 C ATOM 472 O ASP A 385 -9.648 -5.652 -3.564 1.00 0.00 O ATOM 473 CB ASP A 385 -10.313 -7.763 -6.243 1.00 0.00 C ATOM 474 CG ASP A 385 -10.540 -7.796 -7.743 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.673 -7.504 -8.178 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.583 -8.114 -8.481 1.00 0.00 O ATOM 0 H ASP A 385 -8.879 -5.788 -6.725 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.598 -6.088 -5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.287 -8.061 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.964 -8.494 -5.764 1.00 0.00 H new ATOM 481 N GLN A 386 -11.137 -7.332 -3.473 1.00 0.00 N ATOM 482 CA GLN A 386 -11.062 -7.458 -2.020 1.00 0.00 C ATOM 483 C GLN A 386 -9.611 -7.489 -1.545 1.00 0.00 C ATOM 484 O GLN A 386 -9.208 -6.690 -0.699 1.00 0.00 O ATOM 485 CB GLN A 386 -11.788 -8.724 -1.558 1.00 0.00 C ATOM 486 CG GLN A 386 -11.753 -8.931 -0.052 1.00 0.00 C ATOM 487 CD GLN A 386 -12.488 -10.184 0.383 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.133 -11.294 -0.015 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.516 -10.013 1.205 1.00 0.00 N ATOM 0 H GLN A 386 -11.777 -7.987 -3.922 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.548 -6.586 -1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.826 -8.677 -1.886 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.338 -9.589 -2.046 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.716 -8.990 0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.196 -8.065 0.440 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.775 -9.075 1.509 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.047 -10.820 1.532 1.00 0.00 H new ATOM 498 N ASN A 387 -8.832 -8.410 -2.098 1.00 0.00 N ATOM 499 CA ASN A 387 -7.432 -8.547 -1.739 1.00 0.00 C ATOM 500 C ASN A 387 -6.626 -7.318 -2.157 1.00 0.00 C ATOM 501 O ASN A 387 -5.682 -6.923 -1.473 1.00 0.00 O ATOM 502 CB ASN A 387 -6.857 -9.798 -2.396 1.00 0.00 C ATOM 503 CG ASN A 387 -6.940 -9.750 -3.909 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.024 -9.630 -4.480 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.792 -9.846 -4.566 1.00 0.00 N ATOM 0 H ASN A 387 -9.152 -9.076 -2.801 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.364 -8.637 -0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.816 -9.916 -2.096 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.394 -10.674 -2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -5.784 -9.822 -5.586 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.917 -9.944 -4.052 1.00 0.00 H new ATOM 512 N GLU A 388 -6.999 -6.727 -3.287 1.00 0.00 N ATOM 513 CA GLU A 388 -6.306 -5.551 -3.805 1.00 0.00 C ATOM 514 C GLU A 388 -6.727 -4.288 -3.070 1.00 0.00 C ATOM 515 O GLU A 388 -6.063 -3.256 -3.177 1.00 0.00 O ATOM 516 CB GLU A 388 -6.563 -5.402 -5.303 1.00 0.00 C ATOM 517 CG GLU A 388 -6.063 -6.576 -6.126 1.00 0.00 C ATOM 518 CD GLU A 388 -6.309 -6.392 -7.611 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.790 -5.409 -8.181 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.019 -7.231 -8.203 1.00 0.00 O ATOM 0 H GLU A 388 -7.779 -7.043 -3.863 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.238 -5.693 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.634 -5.283 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.082 -4.490 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.995 -6.709 -5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.557 -7.488 -5.790 1.00 0.00 H new ATOM 527 N CYS A 389 -7.825 -4.365 -2.325 1.00 0.00 N ATOM 528 CA CYS A 389 -8.300 -3.211 -1.581 1.00 0.00 C ATOM 529 C CYS A 389 -7.218 -2.777 -0.601 1.00 0.00 C ATOM 530 O CYS A 389 -7.032 -3.385 0.453 1.00 0.00 O ATOM 531 CB CYS A 389 -9.603 -3.538 -0.849 1.00 0.00 C ATOM 532 SG CYS A 389 -10.554 -2.070 -0.341 1.00 0.00 S ATOM 0 H CYS A 389 -8.395 -5.205 -2.223 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.510 -2.393 -2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.226 -4.156 -1.495 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.372 -4.133 0.035 1.00 0.00 H new ATOM 537 N LYS A 390 -6.481 -1.743 -0.985 1.00 0.00 N ATOM 538 CA LYS A 390 -5.377 -1.234 -0.183 1.00 0.00 C ATOM 539 C LYS A 390 -5.855 -0.539 1.089 1.00 0.00 C ATOM 540 O LYS A 390 -7.028 -0.189 1.220 1.00 0.00 O ATOM 541 CB LYS A 390 -4.527 -0.297 -1.030 1.00 0.00 C ATOM 542 CG LYS A 390 -3.863 -0.997 -2.211 1.00 0.00 C ATOM 543 CD LYS A 390 -2.731 -1.911 -1.762 1.00 0.00 C ATOM 544 CE LYS A 390 -1.617 -1.134 -1.077 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.020 -0.106 -1.973 1.00 0.00 N ATOM 0 H LYS A 390 -6.631 -1.236 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.774 -2.083 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.152 0.515 -1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.758 0.153 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.607 -1.580 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.475 -0.251 -2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.122 -2.665 -1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.327 -2.441 -2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.009 -0.651 -0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -0.840 -1.826 -0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.017 -0.177 -1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.347 -0.263 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.313 0.841 -1.658 1.00 