USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 438 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 Single : A 1 ASN : amide:sc= -0.0614 X(o=-0.061,f=-0.089) USER MOD Single : A 1 ASN N :NH3+ 180:sc= -0.435 (180deg=-0.435) USER MOD Single : A 8 GLN : amide:sc= 0.616 K(o=0.62,f=-0.3) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 11 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.3) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 15 SER OG : rot -142:sc= 0.367 USER MOD Single : A 16 SER OG : rot -41:sc= 0.767 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -129:sc= 0.087 USER MOD Single : A 23 THR OG1 : rot -122:sc= -1.89 USER MOD Single : A 25 ASN :FLIP amide:sc= 0.257 F(o=-1.9!,f=0.26) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= -0.0555 (180deg=-0.381) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0248 (180deg=-0.261) USER MOD Single : A 35 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.8) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 42 SER OG : rot 41:sc= 0.907 USER MOD Single : A 44 THR OG1 : rot -19:sc= -0.347 USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -0.049 (180deg=-0.49) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0961 USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.0389 (180deg=-0.396) USER MOD Single : A 51 SER OG : rot 120:sc= 0.406 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.702 K(o=-0.7,f=-2.4) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -138:sc= -2.86! (180deg=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 35.050 14.270 -10.660 1.00 0.00 N ATOM 2 CA ASN A 1 35.778 13.777 -9.454 1.00 0.00 C ATOM 3 C ASN A 1 37.036 14.629 -9.203 1.00 0.00 C ATOM 4 O ASN A 1 37.944 14.214 -8.508 1.00 0.00 O ATOM 5 CB ASN A 1 36.178 12.301 -9.663 1.00 0.00 C ATOM 6 CG ASN A 1 34.912 11.460 -9.869 1.00 0.00 C ATOM 7 OD1 ASN A 1 34.478 11.227 -10.979 1.00 0.00 O ATOM 8 ND2 ASN A 1 34.290 10.988 -8.823 1.00 0.00 N ATOM 0 H1 ASN A 1 34.204 13.686 -10.817 1.00 0.00 H new ATOM 0 H2 ASN A 1 34.766 15.260 -10.513 1.00 0.00 H new ATOM 0 H3 ASN A 1 35.673 14.208 -11.491 1.00 0.00 H new ATOM 0 HA ASN A 1 35.124 13.858 -8.586 1.00 0.00 H new ATOM 0 HB2 ASN A 1 36.835 12.209 -10.528 1.00 0.00 H new ATOM 0 HB3 ASN A 1 36.735 11.937 -8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.446 10.428 -8.941 1.00 0.00 H new ATOM 0 HD22 ASN A 1 34.648 11.179 -7.887 1.00 0.00 H new ATOM 17 N PHE A 2 37.045 15.805 -9.781 1.00 0.00 N ATOM 18 CA PHE A 2 38.200 16.750 -9.632 1.00 0.00 C ATOM 19 C PHE A 2 38.090 17.579 -8.342 1.00 0.00 C ATOM 20 O PHE A 2 38.681 18.635 -8.214 1.00 0.00 O ATOM 21 CB PHE A 2 38.230 17.673 -10.880 1.00 0.00 C ATOM 22 CG PHE A 2 36.905 18.456 -10.995 1.00 0.00 C ATOM 23 CD1 PHE A 2 35.816 17.899 -11.645 1.00 0.00 C ATOM 24 CD2 PHE A 2 36.781 19.723 -10.451 1.00 0.00 C ATOM 25 CE1 PHE A 2 34.629 18.594 -11.746 1.00 0.00 C ATOM 26 CE2 PHE A 2 35.594 20.417 -10.553 1.00 0.00 C ATOM 27 CZ PHE A 2 34.516 19.853 -11.200 1.00 0.00 C ATOM 0 H PHE A 2 36.285 16.158 -10.362 1.00 0.00 H new ATOM 0 HA PHE A 2 39.127 16.182 -9.560 1.00 0.00 H new ATOM 0 HB2 PHE A 2 39.067 18.368 -10.807 1.00 0.00 H new ATOM 0 HB3 PHE A 2 38.388 17.077 -11.779 1.00 0.00 H new ATOM 0 HD1 PHE A 2 35.897 16.912 -12.076 1.00 0.00 H new ATOM 0 HD2 PHE A 2 37.621 20.172 -9.942 1.00 0.00 H new ATOM 0 HE1 PHE A 2 33.786 18.150 -12.255 1.00 0.00 H new ATOM 0 HE2 PHE A 2 35.509 21.405 -10.125 1.00 0.00 H new ATOM 0 HZ PHE A 2 33.586 20.396 -11.279 1.00 0.00 H new ATOM 37 N VAL A 3 37.327 17.046 -7.427 1.00 0.00 N ATOM 38 CA VAL A 3 37.092 17.702 -6.105 1.00 0.00 C ATOM 39 C VAL A 3 37.903 16.967 -5.029 1.00 0.00 C ATOM 40 O VAL A 3 38.092 15.768 -5.101 1.00 0.00 O ATOM 41 CB VAL A 3 35.571 17.644 -5.792 1.00 0.00 C ATOM 42 CG1 VAL A 3 35.269 18.327 -4.436 1.00 0.00 C ATOM 43 CG2 VAL A 3 34.785 18.374 -6.908 1.00 0.00 C ATOM 0 H VAL A 3 36.842 16.156 -7.543 1.00 0.00 H new ATOM 0 HA VAL A 3 37.412 18.744 -6.124 1.00 0.00 H new ATOM 0 HB VAL A 3 35.267 16.598 -5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 3 34.199 18.277 -4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 3 35.813 17.816 -3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 3 35.582 19.370 -4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 3 33.718 18.333 -6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 3 35.106 19.415 -6.958 1.00 0.00 H new ATOM 0 HG23 VAL A 3 34.977 17.889 -7.865 1.00 0.00 H new ATOM 53 N CYS A 4 38.351 17.731 -4.065 1.00 0.00 N ATOM 54 CA CYS A 4 39.159 17.185 -2.932 1.00 0.00 C ATOM 55 C CYS A 4 38.918 17.861 -1.580 1.00 0.00 C ATOM 56 O CYS A 4 38.299 18.906 -1.517 1.00 0.00 O ATOM 57 CB CYS A 4 40.644 17.290 -3.311 1.00 0.00 C ATOM 58 SG CYS A 4 41.242 15.989 -4.411 1.00 0.00 S ATOM 0 H CYS A 4 38.186 18.736 -4.015 1.00 0.00 H new ATOM 0 HA CYS A 4 38.842 16.152 -2.789 1.00 0.00 H new ATOM 0 HB2 CYS A 4 40.815 18.255 -3.787 1.00 0.00 H new ATOM 0 HB3 CYS A 4 41.239 17.275 -2.398 1.00 0.00 H new ATOM 63 N PRO A 5 39.418 17.237 -0.529 1.00 0.00 N ATOM 64 CA PRO A 5 39.084 17.652 0.844 1.00 0.00 C ATOM 65 C PRO A 5 39.731 18.999 1.219 1.00 0.00 C ATOM 66 O PRO A 5 40.522 19.500 0.446 1.00 0.00 O ATOM 67 CB PRO A 5 39.619 16.512 1.738 1.00 0.00 C ATOM 68 CG PRO A 5 40.274 15.507 0.844 1.00 0.00 C ATOM 69 CD PRO A 5 40.355 16.086 -0.538 1.00 0.00 C ATOM 0 HA PRO A 5 38.012 17.809 0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.332 16.899 2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 5 38.806 16.052 2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.271 15.264 1.213 1.00 0.00 H new ATOM 0 HG3 PRO A 5 39.703 14.579 0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.370 16.406 -0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 5 40.070 15.351 -1.291 1.00 0.00 H new ATOM 77 N PRO A 6 39.383 19.543 2.364 1.00 0.00 N ATOM 78 CA PRO A 6 39.914 20.822 2.889 1.00 0.00 C