0.00 H new ATOM 559 N SER A 391 -4.930 -0.372 2.031 1.00 0.00 N ATOM 560 CA SER A 391 -5.231 0.251 3.320 1.00 0.00 C ATOM 561 C SER A 391 -5.934 1.600 3.164 1.00 0.00 C ATOM 562 O SER A 391 -7.006 1.801 3.734 1.00 0.00 O ATOM 563 CB SER A 391 -3.953 0.414 4.146 1.00 0.00 C ATOM 564 OG SER A 391 -4.229 1.017 5.398 1.00 0.00 O ATOM 0 H SER A 391 -3.958 -0.662 1.925 1.00 0.00 H new ATOM 0 HA SER A 391 -5.918 -0.414 3.844 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.490 -0.561 4.302 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.236 1.023 3.596 1.00 0.00 H new ATOM 0 HG SER A 391 -3.397 1.109 5.907 1.00 0.00 H new ATOM 570 N PRO A 392 -5.361 2.551 2.392 1.00 0.00 N ATOM 571 CA PRO A 392 -5.980 3.857 2.197 1.00 0.00 C ATOM 572 C PRO A 392 -7.424 3.716 1.736 1.00 0.00 C ATOM 573 O PRO A 392 -8.285 4.527 2.081 1.00 0.00 O ATOM 574 CB PRO A 392 -5.124 4.520 1.109 1.00 0.00 C ATOM 575 CG PRO A 392 -4.232 3.459 0.573 1.00 0.00 C ATOM 576 CD PRO A 392 -4.093 2.443 1.658 1.00 0.00 C ATOM 0 HA PRO A 392 -6.015 4.440 3.117 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.751 4.935 0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.543 5.345 1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.656 3.012 -0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.261 3.870 0.298 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.947 1.441 1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.238 2.655 2.300 1.00 0.00 H new ATOM 584 N CYS A 393 -7.677 2.671 0.954 1.00 0.00 N ATOM 585 CA CYS A 393 -9.011 2.399 0.438 1.00 0.00 C ATOM 586 C CYS A 393 -9.942 1.941 1.553 1.00 0.00 C ATOM 587 O CYS A 393 -9.513 1.304 2.516 1.00 0.00 O ATOM 588 CB CYS A 393 -8.957 1.321 -0.642 1.00 0.00 C ATOM 589 SG CYS A 393 -7.658 1.568 -1.893 1.00 0.00 S ATOM 0 H CYS A 393 -6.970 1.996 0.663 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.395 3.325 0.010 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.804 0.353 -0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.924 1.279 -1.144 1.00 0.00 H new ATOM 594 N LYS A 394 -11.219 2.257 1.403 1.00 0.00 N ATOM 595 CA LYS A 394 -12.228 1.868 2.383 1.00 0.00 C ATOM 596 C LYS A 394 -12.999 0.656 1.882 1.00 0.00 C ATOM 597 O LYS A 394 -13.705 0.728 0.870 1.00 0.00 O ATOM 598 CB LYS A 394 -13.190 3.027 2.660 1.00 0.00 C ATOM 599 CG LYS A 394 -14.149 2.760 3.808 1.00 0.00 C ATOM 600 CD LYS A 394 -13.426 2.740 5.143 1.00 0.00 C ATOM 601 CE LYS A 394 -12.893 4.115 5.504 1.00 0.00 C ATOM 602 NZ LYS A 394 -13.990 5.105 5.688 1.00 0.00 N ATOM 0 H LYS A 394 -11.585 2.784 0.610 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.724 1.610 3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.611 3.924 2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.765 3.234 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.923 3.528 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.650 1.805 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.106 2.396 5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.602 2.028 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.307 4.048 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -12.220 4.461 4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -13.767 5.972 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -14.882 4.704 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.088 5.331 6.698 1.00 0.00 H new ATOM 616 N TRP A 395 -12.850 -0.457 2.589 1.00 0.00 N ATOM 617 CA TRP A 395 -13.518 -1.695 2.219 1.00 0.00 C ATOM 618 C TRP A 395 -14.912 -1.783 2.832 1.00 0.00 C ATOM 619 O TRP A 395 -15.073 -2.278 3.949 1.00 0.00 O ATOM 620 CB TRP A 395 -12.683 -2.898 2.661 1.00 0.00 C ATOM 621 CG TRP A 395 -13.288 -4.214 2.282 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.719 -5.191 3.131 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.518 -4.703 0.956 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.215 -6.253 2.415 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.101 -5.979 1.077 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.292 -4.185 -0.321 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.459 -6.743 -0.032 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.647 -4.943 -1.421 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.225 -6.210 -1.269 1.00 0.00 C ATOM 0 H TRP A 395 -12.270 -0.526 3.425 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.623 -1.703 1.134 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.689 -2.823 2.219 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.555 -2.864 3.743 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.676 -5.137 4.209 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.605 -7.107 2.814 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.847 -3.209 -0.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.905 -7.720 0.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.476 -4.552 -2.413 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.492 -6.778 -2.148 1.00 0.00 H new ATOM 640 N HIS A 396 -15.918 -1.317 2.100 1.00 0.00 N ATOM 641 CA HIS A 396 -17.289 -1.367 2.589 1.00 0.00 C ATOM 642 C HIS A 396 -17.785 -2.809 2.631 1.00 0.00 C ATOM 643 O HIS A 396 -17.965 -3.448 1.589 1.00 0.00 O ATOM 644 CB HIS A 396 -18.211 -0.522 1.710 1.00 0.00 C ATOM 645 CG HIS A 396 -17.885 0.938 1.732 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.924 1.700 2.881 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.512 1.779 0.738 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.590 2.945 2.593 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.334 3.020 1.300 1.00 0.00 N ATOM 0 H HIS A 396 -15.811 -0.904 1.174 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.304 -0.957 3.599 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -18.153 -0.884 0.683 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.241 -0.661 2.039 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -17.379 1.522 -0.303 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.536 3.763 3.296 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -17.050 3.862 0.800 1.00 0.00 H new ATOM 658 N ASN A 397 -17.996 -3.307 3.847 1.00 0.00 N ATOM 659 CA ASN A 397 -18.467 -4.671 4.059 1.00 0.00 C ATOM 660 C ASN A 397 -19.986 -4.752 3.941 1.00 0.00 C ATOM 661 O ASN A 397 -20.686 -3.754 4.116 1.00 0.00 O ATOM 662 CB ASN A 397 -18.019 -5.182 5.429 1.00 0.00 C ATOM 663 CG ASN A 397 -18.504 -4.300 6.562 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.179 -3.114 6.625 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.286 -4.876 7.467 1.00 0.00 N ATOM 0 H ASN A 397 -17.846 -2.780 4.707 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.030 -5.301 3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.393 -6.195 5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -16.931 -5.237 5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.642 -4.332 8.253 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.531 -5.862 7.376 1.00 0.00 H new ATOM 672 N ASP A 398 -20.485 -5.947 3.637 1.00 0.00 N ATOM 673 CA ASP A 398 -21.919 -6.172 3.485 1.00 0.00 C ATOM 674 C ASP A 398 -22.481 -5.307 2.364 1.00 0.00 C ATOM 675 O ASP A 398 -23.664 -4.965 2.358 1.00 0.00 O ATOM 676 CB ASP A 398 -22.653 -5.875 4.796 1.00 0.00 C ATOM 677 CG ASP A 398 -22.199 -6.773 5.931 1.00 0.00 C ATOM 678 OD1 ASP A 398 -20.995 -6.753 6.258 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.049 -7.496 6.492 1.00 0.00 O ATOM 0 H ASP A 398 -19.913 -6.779 3.490 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.073 -7.220 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.489 -4.834 5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.725 -6.000 4.645 1.00 0.00 H new ATOM 684 N ALA A 399 -21.622 -4.970 1.410 1.00 0.00 N ATOM 685 CA ALA A 399 -22.021 -4.158 0.271 1.00 0.00 C ATOM 686 C ALA A 399 -22.807 -4.991 -0.733 1.00 0.00 C ATOM 687 O ALA A 399 -22.639 -6.208 -0.805 1.00 0.00 O ATOM 688 CB ALA A 399 -20.798 -3.540 -0.392 1.00 0.00 C ATOM 0 H ALA A 399 -20.641 -5.249 1.404 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.666 -3.355 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.112 -2.935 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.273 -2.911 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.132 -4.331 -0.736 1.00 0.00 H new ATOM 694 N GLU A 400 -23.664 -4.329 -1.507 1.00 0.00 N ATOM 695 CA GLU A 400 -24.474 -5.011 -2.512 1.00 0.00 C ATOM 696 C GLU A 400 -23.609 -5.951 -3.346 1.00 0.00 C ATOM 697 O GLU A 400 -24.056 -7.020 -3.762 1.00 0.00 O ATOM 698 CB GLU A 400 -25.169 -3.995 -3.425 1.00 0.00 C ATOM 699 CG GLU A 400 -26.206 -3.133 -2.717 1.00 0.00 C ATOM 700 CD GLU A 400 -25.604 -2.249 -1.642 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.735 -1.417 -1.975 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.002 -2.391 -0.467 1.00 0.00 O ATOM 0 H GLU A 400 -23.815 -3.321 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.235 -5.596 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.415 -3.346 -3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.653 -4.529 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.714 -2.508 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.962 -3.778 -2.269 1.00 0.00 H new ATOM 709 N ASN A 401 -22.366 -5.540 -3.576 1.00 0.00 N ATOM 710 CA ASN A 401 -21.418 -6.334 -4.351 1.00 0.00 C ATOM 711 C ASN A 401 -19.990 -6.009 -3.926 1.00 0.00 C ATOM 712 O ASN A 401 -19.073 -5.995 -4.748 1.00 0.00 O ATOM 713 CB ASN A 401 -21.591 -6.049 -5.843 1.00 0.00 C ATOM 714 CG ASN A 401 -23.005 -6.302 -6.320 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.423 -7.448 -6.491 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.760 -5.227 -6.501 1.00 0.00 N ATOM 0 H ASN A 401 -21.990 -4.656 -3.234 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.612 -7.390 -4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.323 -5.012 -6.045 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.902 -6.673 -6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.732 -5.330 -6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.369 -4.298 -6.347 1.00 0.00 H new ATOM 723 N LYS A 402 -19.820 -5.742 -2.631 1.00 0.00 N ATOM 724 CA LYS A 402 -18.512 -5.404 -2.067 1.00 0.00 C ATOM 725 C LYS A 402 -18.017 -4.069 -2.613 1.00 0.00 C ATOM 726 O LYS A 402 -18.041 -3.837 -3.821 1.00 0.00 O ATOM 727 CB LYS A 402 -17.491 -6.503 -2.372 1.00 0.00 C ATOM 728 CG LYS A 402 -17.852 -7.861 -1.788 1.00 0.00 C ATOM 729 CD LYS A 402 -17.926 -7.818 -0.270 1.00 0.00 C ATOM 730 CE LYS A 402 -18.263 -9.181 0.311 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.270 -10.217 -0.092 1.00 0.00 N ATOM 0 H LYS A 402 -20.578 -5.753 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.625 -5.320 -0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.388 -6.599 -3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.518 -6.199 