ATOM 79 C PRO A 6 41.420 21.050 2.654 1.00 0.00 C ATOM 80 O PRO A 6 41.796 22.029 2.039 1.00 0.00 O ATOM 81 CB PRO A 6 39.616 20.723 4.409 1.00 0.00 C ATOM 82 CG PRO A 6 39.051 19.353 4.618 1.00 0.00 C ATOM 83 CD PRO A 6 38.412 19.002 3.332 1.00 0.00 C ATOM 0 HA PRO A 6 39.452 21.666 2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 6 40.523 20.867 4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 6 38.908 21.491 4.721 1.00 0.00 H new ATOM 0 HG2 PRO A 6 39.833 18.639 4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 6 38.328 19.345 5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 6 38.278 17.926 3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 6 37.428 19.459 3.225 1.00 0.00 H new ATOM 91 N GLY A 7 42.210 20.134 3.156 1.00 0.00 N ATOM 92 CA GLY A 7 43.701 20.215 3.016 1.00 0.00 C ATOM 93 C GLY A 7 44.216 20.315 1.570 1.00 0.00 C ATOM 94 O GLY A 7 45.361 20.663 1.357 1.00 0.00 O ATOM 0 H GLY A 7 41.879 19.316 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 7 44.056 21.082 3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 7 44.143 19.334 3.482 1.00 0.00 H new ATOM 98 N GLN A 8 43.363 20.009 0.627 1.00 0.00 N ATOM 99 CA GLN A 8 43.719 20.057 -0.820 1.00 0.00 C ATOM 100 C GLN A 8 42.769 21.013 -1.550 1.00 0.00 C ATOM 101 O GLN A 8 41.704 21.346 -1.066 1.00 0.00 O ATOM 102 CB GLN A 8 43.593 18.646 -1.409 1.00 0.00 C ATOM 103 CG GLN A 8 44.585 17.696 -0.715 1.00 0.00 C ATOM 104 CD GLN A 8 44.426 16.278 -1.277 1.00 0.00 C ATOM 105 OE1 GLN A 8 44.665 16.025 -2.442 1.00 0.00 O ATOM 106 NE2 GLN A 8 44.026 15.326 -0.480 1.00 0.00 N ATOM 0 H GLN A 8 42.402 19.718 0.809 1.00 0.00 H new ATOM 0 HA GLN A 8 44.742 20.414 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 8 42.575 18.279 -1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 8 43.790 18.671 -2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 8 45.606 18.046 -0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 8 44.408 17.693 0.361 1.00 0.00 H new ATOM 0 HE21 GLN A 8 43.824 15.531 0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 8 43.915 14.376 -0.835 1.00 0.00 H new ATOM 115 N THR A 9 43.210 21.423 -2.706 1.00 0.00 N ATOM 116 CA THR A 9 42.427 22.353 -3.568 1.00 0.00 C ATOM 117 C THR A 9 42.807 22.105 -5.029 1.00 0.00 C ATOM 118 O THR A 9 43.675 21.308 -5.333 1.00 0.00 O ATOM 119 CB THR A 9 42.756 23.806 -3.123 1.00 0.00 C ATOM 120 OG1 THR A 9 42.042 24.674 -3.991 1.00 0.00 O ATOM 121 CG2 THR A 9 44.244 24.161 -3.318 1.00 0.00 C ATOM 0 H THR A 9 44.108 21.143 -3.101 1.00 0.00 H new ATOM 0 HA THR A 9 41.354 22.191 -3.470 1.00 0.00 H new ATOM 0 HB THR A 9 42.498 23.902 -2.068 1.00 0.00 H new ATOM 0 HG1 THR A 9 42.221 25.605 -3.743 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.419 25.186 -2.992 1.00 0.00 H new ATOM 0 HG22 THR A 9 44.860 23.482 -2.728 1.00 0.00 H new ATOM 0 HG23 THR A 9 44.506 24.066 -4.372 1.00 0.00 H new ATOM 129 N PHE A 10 42.125 22.813 -5.886 1.00 0.00 N ATOM 130 CA PHE A 10 42.372 22.689 -7.354 1.00 0.00 C ATOM 131 C PHE A 10 43.793 23.211 -7.625 1.00 0.00 C ATOM 132 O PHE A 10 44.307 24.016 -6.873 1.00 0.00 O ATOM 133 CB PHE A 10 41.319 23.528 -8.090 1.00 0.00 C ATOM 134 CG PHE A 10 41.431 23.314 -9.608 1.00 0.00 C ATOM 135 CD1 PHE A 10 40.864 22.189 -10.182 1.00 0.00 C ATOM 136 CD2 PHE A 10 42.081 24.228 -10.418 1.00 0.00 C ATOM 137 CE1 PHE A 10 40.945 21.980 -11.541 1.00 0.00 C ATOM 138 CE2 PHE A 10 42.161 24.018 -11.779 1.00 0.00 C ATOM 139 CZ PHE A 10 41.592 22.894 -12.341 1.00 0.00 C ATOM 0 H PHE A 10 41.398 23.481 -5.630 1.00 0.00 H new ATOM 0 HA PHE A 10 42.295 21.659 -7.701 1.00 0.00 H new ATOM 0 HB2 PHE A 10 40.321 23.251 -7.750 1.00 0.00 H new ATOM 0 HB3 PHE A 10 41.455 24.583 -7.854 1.00 0.00 H new ATOM 0 HD1 PHE A 10 40.354 21.469 -9.559 1.00 0.00 H new ATOM 0 HD2 PHE A 10 42.528 25.110 -9.983 1.00 0.00 H new ATOM 0 HE1 PHE A 10 40.501 21.098 -11.979 1.00 0.00 H new ATOM 0 HE2 PHE A 10 42.670 24.735 -12.406 1.00 0.00 H new ATOM 0 HZ PHE A 10 41.654 22.732 -13.407 1.00 0.00 H new ATOM 149 N GLN A 11 44.381 22.737 -8.691 1.00 0.00 N ATOM 150 CA GLN A 11 45.767 23.166 -9.057 1.00 0.00 C ATOM 151 C GLN A 11 45.805 23.431 -10.559 1.00 0.00 C ATOM 152 O GLN A 11 44.932 22.997 -11.287 1.00 0.00 O ATOM 153 CB GLN A 11 46.787 22.048 -8.749 1.00 0.00 C ATOM 154 CG GLN A 11 46.720 21.543 -7.296 1.00 0.00 C ATOM 155 CD GLN A 11 47.043 22.630 -6.267 1.00 0.00 C ATOM 156 OE1 GLN A 11 47.888 23.480 -6.464 1.00 0.00 O ATOM 157 NE2 GLN A 11 46.384 22.624 -5.143 1.00 0.00 N ATOM 0 H GLN A 11 43.958 22.065 -9.331 1.00 0.00 H new ATOM 0 HA GLN A 11 46.023 24.056 -8.482 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.613 21.211 -9.425 1.00 0.00 H new ATOM 0 HB3 GLN A 11 47.792 22.418 -8.951 1.00 0.00 H new ATOM 0 HG2 GLN A 11 45.722 21.150 -7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 11 47.418 20.715 -7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 11 45.673 21.913 -4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 11 46.579 23.331 -4.434 1.00 0.00 H new ATOM 166 N THR A 12 46.825 24.140 -10.967 1.00 0.00 N ATOM 167 CA THR A 12 47.008 24.474 -12.410 1.00 0.00 C ATOM 168 C THR A 12 48.037 23.466 -12.930 1.00 0.00 C ATOM 169 O THR A 12 47.863 22.879 -13.980 1.00 0.00 O ATOM 170 CB THR A 12 47.532 25.929 -12.549 1.00 0.00 C ATOM 171 OG1 THR A 12 48.746 25.995 -11.809 1.00 0.00 O ATOM 172 CG2 THR A 12 46.595 26.930 -11.854 1.00 0.00 C ATOM 0 H THR A 12 47.550 24.507 -10.351 1.00 0.00 H new ATOM 0 HA THR A 12 46.077 24.416 -12.974 1.00 0.00 H new ATOM 0 HB THR A 12 47.626 26.168 -13.608 1.00 0.00 H new ATOM 0 HG1 THR A 12 49.117 26.900 -11.869 1.00 0.00 H new ATOM 0 HG21 THR A 12 46.990 27.939 -11.970 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.604 26.874 -12.305 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.525 26.687 -10.794 1.00 0.00 H new ATOM 180 N CYS A 13 49.083 23.305 -12.154 1.00 0.00 N ATOM 181 CA CYS A 