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.811 -8.187 -2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.110 -8.598 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.972 -7.476 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.680 -7.094 0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.297 -9.114 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.257 -9.482 -0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.368 -11.050 0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.440 -10.495 -1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.309 -9.830 -0.001 1.00 0.00 H new ATOM 745 N LYS A 403 -17.575 -3.183 -1.721 1.00 0.00 N ATOM 746 CA LYS A 403 -17.091 -1.873 -2.146 1.00 0.00 C ATOM 747 C LYS A 403 -15.707 -1.566 -1.579 1.00 0.00 C ATOM 748 O LYS A 403 -15.377 -1.962 -0.463 1.00 0.00 O ATOM 749 CB LYS A 403 -18.079 -0.783 -1.730 1.00 0.00 C ATOM 750 CG LYS A 403 -19.473 -0.977 -2.304 1.00 0.00 C ATOM 751 CD LYS A 403 -20.430 0.115 -1.845 1.00 0.00 C ATOM 752 CE LYS A 403 -20.004 1.487 -2.349 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.975 1.551 -3.836 1.00 0.00 N ATOM 0 H LYS A 403 -17.542 -3.346 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 403 -17.008 -1.892 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.143 -0.758 -0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.695 0.186 -2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.421 -0.980 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.859 -1.950 -2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.435 -0.108 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.475 0.125 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.690 2.243 -1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.016 1.727 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -20.472 2.407 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.988 1.580 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.445 0.711 -4.229 1.00 0.00 H new ATOM 767 N CYS A 404 -14.907 -0.848 -2.365 1.00 0.00 N ATOM 768 CA CYS A 404 -13.556 -0.465 -1.961 1.00 0.00 C ATOM 769 C CYS A 404 -13.272 0.974 -2.383 1.00 0.00 C ATOM 770 O CYS A 404 -12.430 1.221 -3.244 1.00 0.00 O ATOM 771 CB CYS A 404 -12.511 -1.398 -2.586 1.00 0.00 C ATOM 772 SG CYS A 404 -10.799 -1.034 -2.077 1.00 0.00 S ATOM 0 H CYS A 404 -15.174 -0.518 -3.292 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.491 -0.547 -0.876 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.749 -2.427 -2.316 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.580 -1.329 -3.672 1.00 0.00 H new ATOM 777 N THR A 405 -13.990 1.922 -1.784 1.00 0.00 N ATOM 778 CA THR A 405 -13.813 3.334 -2.119 1.00 0.00 C ATOM 779 C THR A 405 -12.726 3.980 -1.270 1.00 0.00 C ATOM 780 O THR A 405 -12.737 3.873 -0.049 1.00 0.00 O ATOM 781 CB THR A 405 -15.115 4.132 -1.945 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.563 4.051 -0.587 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.200 3.613 -2.876 1.00 0.00 C ATOM 0 H THR A 405 -14.695 1.741 -1.069 1.00 0.00 H new ATOM 0 HA THR A 405 -13.516 3.360 -3.168 1.00 0.00 H new ATOM 0 HB THR A 405 -14.912 5.173 -2.198 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.788 4.032 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.111 4.194 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.868 3.707 -3.910 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.400 2.565 -2.653 1.00 0.00 H new ATOM 791 N LEU A 406 -11.801 4.662 -1.931 1.00 0.00 N ATOM 792 CA LEU A 406 -10.705 5.336 -1.249 1.00 0.00 C ATOM 793 C LEU A 406 -11.236 6.376 -0.272 1.00 0.00 C ATOM 794 O LEU A 406 -12.232 7.048 -0.538 1.00 0.00 O ATOM 795 CB LEU A 406 -9.775 5.984 -2.277 1.00 0.00 C ATOM 796 CG LEU A 406 -8.440 6.512 -1.747 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.628 7.809 -0.984 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.758 5.471 -0.874 1.00 0.00 C ATOM 0 H LEU A 406 -11.788 4.763 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.140 4.599 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.568 5.253 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.308 6.811 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.798 6.717 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.663 8.160 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.061 8.560 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.295 7.640 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.811 5.867 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.401 5.228 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.573 4.570 -1.459 1.00 0.00 H new ATOM 810 N ASP A 407 -10.558 6.500 0.860 1.00 0.00 N ATOM 811 CA ASP A 407 -10.949 7.456 1.890 1.00 0.00 C ATOM 812 C ASP A 407 -10.005 8.655 1.897 1.00 0.00 C ATOM 813 O ASP A 407 -8.786 8.492 1.925 1.00 0.00 O ATOM 814 CB ASP A 407 -10.953 6.779 3.262 1.00 0.00 C ATOM 815 CG ASP A 407 -11.536 7.666 4.347 1.00 0.00 C ATOM 816 OD1 ASP A 407 -10.975 8.754 4.590 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.553 7.271 4.954 1.00 0.00 O ATOM 0 H ASP A 407 -9.731 5.949 1.090 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.955 7.811 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.528 5.854 3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.933 6.504 3.531 1.00 0.00 H new ATOM 822 N LYS A 408 -10.573 9.858 1.869 1.00 0.00 N ATOM 823 CA LYS A 408 -9.773 11.081 1.866 1.00 0.00 C ATOM 824 C LYS A 408 -8.978 11.231 3.162 1.00 0.00 C ATOM 825 O LYS A 408 -7.782 11.516 3.135 1.00 0.00 O ATOM 826 CB LYS A 408 -10.670 12.306 1.668 1.00 0.00 C ATOM 827 CG LYS A 408 -11.369 12.342 0.318 1.00 0.00 C ATOM 828 CD LYS A 408 -12.256 13.571 0.179 1.00 0.00 C ATOM 829 CE LYS A 408 -11.455 14.860 0.287 1.00 0.00 C ATOM 830 NZ LYS A 408 -10.401 14.951 -0.762 1.00 0.00 N ATOM 0 H LYS A 408 -11.581 10.013 1.848 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.069 11.010 1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.422 12.326 2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.068 13.208 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.624 12.338 -0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.972 11.442 0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.770 13.542 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -13.024 13.554 0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.128 15.713 0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.992 14.918 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -10.005 15.913 -0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -9.645 14.268 -0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.816 14.736 -1.691 1.00 0.00 H new ATOM 844 N GLU A 409 -9.654 11.048 4.293 1.00 0.00 N ATOM 845 CA GLU A 409 -9.021 11.171 5.600 1.00 0.00 C ATOM 846 C GLU A 409 -7.894 10.155 5.774 1.00 0.00 C ATOM 847 O GLU A 409 -6.818 10.487 6.274 1.00 0.00 O ATOM 848 CB GLU A 409 -10.062 10.989 6.706 1.00 0.00 C ATOM 849 CG GLU A 409 -9.487 11.098 8.107 1.00 0.00 C ATOM 850 CD GLU A 409 -10.533 10.901 9.187 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.146 9.815 9.228 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.739 11.834 9.991 1.00 0.00 O ATOM 0 H GLU A 409 -10.646 10.813 4.329 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.588 12.169 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.844 11.739 6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.535 10.014 6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.699 10.355 8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.024 12.077 8.230 1.00 0.00 H new ATOM 859 N GLU A 410 -8.147 8.917 5.369 1.00 0.00 N ATOM 860 CA GLU A 410 -7.154 7.855 5.490 1.00 0.00 C ATOM 861 C GLU A 410 -5.969 8.104 4.562 1.00 0.00 C ATOM 862 O GLU A 410 -4.813 8.004 4.973 1.00 0.00 O ATOM 863 CB GLU A 410 -7.790 6.499 5.176 1.00 0.00 C ATOM 864 CG GLU A 410 -6.830 5.325 5.300 1.00 0.00 C ATOM 865 CD GLU A 410 -6.331 5.113 6.720 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.778 5.849 7.626 1.00 0.00 O ATOM 867 OE2 GLU A 410 -5.499 4.206 6.926 1.00 0.00 O ATOM 0 H GLU A 410 -9.031 8.623 4.954 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.788 7.849 6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.633 6.339 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.191 6.523 4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.328 4.418 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.977 5.489 4.642 1.00 0.00 H new ATOM 874 N ALA A 411 -6.265 8.419 3.304 1.00 0.00 N ATOM 875 CA ALA A 411 -5.228 8.671 2.309 1.00 0.00 C ATOM 876 C ALA A 411 -4.318 9.826 2.712 1.00 0.00 C ATOM 877 O ALA A 411 -3.096 9.712 2.641 1.00 0.00 O ATOM 878 CB ALA A 411 -5.857 8.950 0.953 1.00 0.00 C ATOM 0 H ALA A 411 -7.217 8.506 2.949 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.612 7.774 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.073 9.136 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.448 8.088 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.502 9.826 1.024 1.00 0.00 H new ATOM 884 N LYS A 412 -4.914 10.940 3.121 1.00 0.00 N ATOM 885 CA LYS A 412 -4.140 12.109 3.522 1.00 0.00 C ATOM 886 C LYS A 412 -3.270 11.794 4.734 1.00 0.00 C ATOM 887 O LYS A 412 -2.106 12.188 4.793 1.00 0.00 O ATOM 888 CB LYS A 412 -5.066 13.291 3.827 1.00 0.00 C ATOM 889 CG LYS A 412 -6.002 13.052 5.003 1.00 0.00 C ATOM 890 CD LYS A 412 -6.860 14.272 5.295 1.00 0.00 C ATOM 891 CE LYS A 412 -6.015 15.454 5.745 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.847 16.651 6.043 1.00 0.00 N ATOM 0 H LYS A 412 -5.925 11.059 3.184 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.488 12.382 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.459 14.173 4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.661 13.512 2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.645 12.198 4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.418 12.798 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.422 14.545 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.588 14.029 6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.447 15.177 6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.291 15.700 4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.233 17.434 6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.370 16.932 5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.521 16.425 6.803 1.00 0.00 H new ATOM 906 N LYS A 413 -3.843 11.086 5.702 1.00 0.00 N ATOM 907 CA LYS A 413 -3.127 10.722 6.913 1.00 0.00 C ATOM 908 C LYS A 413 -1.894 9.879 6.596 1.00 0.00 C ATOM 909 O LYS A 413 -0.818 10.108 7.147 1.00 0.00 O ATOM 910 CB LYS A 413 -4.056 9.949 7.848 1.00 0.00 C ATOM 911 CG LYS A 413 -3.548 9.886 9.274 1.00 0.00 C ATOM 912 CD LYS A 413 -4.476 9.079 10.172 1.00 0.00 C ATOM 913 CE LYS A 413 -5.848 9.725 10.293 1.00 0.00 C ATOM 914 NZ LYS A 413 -5.774 11.086 10.891 1.00 0.00 N ATOM 0 H LYS A 413 -4.806 10.753 5.668 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.794 11.639 7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -5.041 10.417 7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.182 8.935 7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -2.553 9.440 9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -3.449 10.897 9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -4.583 8.071 9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -4.031 8.983 11.162 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -6.307 9.787 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -6.493 9.095 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -6.729 11.400 11.