13 50.170 22.357 -12.515 1.00 0.00 C ATOM 182 C CYS A 13 50.189 21.248 -11.475 1.00 0.00 C ATOM 183 O CYS A 13 50.615 21.443 -10.351 1.00 0.00 O ATOM 184 CB CYS A 13 51.540 23.032 -12.510 1.00 0.00 C ATOM 185 SG CYS A 13 52.868 21.880 -12.943 1.00 0.00 S ATOM 0 H CYS A 13 49.226 23.801 -11.274 1.00 0.00 H new ATOM 0 HA CYS A 13 49.977 21.979 -13.519 1.00 0.00 H new ATOM 0 HB2 CYS A 13 51.537 23.863 -13.216 1.00 0.00 H new ATOM 0 HB3 CYS A 13 51.733 23.453 -11.523 1.00 0.00 H new ATOM 190 N ALA A 14 49.715 20.108 -11.896 1.00 0.00 N ATOM 191 CA ALA A 14 49.671 18.936 -10.984 1.00 0.00 C ATOM 192 C ALA A 14 49.557 17.619 -11.742 1.00 0.00 C ATOM 193 O ALA A 14 48.594 17.403 -12.443 1.00 0.00 O ATOM 194 CB ALA A 14 48.478 19.159 -10.058 1.00 0.00 C ATOM 0 H ALA A 14 49.356 19.939 -12.836 1.00 0.00 H new ATOM 0 HA ALA A 14 50.599 18.857 -10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 14 48.396 18.324 -9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 14 48.619 20.084 -9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 14 47.566 19.228 -10.650 1.00 0.00 H new ATOM 200 N SER A 15 50.543 16.775 -11.578 1.00 0.00 N ATOM 201 CA SER A 15 50.553 15.447 -12.268 1.00 0.00 C ATOM 202 C SER A 15 49.521 14.527 -11.565 1.00 0.00 C ATOM 203 O SER A 15 48.445 14.965 -11.208 1.00 0.00 O ATOM 204 CB SER A 15 51.991 14.888 -12.163 1.00 0.00 C ATOM 205 OG SER A 15 52.037 13.718 -12.970 1.00 0.00 O ATOM 0 H SER A 15 51.355 16.952 -10.986 1.00 0.00 H new ATOM 0 HA SER A 15 50.277 15.519 -13.320 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.718 15.624 -12.507 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.240 14.654 -11.128 1.00 0.00 H new ATOM 0 HG SER A 15 52.590 13.039 -12.530 1.00 0.00 H new ATOM 211 N SER A 16 49.883 13.283 -11.391 1.00 0.00 N ATOM 212 CA SER A 16 49.003 12.279 -10.725 1.00 0.00 C ATOM 213 C SER A 16 49.900 11.528 -9.706 1.00 0.00 C ATOM 214 O SER A 16 49.573 10.456 -9.236 1.00 0.00 O ATOM 215 CB SER A 16 48.452 11.334 -11.809 1.00 0.00 C ATOM 216 OG SER A 16 47.578 10.458 -11.110 1.00 0.00 O ATOM 0 H SER A 16 50.783 12.910 -11.694 1.00 0.00 H new ATOM 0 HA SER A 16 48.153 12.724 -10.208 1.00 0.00 H new ATOM 0 HB2 SER A 16 47.922 11.887 -12.585 1.00 0.00 H new ATOM 0 HB3 SER A 16 49.254 10.784 -12.301 1.00 0.00 H new ATOM 0 HG SER A 16 47.985 10.204 -10.255 1.00 0.00 H new ATOM 222 N CYS A 17 51.016 12.155 -9.410 1.00 0.00 N ATOM 223 CA CYS A 17 52.046 11.635 -8.459 1.00 0.00 C ATOM 224 C CYS A 17 52.205 12.493 -7.180 1.00 0.00 C ATOM 225 O CYS A 17 53.169 13.221 -7.050 1.00 0.00 O ATOM 226 CB CYS A 17 53.360 11.533 -9.290 1.00 0.00 C ATOM 227 SG CYS A 17 53.804 12.872 -10.433 1.00 0.00 S ATOM 0 H CYS A 17 51.263 13.058 -9.815 1.00 0.00 H new ATOM 0 HA CYS A 17 51.748 10.665 -8.061 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.184 11.419 -8.585 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.308 10.612 -9.871 1.00 0.00 H new ATOM 232 N PRO A 18 51.257 12.377 -6.265 1.00 0.00 N ATOM 233 CA PRO A 18 51.173 13.248 -5.072 1.00 0.00 C ATOM 234 C PRO A 18 52.508 13.442 -4.341 1.00 0.00 C ATOM 235 O PRO A 18 53.243 12.497 -4.127 1.00 0.00 O ATOM 236 CB PRO A 18 50.140 12.566 -4.152 1.00 0.00 C ATOM 237 CG PRO A 18 49.782 11.282 -4.804 1.00 0.00 C ATOM 238 CD PRO A 18 50.147 11.401 -6.254 1.00 0.00 C ATOM 0 HA PRO A 18 50.886 14.257 -5.369 1.00 0.00 H new ATOM 0 HB2 PRO A 18 50.557 12.395 -3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 18 49.259 13.195 -4.023 1.00 0.00 H new ATOM 0 HG2 PRO A 18 50.317 10.453 -4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 18 48.717 11.078 -4.691 1.00 0.00 H new ATOM 0 HD2 PRO A 18 50.456 10.441 -6.668 1.00 0.00 H new ATOM 0 HD3 PRO A 18 49.304 11.749 -6.851 1.00 0.00 H new ATOM 246 N LYS A 19 52.746 14.680 -3.997 1.00 0.00 N ATOM 247 CA LYS A 19 53.988 15.088 -3.279 1.00 0.00 C ATOM 248 C LYS A 19 53.489 15.124 -1.839 1.00 0.00 C ATOM 249 O LYS A 19 52.430 15.663 -1.568 1.00 0.00 O ATOM 250 CB LYS A 19 54.403 16.488 -3.743 1.00 0.00 C ATOM 251 CG LYS A 19 55.878 16.757 -3.489 1.00 0.00 C ATOM 252 CD LYS A 19 56.785 16.151 -4.626 1.00 0.00 C ATOM 253 CE LYS A 19 56.577 14.656 -4.941 1.00 0.00 C ATOM 254 NZ LYS A 19 57.525 14.240 -6.011 1.00 0.00 N ATOM 0 H LYS A 19 52.107 15.451 -4.192 1.00 0.00 H new ATOM 0 HA LYS A 19 54.852 14.443 -3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.193 16.595 -4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 19 53.803 17.235 -3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 19 56.046 17.832 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 19 56.166 16.331 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 19 56.614 16.720 -5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 19 57.828 16.300 -4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 19 56.738 14.058 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 19 55.550 14.480 -5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 57.386 13.232 -6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 57.350 14.803 -6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 58.502 14.394 -5.689 1.00 0.00 H new ATOM 268 N THR A 20 54.262 14.552 -0.958 1.00 0.00 N ATOM 269 CA THR A 20 53.845 14.532 0.470 1.00 0.00 C ATOM 270 C THR A 20 54.963 15.025 1.391 1.00 0.00 C ATOM 271 O THR A 20 55.979 15.512 0.932 1.00 0.00 O ATOM 272 CB THR A 20 53.451 13.085 0.812 1.00 0.00 C ATOM 273 OG1 THR A 20 54.666 12.349 0.739 1.00 0.00 O ATOM 274 CG2 THR A 20 52.620 12.404 -0.325 1.00 0.00 C ATOM 0 H THR A 20 55.154 14.102 -1.162 1.00 0.00 H new ATOM 0 HA THR A 20 53.003 15.207 0.621 1.00 0.00 H new ATOM 0 HB THR A 20 52.905 13.096 1.755 1.00 0.00 H new ATOM 0 HG1 THR A 20 54.538 11.562 0.170 1.00 0.00 H new ATOM 0 HG21 THR A 20 52.369 11.385 -0.031 1.00 0.00 H new ATOM 0 HG22 THR A 20 51.704 12.969 -0.494 1.00 0.00 H new ATOM 0 HG23 THR A 20 53.208 12.383 -1.243 1.00 0.00 H new ATOM 282 N CYS A 21 