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -5.168 11.061 11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -5.373 11.749 10.197 1.00 0.00 H new ATOM 928 N VAL A 414 -2.061 8.896 5.712 1.00 0.00 N ATOM 929 CA VAL A 414 -0.964 8.009 5.334 1.00 0.00 C ATOM 930 C VAL A 414 0.069 8.718 4.458 1.00 0.00 C ATOM 931 O VAL A 414 1.271 8.590 4.678 1.00 0.00 O ATOM 932 CB VAL A 414 -1.485 6.768 4.585 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.334 5.855 4.188 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.498 6.017 5.438 1.00 0.00 C ATOM 0 H VAL A 414 -2.945 8.695 5.245 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.484 7.701 6.263 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.983 7.101 3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.725 4.985 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.352 6.397 3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 414 0.197 5.529 5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.856 5.143 4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.026 5.697 6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.339 6.672 5.665 1.00 0.00 H new ATOM 944 N ALA A 415 -0.405 9.449 3.458 1.00 0.00 N ATOM 945 CA ALA A 415 0.481 10.163 2.541 1.00 0.00 C ATOM 946 C ALA A 415 1.305 11.228 3.260 1.00 0.00 C ATOM 947 O ALA A 415 2.482 11.424 2.957 1.00 0.00 O ATOM 948 CB ALA A 415 -0.326 10.793 1.416 1.00 0.00 C ATOM 0 H ALA A 415 -1.399 9.565 3.259 1.00 0.00 H new ATOM 0 HA ALA A 415 1.177 9.436 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.345 11.322 0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.855 10.014 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -1.047 11.495 1.835 1.00 0.00 H new ATOM 954 N ASP A 416 0.676 11.923 4.201 1.00 0.00 N ATOM 955 CA ASP A 416 1.348 12.981 4.950 1.00 0.00 C ATOM 956 C ASP A 416 2.183 12.427 6.101 1.00 0.00 C ATOM 957 O ASP A 416 2.261 13.035 7.170 1.00 0.00 O ATOM 958 CB ASP A 416 0.327 13.985 5.486 1.00 0.00 C ATOM 959 CG ASP A 416 -0.375 14.746 4.377 1.00 0.00 C ATOM 960 OD1 ASP A 416 0.324 15.404 3.577 1.00 0.00 O ATOM 961 OD2 ASP A 416 -1.620 14.689 4.313 1.00 0.00 O ATOM 0 H ASP A 416 -0.298 11.774 4.464 1.00 0.00 H new ATOM 0 HA ASP A 416 2.025 13.484 4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.414 13.459 6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.829 14.692 6.146 1.00 0.00 H new ATOM 966 N GLU A 417 2.818 11.281 5.878 1.00 0.00 N ATOM 967 CA GLU A 417 3.655 10.669 6.905 1.00 0.00 C ATOM 968 C GLU A 417 4.578 9.600 6.318 1.00 0.00 C ATOM 969 O GLU A 417 5.770 9.567 6.624 1.00 0.00 O ATOM 970 CB GLU A 417 2.789 10.066 8.013 1.00 0.00 C ATOM 971 CG GLU A 417 1.910 8.914 7.555 1.00 0.00 C ATOM 972 CD GLU A 417 1.078 8.326 8.680 1.00 0.00 C ATOM 973 OE1 GLU A 417 1.187 8.822 9.822 1.00 0.00 O ATOM 974 OE2 GLU A 417 0.319 7.370 8.420 1.00 0.00 O ATOM 0 H GLU A 417 2.770 10.760 5.002 1.00 0.00 H new ATOM 0 HA GLU A 417 4.280 11.455 7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 417 3.437 9.717 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 417 2.156 10.848 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.247 9.261 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 417 2.537 8.132 7.126 1.00 0.00 H new ATOM 981 N THR A 418 4.025 8.726 5.482 1.00 0.00 N ATOM 982 CA THR A 418 4.808 7.659 4.866 1.00 0.00 C ATOM 983 C THR A 418 5.543 8.150 3.622 1.00 0.00 C ATOM 984 O THR A 418 5.690 7.411 2.648 1.00 0.00 O ATOM 985 CB THR A 418 3.920 6.458 4.484 1.00 0.00 C ATOM 986 OG1 THR A 418 2.934 6.861 3.526 1.00 0.00 O ATOM 987 CG2 THR A 418 3.236 5.879 5.714 1.00 0.00 C ATOM 0 H THR A 418 3.040 8.735 5.216 1.00 0.00 H new ATOM 0 HA THR A 418 5.539 7.342 5.609 1.00 0.00 H new ATOM 0 HB THR A 418 4.556 5.689 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 418 2.270 7.435 3.962 1.00 0.00 H new ATOM 0 HG21 THR A 418 2.615 5.033 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 418 3.990 5.545 6.427 1.00 0.00 H new ATOM 0 HG23 THR A 418 2.612 6.644 6.177 1.00 0.00 H new ATOM 995 N ALA A 419 6.010 9.397 3.663 1.00 0.00 N ATOM 996 CA ALA A 419 6.735 9.984 2.539 1.00 0.00 C ATOM 997 C ALA A 419 7.162 11.416 2.843 1.00 0.00 C ATOM 998 O ALA A 419 8.318 11.784 2.637 1.00 0.00 O ATOM 999 CB ALA A 419 5.880 9.950 1.278 1.00 0.00 C ATOM 0 H ALA A 419 5.899 10.020 4.463 1.00 0.00 H new ATOM 0 HA ALA A 419 7.633 9.389 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 419 6.435 10.391 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 419 5.628 8.917 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 419 4.964 10.517 1.444 1.00 0.00 H new ATOM 1005 N LYS A 420 6.219 12.217 3.336 1.00 0.00 N ATOM 1006 CA LYS A 420 6.483 13.608 3.670 1.00 0.00 C ATOM 1007 C LYS A 420 7.144 14.333 2.500 1.00 0.00 C ATOM 1008 O LYS A 420 8.084 15.107 2.682 1.00 0.00 O ATOM 1009 CB LYS A 420 7.366 13.692 4.913 1.00 0.00 C ATOM 1010 CG LYS A 420 7.276 15.033 5.611 1.00 0.00 C ATOM 1011 CD LYS A 420 8.191 15.115 6.828 1.00 0.00 C ATOM 1012 CE LYS A 420 7.721 14.214 7.963 1.00 0.00 C ATOM 1013 NZ LYS A 420 7.833 12.767 7.624 1.00 0.00 N ATOM 0 H LYS A 420 5.259 11.920 3.513 1.00 0.00 H new ATOM 0 HA LYS A 420 5.531 14.097 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 420 7.079 12.905 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 420 8.402 13.504 4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 420 7.538 15.824 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 420 6.246 15.210 5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 420 9.204 14.834 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 420 8.234 16.146 7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 420 8.311 14.422 8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 420 6.684 14.449 8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 8.137 12.236 8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 6.908 12.412 7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 8.532 12.642 6.864 1.00 0.00 H new ATOM 1027 N ASP A 421 6.646 14.071 1.294 1.00 0.00 N ATOM 1028 CA ASP A 421 7.185 14.690 0.088 1.00 0.00 C ATOM 1029 C ASP A 421 6.931 16.194 0.078 1.00 0.00 C ATOM 1030 O ASP A 421 7.818 16.980 -0.260 1.00 0.00 O ATOM 1031 CB ASP A 421 6.572 14.048 -1.157 1.00 0.00 C ATOM 1032 CG ASP A 421 6.836 12.557 -1.229 1.00 0.00 C ATOM 1033 OD1 ASP A 421 8.022 12.164 -1.244 1.00 0.00 O ATOM 1034 OD2 ASP A 421 5.859 11.781 -1.272 1.00 0.00 O ATOM 0 H ASP A 421 5.868 13.433 1.127 1.00 0.00 H new ATOM 0 HA ASP A 421 8.263 14.527 0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 421 5.496 14.224 -1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 421 6.977 14.529 -2.047 1.00 0.00 H new ATOM 1039 N GLY A 422 5.713 16.588 0.443 1.00 0.00 N ATOM 1040 CA GLY A 422 5.362 17.997 0.463 1.00 0.00 C ATOM 1041 C GLY A 422 6.294 18.819 1.333 1.00 0.00 C ATOM 1042 O GLY A 422 6.559 18.459 2.481 1.00 0.00 O ATOM 0 H GLY A 422 4.964 15.956 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 422 5.383 18.387 -0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 422 4.340 18.108 0.826 1.00 0.00 H new ATOM 1046 N LYS A 423 6.789 19.925 0.783 1.00 0.00 N ATOM 1047 CA LYS A 423 7.699 20.806 1.508 1.00 0.00 C ATOM 1048 C LYS A 423 8.045 22.039 0.678 1.00 0.00 C ATOM 1049 O LYS A 423 8.379 21.930 -0.502 1.00 0.00 O ATOM 1050 CB LYS A 423 8.980 20.056 1.882 1.00 0.00 C ATOM 1051 CG LYS A 423 10.044 20.943 2.509 1.00 0.00 C ATOM 1052 CD LYS A 423 11.284 20.148 2.882 1.00 0.00 C ATOM 1053 CE LYS A 423 12.402 21.059 3.363 1.00 0.00 C ATOM 1054 NZ LYS A 423 11.970 21.911 4.505 1.00 0.00 N ATOM 0 H LYS A 423 6.574 20.233 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 423 7.196 21.133 2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 423 8.732 19.254 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.391 19.587 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 423 10.315 21.736 1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 423 9.639 21.425 3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 423 11.036 19.430 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 423 11.625 19.576 2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 423 13.258 20.455 3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 423 12.732 21.694 2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 12.800 22.378 4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 11.301 22.632 4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 11.507 21.319 5.224 1.00 0.00 H new ATOM 1068 N THR A 424 7.971 23.209 1.308 1.00 0.00 N ATOM 1069 CA THR A 424 8.283 24.467 0.638 1.00 0.00 C ATOM 1070 C THR A 424 7.437 24.642 -0.622 1.00 0.00 C ATOM 1071 O THR A 424 7.965 24.738 -1.731 1.00 0.00 O ATOM 1072 CB THR A 424 9.780 24.552 0.272 1.00 0.00 C ATOM 1073 OG1 THR A 424 10.580 24.235 1.417 1.00 0.00 O ATOM 1074 CG2 THR A 424 10.141 25.945 -0.224 1.00 0.00 C ATOM 0 H THR A 424 7.697 23.311 2.285 1.00 0.00 H new ATOM 0 HA THR A 424 8.048 25.270 1.337 1.00 0.00 H new ATOM 0 HB THR A 424 9.975 23.835 -0.526 1.00 0.00 H new ATOM 0 HG1 THR A 424 11.529 24.289 1.178 1.00 0.00 H new ATOM 0 HG21 THR A 424 11.201 25.978 -0.475 1.00 0.00 H new ATOM 0 HG22 THR A 424 9.551 26.180 -1.110 1.00 0.00 H new ATOM 0 HG23 THR A 424 9.930 26.675 0.557 1.00 0.00 H new ATOM 1082 N GLY A 425 6.119 24.673 -0.440 1.00 0.00 N ATOM 1083 CA GLY A 425 5.211 24.834 -1.564 1.00 0.00 C ATOM 1084 C GLY A 425 5.159 26.262 -2.078 1.00 0.00 C ATOM 1085 O GLY A 425 4.080 26.842 -2.203 1.00 0.00 O ATOM 0 H GLY A 425 5.662 24.589 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 425 5.521 24.172 -2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 425 4.210 24.524 -1.264 1.00 0.00 H new ATOM 1089 N ASN A 426 6.326 26.829 -2.375 1.00 0.00 N ATOM 1090 CA ASN A 426 6.412 28.195 -2.875 1.00 0.00 C ATOM 1091 C ASN A 426 7.817 28.493 -3.390 1.00 0.00 C ATOM 1092 O ASN A 426 8.810 28.142 -2.752 1.00 0.00 O ATOM 1093 CB ASN A 426 6.042 29.189 -1.773 1.00 0.00 C ATOM 1094 CG ASN A 426 6.947 29.072 -0.563 1.00 0.00 C ATOM 1095 OD1 ASN A 426 7.041 28.013 