54.724 14.877 2.673 1.00 0.00 N ATOM 283 CA CYS A 21 55.721 15.302 3.702 1.00 0.00 C ATOM 284 C CYS A 21 57.024 14.518 3.503 1.00 0.00 C ATOM 285 O CYS A 21 58.068 14.837 4.030 1.00 0.00 O ATOM 286 CB CYS A 21 55.143 15.029 5.072 1.00 0.00 C ATOM 287 SG CYS A 21 53.684 15.972 5.590 1.00 0.00 S ATOM 0 H CYS A 21 53.868 14.474 3.053 1.00 0.00 H new ATOM 0 HA CYS A 21 55.939 16.366 3.606 1.00 0.00 H new ATOM 0 HB2 CYS A 21 54.890 13.970 5.121 1.00 0.00 H new ATOM 0 HB3 CYS A 21 55.930 15.203 5.806 1.00 0.00 H new ATOM 292 N GLU A 22 56.909 13.475 2.738 1.00 0.00 N ATOM 293 CA GLU A 22 58.088 12.623 2.435 1.00 0.00 C ATOM 294 C GLU A 22 58.959 13.455 1.462 1.00 0.00 C ATOM 295 O GLU A 22 60.152 13.587 1.651 1.00 0.00 O ATOM 296 CB GLU A 22 57.606 11.355 1.771 1.00 0.00 C ATOM 297 CG GLU A 22 56.625 10.598 2.699 1.00 0.00 C ATOM 298 CD GLU A 22 56.107 9.337 1.983 1.00 0.00 C ATOM 299 OE1 GLU A 22 55.444 9.520 0.974 1.00 0.00 O ATOM 300 OE2 GLU A 22 56.400 8.261 2.479 1.00 0.00 O ATOM 0 H GLU A 22 56.037 13.172 2.303 1.00 0.00 H new ATOM 0 HA GLU A 22 58.654 12.344 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 22 57.113 11.595 0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 22 58.456 10.716 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 22 57.126 10.322 3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 22 55.790 11.245 2.968 1.00 0.00 H new ATOM 307 N THR A 23 58.310 13.988 0.449 1.00 0.00 N ATOM 308 CA THR A 23 58.981 14.827 -0.596 1.00 0.00 C ATOM 309 C THR A 23 58.657 16.303 -0.380 1.00 0.00 C ATOM 310 O THR A 23 57.947 16.933 -1.141 1.00 0.00 O ATOM 311 CB THR A 23 58.484 14.360 -1.957 1.00 0.00 C ATOM 312 OG1 THR A 23 57.067 14.435 -1.862 1.00 0.00 O ATOM 313 CG2 THR A 23 58.774 12.896 -2.144 1.00 0.00 C ATOM 0 H THR A 23 57.308 13.870 0.301 1.00 0.00 H new ATOM 0 HA THR A 23 60.064 14.717 -0.535 1.00 0.00 H new ATOM 0 HB THR A 23 58.939 14.946 -2.755 1.00 0.00 H new ATOM 0 HG1 THR A 23 56.680 13.553 -2.041 1.00 0.00 H new ATOM 0 HG21 THR A 23 58.413 12.576 -3.121 1.00 0.00 H new ATOM 0 HG22 THR A 23 59.849 12.727 -2.081 1.00 0.00 H new ATOM 0 HG23 THR A 23 58.270 12.323 -1.366 1.00 0.00 H new ATOM 321 N ARG A 24 59.209 16.812 0.682 1.00 0.00 N ATOM 322 CA ARG A 24 58.979 18.244 1.023 1.00 0.00 C ATOM 323 C ARG A 24 59.642 19.201 0.036 1.00 0.00 C ATOM 324 O ARG A 24 59.330 20.375 -0.017 1.00 0.00 O ATOM 325 CB ARG A 24 59.536 18.521 2.409 1.00 0.00 C ATOM 326 CG ARG A 24 58.787 17.636 3.400 1.00 0.00 C ATOM 327 CD ARG A 24 59.296 17.825 4.833 1.00 0.00 C ATOM 328 NE ARG A 24 58.491 16.919 5.712 1.00 0.00 N ATOM 329 CZ ARG A 24 58.515 17.032 7.017 1.00 0.00 C ATOM 330 NH1 ARG A 24 59.243 17.950 7.594 1.00 0.00 N ATOM 331 NH2 ARG A 24 57.793 16.203 7.719 1.00 0.00 N ATOM 0 H ARG A 24 59.809 16.301 1.329 1.00 0.00 H new ATOM 0 HA ARG A 24 57.903 18.415 0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 24 60.605 18.309 2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 24 59.412 19.573 2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 24 57.722 17.866 3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 24 58.898 16.591 3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 24 60.357 17.583 4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 24 59.186 18.863 5.147 1.00 0.00 H new ATOM 0 HE ARG A 24 57.911 16.197 5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 24 59.801 18.589 7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 24 59.253 18.028 8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 24 57.231 15.493 7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 24 57.790 16.265 8.737 1.00 0.00 H new ATOM 345 N ASN A 25 60.543 18.629 -0.710 1.00 0.00 N ATOM 346 CA ASN A 25 61.328 19.354 -1.740 1.00 0.00 C ATOM 347 C ASN A 25 60.438 20.187 -2.678 1.00 0.00 C ATOM 348 O ASN A 25 60.843 21.231 -3.153 1.00 0.00 O ATOM 349 CB ASN A 25 62.120 18.288 -2.500 1.00 0.00 C ATOM 350 CG ASN A 25 63.040 17.532 -1.531 1.00 0.00 C ATOM 351 OD1 ASN A 25 62.546 16.546 -0.831 1.00 0.00 O flip ATOM 352 ND2 ASN A 25 64.210 17.832 -1.401 1.00 0.00 N flip ATOM 0 H ASN A 25 60.776 17.638 -0.641 1.00 0.00 H new ATOM 0 HA ASN A 25 61.994 20.081 -1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.436 17.591 -2.985 1.00 0.00 H new ATOM 0 HB3 ASN A 25 62.711 18.754 -3.288 1.00 0.00 H new ATOM 0 HD21 ASN A 25 64.603 18.601 -1.944 1.00 0.00 H new ATOM 0 HD22 ASN A 25 64.800 17.315 -0.749 1.00 0.00 H new ATOM 359 N LYS A 26 59.251 19.685 -2.907 1.00 0.00 N ATOM 360 CA LYS A 26 58.251 20.349 -3.785 1.00 0.00 C ATOM 361 C LYS A 26 56.998 20.536 -2.916 1.00 0.00 C ATOM 362 O LYS A 26 56.693 19.708 -2.079 1.00 0.00 O ATOM 363 CB LYS A 26 57.896 19.459 -5.003 1.00 0.00 C ATOM 364 CG LYS A 26 59.059 19.156 -5.985 1.00 0.00 C ATOM 365 CD LYS A 26 60.171 18.274 -5.380 1.00 0.00 C ATOM 366 CE LYS A 26 61.219 17.949 -6.459 1.00 0.00 C ATOM 367 NZ LYS A 26 61.843 19.202 -6.971 1.00 0.00 N ATOM 0 H LYS A 26 58.926 18.807 -2.503 1.00 0.00 H new ATOM 0 HA LYS A 26 58.641 21.290 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 26 57.502 18.512 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 26 57.093 19.942 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 26 58.656 18.661 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 26 59.496 20.098 -6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 26 60.643 18.790 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 26 59.743 17.352 -4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 26 61.987 17.296 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 26 60.749 17.407 -7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 62.708 18.968 -7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 61.175 19.691 -7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 62.082 19.823 -6.171 1.00 0.00 H new ATOM 381 N LEU A 27 56.323 21.627 -3.153 1.00 0.00 N ATOM 382 CA LEU A 27 55.072 21.972 -2.392 