0.056 1.00 0.00 O ATOM 1096 ND2 ASN A 426 7.618 30.165 -0.216 1.00 0.00 N ATOM 0 H ASN A 426 7.227 26.360 -2.277 1.00 0.00 H new ATOM 0 HA ASN A 426 5.708 28.300 -3.700 1.00 0.00 H new ATOM 0 HB2 ASN A 426 6.098 30.203 -2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 426 5.009 29.022 -1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 426 8.240 30.146 0.592 1.00 0.00 H new ATOM 0 HD22 ASN A 426 7.511 31.023 -0.757 1.00 0.00 H new ATOM 1103 N THR A 427 7.892 29.140 -4.548 1.00 0.00 N ATOM 1104 CA THR A 427 9.175 29.484 -5.150 1.00 0.00 C ATOM 1105 C THR A 427 9.977 30.412 -4.244 1.00 0.00 C ATOM 1106 O THR A 427 11.149 30.161 -3.965 1.00 0.00 O ATOM 1107 CB THR A 427 8.986 30.156 -6.521 1.00 0.00 C ATOM 1108 OG1 THR A 427 8.199 31.346 -6.381 1.00 0.00 O ATOM 1109 CG2 THR A 427 8.310 29.208 -7.500 1.00 0.00 C ATOM 0 H THR A 427 7.079 29.437 -5.089 1.00 0.00 H new ATOM 0 HA THR A 427 9.724 28.552 -5.283 1.00 0.00 H new ATOM 0 HB THR A 427 9.970 30.416 -6.911 1.00 0.00 H new ATOM 0 HG1 THR A 427 7.937 31.671 -7.268 1.00 0.00 H new ATOM 0 HG21 THR A 427 8.187 29.705 -8.462 1.00 0.00 H new ATOM 0 HG22 THR A 427 8.925 28.317 -7.628 1.00 0.00 H new ATOM 0 HG23 THR A 427 7.332 28.921 -7.112 1.00 0.00 H new ATOM 1117 N ASN A 428 9.334 31.491 -3.798 1.00 0.00 N ATOM 1118 CA ASN A 428 9.976 32.474 -2.929 1.00 0.00 C ATOM 1119 C ASN A 428 11.067 33.205 -3.703 1.00 0.00 C ATOM 1120 O ASN A 428 10.831 33.648 -4.826 1.00 0.00 O ATOM 1121 CB ASN A 428 10.542 31.799 -1.672 1.00 0.00 C ATOM 1122 CG ASN A 428 10.980 32.800 -0.619 1.00 0.00 C ATOM 1123 OD1 ASN A 428 12.251 32.741 -0.238 1.00 0.00 O flip ATOM 1124 ND2 ASN A 428 10.185 33.616 -0.154 1.00 0.00 N flip ATOM 0 H ASN A 428 8.363 31.706 -4.027 1.00 0.00 H new ATOM 0 HA ASN A 428 9.234 33.203 -2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 428 9.786 31.138 -1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 428 11.391 31.175 -1.950 1.00 0.00 H new ATOM 0 HD21 ASN A 428 9.217 33.626 -0.476 1.00 0.00 H new ATOM 0 HD22 ASN A 428 10.494 34.283 0.553 1.00 0.00 H new ATOM 1131 N THR A 429 12.261 33.331 -3.126 1.00 0.00 N ATOM 1132 CA THR A 429 13.339 34.009 -3.825 1.00 0.00 C ATOM 1133 C THR A 429 13.696 33.240 -5.088 1.00 0.00 C ATOM 1134 O THR A 429 14.303 32.171 -5.022 1.00 0.00 O ATOM 1135 CB THR A 429 14.593 34.144 -2.939 1.00 0.00 C ATOM 1136 OG1 THR A 429 15.070 32.846 -2.560 1.00 0.00 O ATOM 1137 CG2 THR A 429 14.291 34.958 -1.690 1.00 0.00 C ATOM 0 H THR A 429 12.499 32.980 -2.198 1.00 0.00 H new ATOM 0 HA THR A 429 12.992 35.010 -4.080 1.00 0.00 H new ATOM 0 HB THR A 429 15.360 34.661 -3.516 1.00 0.00 H new ATOM 0 HG1 THR A 429 15.003 32.237 -3.325 1.00 0.00 H new ATOM 0 HG21 THR A 429 15.192 35.039 -1.082 1.00 0.00 H new ATOM 0 HG22 THR A 429 13.957 35.955 -1.977 1.00 0.00 H new ATOM 0 HG23 THR A 429 13.508 34.465 -1.115 1.00 0.00 H new ATOM 1145 N THR A 430 13.311 33.811 -6.233 1.00 0.00 N ATOM 1146 CA THR A 430 13.558 33.228 -7.554 1.00 0.00 C ATOM 1147 C THR A 430 12.498 33.702 -8.544 1.00 0.00 C ATOM 1148 O THR A 430 12.815 34.078 -9.673 1.00 0.00 O ATOM 1149 CB THR A 430 13.571 31.681 -7.547 1.00 0.00 C ATOM 1150 OG1 THR A 430 13.826 31.189 -8.867 1.00 0.00 O ATOM 1151 CG2 THR A 430 12.251 31.117 -7.041 1.00 0.00 C ATOM 0 H THR A 430 12.814 34.701 -6.269 1.00 0.00 H new ATOM 0 HA THR A 430 14.550 33.566 -7.853 1.00 0.00 H new ATOM 0 HB THR A 430 14.363 31.357 -6.872 1.00 0.00 H new ATOM 0 HG1 THR A 430 13.834 30.209 -8.855 1.00 0.00 H new ATOM 0 HG21 THR A 430 12.294 30.028 -7.049 1.00 0.00 H new ATOM 0 HG22 THR A 430 12.072 31.466 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 430 11.440 31.453 -7.687 1.00 0.00 H new ATOM 1159 N GLY A 431 11.234 33.678 -8.114 1.00 0.00 N ATOM 1160 CA GLY A 431 10.150 34.105 -8.981 1.00 0.00 C ATOM 1161 C GLY A 431 8.803 34.089 -8.287 1.00 0.00 C ATOM 1162 O GLY A 431 7.857 33.467 -8.772 1.00 0.00 O ATOM 0 H GLY A 431 10.946 33.372 -7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 431 10.355 35.112 -9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 431 10.111 33.454 -9.855 1.00 0.00 H new ATOM 1166 N SER A 432 8.715 34.770 -7.148 1.00 0.00 N ATOM 1167 CA SER A 432 7.472 34.830 -6.385 1.00 0.00 C ATOM 1168 C SER A 432 6.333 35.367 -7.244 1.00 0.00 C ATOM 1169 O SER A 432 6.490 36.366 -7.948 1.00 0.00 O ATOM 1170 CB SER A 432 7.651 35.714 -5.149 1.00 0.00 C ATOM 1171 OG SER A 432 8.678 35.217 -4.310 1.00 0.00 O ATOM 0 H SER A 432 9.490 35.288 -6.733 1.00 0.00 H new ATOM 0 HA SER A 432 7.220 33.818 -6.068 1.00 0.00 H new ATOM 0 HB2 SER A 432 7.890 36.732 -5.458 1.00 0.00 H new ATOM 0 HB3 SER A 432 6.714 35.761 -4.593 1.00 0.00 H new ATOM 0 HG SER A 432 9.290 34.661 -4.836 1.00 0.00 H new ATOM 1177 N SER A 433 5.187 34.697 -7.184 1.00 0.00 N ATOM 1178 CA SER A 433 4.018 35.104 -7.957 1.00 0.00 C ATOM 1179 C SER A 433 3.521 36.475 -7.511 1.00 0.00 C ATOM 1180 O SER A 433 3.226 36.634 -6.307 1.00 0.00 O ATOM 1181 CB SER A 433 2.900 34.071 -7.814 1.00 0.00 C ATOM 1182 OG SER A 433 1.775 34.424 -8.600 1.00 0.00 O ATOM 1183 OXT SER A 433 3.428 37.378 -8.369 1.00 0.00 O ATOM 0 H SER A 433 5.042 33.868 -6.607 1.00 0.00 H new ATOM 0 HA SER A 433 4.311 35.168 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 433 3.266 33.090 -8.117 1.00 0.00 H new ATOM 0 HB3 SER A 433 2.606 33.992 -6.767 1.00 0.00 H new ATOM 0 HG SER A 433 1.075 33.747 -8.492 1.00 0.00 H new TER 1189 SER A 433