1.00 0.00 C ATOM 383 C LEU A 27 53.851 22.078 -3.333 1.00 0.00 C ATOM 384 O LEU A 27 53.069 23.011 -3.302 1.00 0.00 O ATOM 385 CB LEU A 27 55.313 23.304 -1.671 1.00 0.00 C ATOM 386 CG LEU A 27 56.579 23.244 -0.753 1.00 0.00 C ATOM 387 CD1 LEU A 27 56.786 24.604 -0.058 1.00 0.00 C ATOM 388 CD2 LEU A 27 56.442 22.155 0.330 1.00 0.00 C ATOM 0 H LEU A 27 56.587 22.315 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 27 54.851 21.183 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 27 55.434 24.099 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.439 23.556 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 27 57.433 23.004 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 27 57.669 24.556 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 27 56.924 25.380 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 27 55.912 24.839 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 27 57.339 22.142 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.574 22.369 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 27 56.315 21.183 -0.146 1.00 0.00 H new ATOM 400 N VAL A 28 53.764 21.063 -4.144 1.00 0.00 N ATOM 401 CA VAL A 28 52.685 20.884 -5.176 1.00 0.00 C ATOM 402 C VAL A 28 52.228 19.436 -5.152 1.00 0.00 C ATOM 403 O VAL A 28 52.587 18.678 -4.275 1.00 0.00 O ATOM 404 CB VAL A 28 53.248 21.249 -6.590 1.00 0.00 C ATOM 405 CG1 VAL A 28 53.611 22.749 -6.630 1.00 0.00 C ATOM 406 CG2 VAL A 28 54.532 20.438 -6.873 1.00 0.00 C ATOM 0 H VAL A 28 54.439 20.298 -4.137 1.00 0.00 H new ATOM 0 HA VAL A 28 51.841 21.538 -4.957 1.00 0.00 H new ATOM 0 HB VAL A 28 52.488 21.019 -7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 28 54.003 23.002 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 28 52.720 23.344 -6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 28 54.366 22.961 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 28 54.917 20.698 -7.859 1.00 0.00 H new ATOM 0 HG22 VAL A 28 55.283 20.670 -6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 28 54.304 19.373 -6.842 1.00 0.00 H new ATOM 416 N LEU A 29 51.431 19.104 -6.127 1.00 0.00 N ATOM 417 CA LEU A 29 50.906 17.719 -6.248 1.00 0.00 C ATOM 418 C LEU A 29 52.088 16.889 -6.726 1.00 0.00 C ATOM 419 O LEU A 29 52.345 15.805 -6.250 1.00 0.00 O ATOM 420 CB LEU A 29 49.748 17.798 -7.244 1.00 0.00 C ATOM 421 CG LEU A 29 49.034 16.431 -7.619 1.00 0.00 C ATOM 422 CD1 LEU A 29 49.941 15.421 -8.357 1.00 0.00 C ATOM 423 CD2 LEU A 29 48.482 15.747 -6.353 1.00 0.00 C ATOM 0 H LEU A 29 51.117 19.745 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 29 50.520 17.266 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 29 48.996 18.474 -6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 29 50.120 18.250 -8.163 1.00 0.00 H new ATOM 0 HG LEU A 29 48.233 16.710 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 29 49.375 14.516 -8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.294 15.862 -9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 29 50.795 15.172 -7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 29 47.996 14.811 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 29 49.301 15.542 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 29 47.758 16.404 -5.871 1.00 0.00 H new ATOM 435 N CYS A 30 52.777 17.462 -7.667 1.00 0.00 N ATOM 436 CA CYS A 30 53.980 16.801 -8.261 1.00 0.00 C ATOM 437 C CYS A 30 54.628 17.781 -9.253 1.00 0.00 C ATOM 438 O CYS A 30 54.046 18.794 -9.593 1.00 0.00 O ATOM 439 CB CYS A 30 53.545 15.533 -8.994 1.00 0.00 C ATOM 440 SG CYS A 30 54.819 14.349 -9.498 1.00 0.00 S ATOM 0 H CYS A 30 52.558 18.377 -8.061 1.00 0.00 H new ATOM 0 HA CYS A 30 54.694 16.534 -7.482 1.00 0.00 H new ATOM 0 HB2 CYS A 30 52.837 15.006 -8.354 1.00 0.00 H new ATOM 0 HB3 CYS A 30 53.002 15.837 -9.889 1.00 0.00 H new ATOM 445 N ASP A 31 55.816 17.442 -9.688 1.00 0.00 N ATOM 446 CA ASP A 31 56.572 18.301 -10.658 1.00 0.00 C ATOM 447 C ASP A 31 56.706 17.613 -12.032 1.00 0.00 C ATOM 448 O ASP A 31 57.069 18.247 -13.005 1.00 0.00 O ATOM 449 CB ASP A 31 57.958 18.580 -10.041 1.00 0.00 C ATOM 450 CG ASP A 31 58.793 19.482 -10.970 1.00 0.00 C ATOM 451 OD1 ASP A 31 58.544 20.676 -10.935 1.00 0.00 O ATOM 452 OD2 ASP A 31 59.631 18.925 -11.662 1.00 0.00 O ATOM 0 H ASP A 31 56.304 16.591 -9.408 1.00 0.00 H new ATOM 0 HA ASP A 31 56.036 19.234 -10.832 1.00 0.00 H new ATOM 0 HB2 ASP A 31 57.840 19.060 -9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 31 58.482 17.640 -9.871 1.00 0.00 H new ATOM 457 N LYS A 32 56.405 16.340 -12.068 1.00 0.00 N ATOM 458 CA LYS A 32 56.496 15.548 -13.338 1.00 0.00 C ATOM 459 C LYS A 32 55.495 15.974 -14.428 1.00 0.00 C ATOM 460 O LYS A 32 55.730 15.719 -15.595 1.00 0.00 O ATOM 461 CB LYS A 32 56.276 14.060 -13.003 1.00 0.00 C ATOM 462 CG LYS A 32 57.361 13.582 -12.010 1.00 0.00 C ATOM 463 CD LYS A 32 57.139 12.091 -11.686 1.00 0.00 C ATOM 464 CE LYS A 32 58.210 11.619 -10.689 1.00 0.00 C ATOM 465 NZ LYS A 32 57.998 10.180 -10.367 1.00 0.00 N ATOM 0 H LYS A 32 56.094 15.804 -11.258 1.00 0.00 H new ATOM 0 HA LYS A 32 57.487 15.735 -13.752 1.00 0.00 H new ATOM 0 HB2 LYS A 32 55.286 13.917 -12.570 1.00 0.00 H new ATOM 0 HB3 LYS A 32 56.315 13.463 -13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 32 58.352 13.728 -12.439 1.00 0.00 H new ATOM 0 HG3 LYS A 32 57.319 14.174 -11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 32 56.144 11.943 -11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 32 57.190 11.498 -12.599 1.00 0.00 H new ATOM 0 HE2 LYS A 32 59.204 11.764 -11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 32 58.161 12.216 -9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 58.724 9.865 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 57.056 10.054 -9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 58.066 9.616 -11.238 1.00 0.00 H new ATOM 479 N LYS A 33 54.418 16.607 -14.032 1.00 0.00 N ATOM 480 CA LYS A 33 53.384 17.058 -15.024 1.00 0.00 C ATOM 481 C LYS A 33 52.477 18.147 -14.443 1.00 0.00 C ATOM 482 O LYS A 33 52.308 18.253 -13.244 1.00 0.00 O ATOM 483 CB LYS A 33 52.532 15.833 -15.442 1.00 0.00 C ATOM 484 CG LYS A 33 51.394 16.195 -16.425 1.00 0.00 C ATOM 485 CD LYS A 33 51.922 16.737 -17.785 1.00 0.00 C ATOM 486 CE LYS A 33 52.792 15.688 -18.508 1.00 0.00 C ATOM 487 NZ LYS A 33 52.007 14.445 -18.757 1.00 0.00 N ATOM 0 H LYS A 33 54.207 16.833 -13.060 1.00 0.00 H new ATOM 0 HA LYS A 33 53.893 17.484 -15.888 1.00 0.00 H new ATOM 0 HB2 LYS A 33 53.180 15.087 -15.903 1.00 0.00 H new ATOM 0 HB3 LYS A 33 52.103 15.375 -14.551 1.00 0.00 H new ATOM 0 HG2 LYS A 33 50.780 15.312 -16.604 1.00 0.00 H new ATOM 0 HG3 LYS A 33 50.748 16.944 -15.966 1.00 0.00 H new ATOM 0 HD2 LYS A 33 51.080 17.014 -18.420 1.00 0.00 H new ATOM 0 HD3 LYS A 33 52.505 17.642 -17.616 1.00 0.00 H new ATOM 0 HE2 LYS A 33 53.152 16.094 -19.453 1.00 0.00 H new ATOM 0 HE3 LYS A 33 53.670 15.457 -17.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 52.520 13.839 -19.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 51.873 13.934 -17.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 51.079 14.694 -19.156 1.00 0.00 H new ATOM 501 N CYS A 34 51.929 18.918 -15.351 1.00 0.00 N ATOM 502 CA CYS A 34 51.013 20.031 -14.986 1.00 0.00 C ATOM 503 C CYS A 34 49.563 19.851 -15.472 1.00 0.00 C ATOM 504 O CYS A 34 49.129 20.441 -16.445 1.00 0.00 O ATOM 505 CB CYS A 34 51.532 21.335 -15.558 1.00 0.00 C ATOM 506 SG CYS A 34 53.056 22.092 -14.942 1.00 0.00 S ATOM 0 H CYS A 34 52.086 18.815 -16.354 1.00 0.00 H new ATOM 0 HA CYS A 34 50.993 20.037 -13.896 1.00 0.00 H new ATOM 0 HB2 CYS A 34 51.664 21.182 -16.629 1.00 0.00 H new ATOM 0 HB3 CYS A 34 50.739 22.073 -15.437 1.00 0.00 H new ATOM 511 N ASN A 35 48.858 19.022 -14.759 1.00 0.00 N ATOM 512 CA ASN A 35 47.417 18.749 -15.102 1.00 0.00 C ATOM 513 C ASN A 35 46.635 19.742 -14.216 1.00 0.00 C ATOM 514 O ASN A 35 46.987 19.923 -13.065 1.00 0.00 O ATOM 515 CB ASN A 35 46.910 17.342 -14.686 1.00 0.00 C ATOM 516 CG ASN A 35 47.830 16.185 -15.085 1.00 0.00 C ATOM 517 OD1 ASN A 35 48.365 16.122 -16.174 1.00 0.00 O ATOM 518 ND2 ASN A 35 48.021 15.247 -14.191 1.00 0.00 N ATOM 0 H ASN A 35 49.210 18.514 -13.947 1.00 0.00 H new ATOM 0 HA ASN A 35 47.292 18.832 -16.182 1.00 0.00 H new ATOM 0 HB2 ASN A 35 46.776 17.325 -13.604 1.00 0.00 H new ATOM 0 HB3 ASN A 35 45.929 17.178 -15.132 1.00 0.00 H new ATOM 0 HD21 ASN A 35 48.624 14.453 -14.406 1.00 0.00 H new ATOM 0 HD22 ASN A 35 47.567 15.311 -13.280 1.00 0.00 H new ATOM 525 N GLN A 36 45.611 20.358 -14.752 1.00 0.00 N ATOM 526 CA GLN A 36 44.813 21.327 -13.933 1.00 0.00 C ATOM 527 C GLN A 36 43.805 20.464 -13.153 1.00 0.00 C ATOM 528 O GLN A 36 42.750 20.125 -13.654 1.00 0.00 O ATOM 529 CB GLN A 36 44.100 22.320 -14.881 1.00 0.00 C ATOM 530 CG GLN A 36 45.146 23.106 -15.701 1.00 0.00 C ATOM 531 CD GLN A 36 44.442 24.102 -16.632 1.00 0.00 C ATOM 532 OE1 GLN A 36 43.535 24.810 -16.243 1.00 0.00 O ATOM 533 NE2 GLN A 36 44.834 24.189 -17.873 1.00 0.00 N ATOM 0 H GLN A 36 45.293 20.235 -15.713 1.00 0.00 H new ATOM 0 HA GLN A 36 45.423 21.918 -13.250 1.00 0.00 H new ATOM 0 HB2 GLN A 36 43.431 21.780 -15.551 1.00 0.00 H new ATOM 0 HB3 GLN A 36 43.485 23.010 -14.303 1.00 0.00 H new ATOM 0 HG2 GLN A 36 45.821 23.637 -15.030 1.00 0.00 H new ATOM 0 HG3 GLN A 36 45.755 22.416 -16.286 1.00 0.00 H new ATOM 0 HE21 GLN A 36 45.595 23.599 -18.210 1.00 0.00 H new ATOM 0 HE22 GLN A 36 44.380 24.847 -18.506 1.00 0.00 H new ATOM 542 N ARG A 37 44.178 20.138 -11.939 1.00 0.00 N ATOM 543 CA ARG A 37 43.307 19.289 -11.055 1.00 0.00 C ATOM 544 C ARG A 37 43.707 19.370 -9.576 1.00 0.00 C ATOM 545 O ARG A 37 44.556 20.146 -9.194 1.00 0.00 O ATOM 546 CB ARG A 37 43.408 17.816 -11.530 1.00 0.00 C ATOM 547 CG ARG A 37 44.905 17.385 -11.488 1.00 0.00 C ATOM 548 CD ARG A 37 45.097 15.937 -11.964 1.00 0.00 C ATOM 549 NE ARG A 37 44.384 15.017 -11.024 1.00 0.00 N ATOM 550 CZ ARG A 37 44.820 13.803 -10.779 1.00 0.00 C ATOM 551 NH1 ARG A 37 45.903 13.344 -11.351 1.00 0.00 N ATOM 552 NH2 ARG A 37 44.139 13.070 -9.943 1.00 0.00 N ATOM 0 H ARG A 37 45.060 20.426 -11.515 1.00 0.00 H new ATOM 0 HA ARG A 37 42.286 19.664 -11.134 1.00 0.00 H new ATOM 0 HB2 ARG A 37 42.809 17.169 -10.889 1.00 0.00 H new ATOM 0 HB3 ARG A 37 43.013 17.716 -12.541 1.00 0.00 H new ATOM 0 HG2 ARG A 37 45.493 18.055 -12.115 1.00 0.00 H new ATOM 0 HG3 ARG A 37 45.284 17.486 -10.471 1.00 0.00 H new ATOM 0 HD2 ARG A 37 44.707 15.818 -12.975 1.00 0.00 H new ATOM 0 HD3 ARG A 37 46.158 15.690 -12.000 1.00 0.00 H new ATOM 0 HE ARG A 37 43.535 15.342 -10.561 1.00 0.00 H new ATOM 0 HH11 ARG A 37 46.425 13.932 -12.001 1.00 0.00 H new ATOM 0 HH12 ARG A 37 46.225 12.398 -11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 37 43.298 13.445 -9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 37 44.447 12.122 -9.728 1.00 0.00 H new ATOM 566 N CYS A 38 43.062 18.539 -8.795 1.00 0.00 N ATOM 567 CA CYS A 38 43.318 18.464 -7.320 1.00 0.00 C ATOM 568 C CYS A 38 44.798 18.323 -6.939 1.00 0.00 C ATOM 569 O CYS A 38 45.602 17.806 -7.691 1.00 0.00 O ATOM 570 CB CYS A 38 42.559 17.267 -6.739 1.00 0.00 C ATOM 571 SG CYS A 38 43.004 16.691 -5.088 1.00 0.00 S ATOM 0 H CYS A 38 42.348 17.891 -9.127 1.00 0.00 H new ATOM 0 HA CYS A 38 42.974 19.413 -6.909 1.00 0.00 H new ATOM 0 HB2 CYS A 38 41.499 17.519 -6.728 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.681 16.430 -7.427 1.00 0.00 H new ATOM 576 N GLY A 39 45.087 18.803 -5.758 1.00 0.00 N ATOM 577 CA GLY A 39 46.472 18.749 -5.214 1.00 0.00 C ATOM 578 C GLY A 39 46.606 19.592 -3.962 1.00 0.00 C ATOM 579 O GLY A 39 45.751 20.399 -3.661 1.00 0.00 O ATOM 0 H GLY A 39 44.406 19.239 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 39 46.736 17.716 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 39 47.175 19.101 -5.969 1.00 0.00 H new ATOM 583 N CYS A 40 47.685 19.374 -3.255 1.00 0.00 N ATOM 584 CA CYS A 40 47.927 20.144 -2.009 1.00 0.00 C ATOM 585 C CYS A 40 48.010 21.629 -2.315 1.00 0.00 C ATOM 586 O CYS A 40 48.393 22.028 -3.398 1.00 0.00 O ATOM 587 CB CYS A 40 49.225 19.668 -1.365 1.00 0.00 C ATOM 588 SG CYS A 40 49.227 18.000 -0.675 1.00 0.00 S ATOM 0 H CYS A 40 48.407 18.694 -3.491 1.00 0.00 H new ATOM 0 HA CYS A 40 47.099 19.980 -1.319 1.00 0.00 H new ATOM 0 HB2 CYS A 40 50.017 19.728 -2.112 1.00 0.00 H new ATOM 0 HB3 CYS A 40 49.485 20.365 -0.569 1.00 0.00 H new ATOM 593 N ILE A 41 47.645 22.393 -1.324 1.00 0.00 N ATOM 594 CA ILE A 41 47.664 23.879 -1.468 1.00 0.00 C ATOM 595 C ILE A 41 49.110 24.316 -1.750 1.00 0.00 C ATOM 596 O ILE A 41 50.056 23.585 -1.523 1.00 0.00 O ATOM 597 CB ILE A 41 47.141 24.525 -0.153 1.00 0.00 C ATOM 598 CG1 ILE A 41 45.753 23.893 0.206 1.00 0.00 C ATOM 599 CG2 ILE A 41 46.945 26.051 -0.369 1.00 0.00 C ATOM 600 CD1 ILE A 41 45.211 24.422 1.550 1.00 0.00 C ATOM 0 H ILE A 41 47.332 22.052 -0.415 1.00 0.00 H new ATOM 0 HA ILE A 41 47.023 24.199 -2.289 1.00 0.00 H new ATOM 0 HB ILE A 41 47.859 24.351 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 41 45.038 24.114 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 41 45.850 22.808 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 41 46.579 26.505 0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 41 47.897 26.505 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 41 46.221 26.215 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 41 44.247 23.959 1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 41 45.913 24.178 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 41 45.089 25.504 1.493 1.00 0.00 H new ATOM 612 N SER A 42 49.214 25.514 -2.247 1.00 0.00 N ATOM 613 CA SER A 42 50.540 26.102 -2.585 1.00 0.00 C ATOM 614 C SER A 42 51.329 26.402 -1.304 1.00 0.00 C ATOM 615 O SER A 42 51.134 27.405 -0.645 1.00 0.00 O ATOM 616 CB SER A 42 50.298 27.387 -3.419 1.00 0.00 C ATOM 617 OG SER A 42 49.485 28.221 -2.603 1.00 0.00 O ATOM 0 H SER A 42 48.419 26.124 -2.438 1.00 0.00 H new ATOM 0 HA SER A 42 51.134 25.400 -3.170 1.00 0.00 H new ATOM 0 HB2 SER A 42 51.239 27.877 -3.667 1.00 0.00 H new ATOM 0 HB3 SER A 42 49.802 27.156 -4.361 1.00 0.00 H new ATOM 0 HG SER A 42 49.799 28.177 -1.676 1.00 0.00 H new ATOM 623 N GLY A 43 52.206 25.479 -1.010 1.00 0.00 N ATOM 624 CA GLY A 43 53.078 25.575 0.198 1.00 0.00 C ATOM 625 C GLY A 43 52.937 24.306 1.046 1.00 0.00 C ATOM 626 O GLY A 43 53.784 24.024 1.872 1.00 0.00 O ATOM 0 H GLY A 43 52.358 24.641 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 43 54.117 25.708 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.802 26.449 0.788 1.00 0.00 H new ATOM 630 N THR A 44 51.870 23.579 0.810 1.00 0.00 N ATOM 631 CA THR A 44 51.612 22.321 1.567 1.00 0.00 C ATOM 632 C THR A 44 51.923 21.068 0.749 1.00 0.00 C ATOM 633 O THR A 44 52.038 21.085 -0.462 1.00 0.00 O ATOM 634 CB THR A 44 50.115 22.260 2.019 1.00 0.00 C ATOM 635 OG1 THR A 44 49.309 22.301 0.846 1.00 0.00 O ATOM 636 CG2 THR A 44 49.712 23.508 2.804 1.00 0.00 C ATOM 0 H THR A 44 51.160 23.811 0.115 1.00 0.00 H new ATOM 0 HA THR A 44 52.276 22.338 2.431 1.00 0.00 H new ATOM 0 HB THR A 44 49.986 21.364 2.626 1.00 0.00 H new ATOM 0 HG1 THR A 44 49.833 22.663 0.101 1.00 0.00 H new ATOM 0 HG21 THR A 44 48.666 23.429 3.101 1.00 0.00 H new ATOM 0 HG22 THR A 44 50.336 23.596 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 44 49.846 24.390 2.178 1.00 0.00 H new ATOM 644 N VAL A 45 52.044 20.022 1.515 1.00 0.00 N ATOM 645 CA VAL A 45 52.340 18.644 1.022 1.00 0.00 C ATOM 646 C VAL A 45 51.401 17.707 1.762 1.00 0.00 C ATOM 647 O VAL A 45 51.117 17.923 2.922 1.00 0.00 O ATOM 648 CB VAL A 45 53.805 18.225 1.326 1.00 0.00 C ATOM 649 CG1 VAL A 45 54.772 18.989 0.445 1.00 0.00 C ATOM 650 CG2 VAL A 45 54.183 18.520 2.799 1.00 0.00 C ATOM 0 H VAL A 45 51.943 20.071 2.529 1.00 0.00 H new ATOM 0 HA VAL A 45 52.205 18.605 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 45 53.872 17.154 1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 45 55.793 18.682 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 45 54.555 18.778 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 45 54.665 20.058 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 45 55.214 18.215 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 45 54.081 19.588 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 45 53.520 17.965 3.463 1.00 0.00 H new ATOM 660 N LEU A 46 50.946 16.693 1.075 1.00 0.00 N ATOM 661 CA LEU A 46 50.013 15.706 1.694 1.00 0.00 C ATOM 662 C LEU A 46 50.698 15.178 2.967 1.00 0.00 C ATOM 663 O LEU A 46 51.857 14.816 2.930 1.00 0.00 O ATOM 664 CB LEU A 46 49.772 14.612 0.655 1.00 0.00 C ATOM 665 CG LEU A 46 48.662 13.614 1.057 1.00 0.00 C ATOM 666 CD1 LEU A 46 47.308 14.354 1.206 1.00 0.00 C ATOM 667 CD2 LEU A 46 48.529 12.560 -0.065 1.00 0.00 C ATOM 0 H LEU A 46 51.183 16.504 0.101 1.00 0.00 H new ATOM 0 HA LEU A 46 49.048 16.127 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 46 49.506 15.076 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 46 50.701 14.065 0.493 1.00 0.00 H new ATOM 0 HG LEU A 46 48.919 13.144 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 46 46.533 13.642 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 46 47.395 15.121 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 46 47.042 14.821 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 46 47.750 11.845 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 46 48.266 13.055 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 46 49.477 12.036 -0.186 1.00 0.00 H new ATOM 679 N LYS A 47 49.959 15.158 4.045 1.00 0.00 N ATOM 680 CA LYS A 47 50.492 14.678 5.362 1.00 0.00 C ATOM 681 C LYS A 47 51.327 13.391 5.261 1.00 0.00 C ATOM 682 O LYS A 47 52.315 13.248 5.955 1.00 0.00 O ATOM 683 CB LYS A 47 49.291 14.466 6.315 1.00 0.00 C ATOM 684 CG LYS A 47 49.729 13.953 7.712 1.00 0.00 C ATOM 685 CD LYS A 47 50.657 14.980 8.411 1.00 0.00 C ATOM 686 CE LYS A 47 51.076 14.454 9.794 1.00 0.00 C ATOM 687 NZ LYS A 47 49.877 14.242 10.654 1.00 0.00 N ATOM 0 H LYS A 47 48.985 15.461 4.072 1.00 0.00 H new ATOM 0 HA LYS A 47 51.175 15.437 5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 47 48.751 15.406 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 47 48.598 13.752 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 47 48.849 13.772 8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 47 50.247 13.000 7.608 1.00 0.00 H new ATOM 0 HD2 LYS A 47 51.540 15.160 7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 47 50.142 15.935 8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 47 51.623 13.517 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 47 51.752 15.164 10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 50.172 14.169 11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 49.225 15.044 10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 49.397 13.364 10.370 1.00 0.00 H new ATOM 701 N SER A 48 50.905 12.498 4.404 1.00 0.00 N ATOM 702 CA SER A 48 51.638 11.207 4.220 1.00 0.00 C ATOM 703 C SER A 48 51.576 10.764 2.767 1.00 0.00 C ATOM 704 O SER A 48 50.974 11.424 1.942 1.00 0.00 O ATOM 705 CB SER A 48 51.000 10.128 5.121 1.00 0.00 C ATOM 706 OG SER A 48 51.137 10.640 6.439 1.00 0.00 O ATOM 0 H SER A 48 50.077 12.608 3.818 1.00 0.00 H new ATOM 0 HA SER A 48 52.683 11.348 4.496 1.00 0.00 H new ATOM 0 HB2 SER A 48 49.953 9.965 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 48 51.507 9.169 5.013 1.00 0.00 H new ATOM 0 HG SER A 48 50.750 10.006 7.078 1.00 0.00 H new ATOM 712 N LYS A 49 52.217 9.644 2.528 1.00 0.00 N ATOM 713 CA LYS A 49 52.291 9.018 1.171 1.00 0.00 C ATOM 714 C LYS A 49 50.925 9.037 0.469 1.00 0.00 C ATOM 715 O LYS A 49 50.856 9.060 -0.745 1.00 0.00 O ATOM 716 CB LYS A 49 52.799 7.573 1.355 1.00 0.00 C ATOM 717 CG LYS A 49 52.980 6.877 -0.012 1.00 0.00 C ATOM 718 CD LYS A 49 53.515 5.447 0.216 1.00 0.00 C ATOM 719 CE LYS A 49 53.702 4.738 -1.138 1.00 0.00 C ATOM 720 NZ LYS A 49 52.400 4.642 -1.858 1.00 0.00 N ATOM 0 H LYS A 49 52.711 9.119 3.249 1.00 0.00 H new ATOM 0 HA LYS A 49 52.972 9.583 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 49 53.747 7.582 1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 49 52.093 7.009 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 49 52.030 6.842 -0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 49 53.674 7.443 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 49 54.464 5.485 0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 49 52.820 4.884 0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 49 54.422 5.286 -1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 49 54.112 3.740 -0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 52.472 3.929 -2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 51.653 4.365 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 52.166 5.565 -2.276 1.00 0.00 H new ATOM 734 N ASP A 50 49.884 9.034 1.267 1.00 0.00 N ATOM 735 CA ASP A 50 48.502 9.050 0.699 1.00 0.00 C ATOM 736 C ASP A 50 47.466 9.418 1.786 1.00 0.00 C ATOM 737 O ASP A 50 46.565 8.659 2.089 1.00 0.00 O ATOM 738 CB ASP A 50 48.210 7.642 0.094 1.00 0.00 C ATOM 739 CG ASP A 50 46.818 7.619 -0.571 1.00 0.00 C ATOM 740 OD1 ASP A 50 46.669 8.343 -1.542 1.00 0.00 O ATOM 741 OD2 ASP A 50 45.983 6.881 -0.074 1.00 0.00 O ATOM 0 H ASP A 50 49.933 9.021 2.286 1.00 0.00 H new ATOM 0 HA ASP A 50 48.426 9.807 -0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 50 48.975 7.389 -0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 50 48.258 6.886 0.877 1.00 0.00 H new ATOM 746 N SER A 51 47.629 10.590 2.351 1.00 0.00 N ATOM 747 CA SER A 51 46.690 11.070 3.418 1.00 0.00 C ATOM 748 C SER A 51 45.486 11.766 2.723 1.00 0.00 C ATOM 749 O SER A 51 45.185 11.467 1.583 1.00 0.00 O ATOM 750 CB SER A 51 47.501 12.032 4.320 1.00 0.00 C ATOM 751 OG SER A 51 46.645 12.371 5.401 1.00 0.00 O ATOM 0 H SER A 51 48.378 11.241 2.118 1.00 0.00 H new ATOM 0 HA SER A 51 46.288 10.267 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 51 48.413 11.554 4.679 1.00 0.00 H new ATOM 0 HB3 SER A 51 47.804 12.922 3.768 1.00 0.00 H new ATOM 0 HG SER A 51 47.057 12.090 6.245 1.00 0.00 H new ATOM 757 N SER A 52 44.836 12.666 3.421 1.00 0.00 N ATOM 758 CA SER A 52 43.655 13.422 2.887 1.00 0.00 C ATOM 759 C SER A 52 43.870 14.926 3.119 1.00 0.00 C ATOM 760 O SER A 52 43.345 15.748 2.394 1.00 0.00 O ATOM 761 CB SER A 52 42.387 12.940 3.619 1.00 0.00 C ATOM 762 OG SER A 52 42.637 13.188 4.996 1.00 0.00 O ATOM 0 H SER A 52 45.086 12.918 4.377 1.00 0.00 H new ATOM 0 HA SER A 52 43.541 13.245 1.817 1.00 0.00 H new ATOM 0 HB2 SER A 52 41.504 13.479 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 52 42.205 11.881 3.436 1.00 0.00 H new ATOM 0 HG SER A 52 41.863 12.904 5.525 1.00 0.00 H new ATOM 768 N GLU A 53 44.642 15.229 4.134 1.00 0.00 N ATOM 769 CA GLU A 53 44.947 16.649 4.486 1.00 0.00 C ATOM 770 C GLU A 53 46.423 16.949 4.256 1.00 0.00 C ATOM 771 O GLU A 53 47.275 16.179 4.652 1.00 0.00 O ATOM 772 CB GLU A 53 44.602 16.905 5.970 1.00 0.00 C ATOM 773 CG GLU A 53 43.094 16.711 6.225 1.00 0.00 C ATOM 774 CD GLU A 53 42.300 17.704 5.356 1.00 0.00 C ATOM 775 OE1 GLU A 53 42.209 18.846 5.776 1.00 0.00 O ATOM 776 OE2 GLU A 53 41.835 17.263 4.318 1.00 0.00 O ATOM 0 H GLU A 53 45.081 14.539 4.743 1.00 0.00 H new ATOM 0 HA GLU A 53 44.347 17.300 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.172 16.225 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.894 17.918 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.802 15.688 5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 53 42.868 16.871 7.279 1.00 0.00 H new ATOM 783 N CYS A 54 46.668 18.065 3.620 1.00 0.00 N ATOM 784 CA CYS A 54 48.068 18.492 3.326 1.00 0.00 C ATOM 785 C CYS A 54 48.476 19.551 4.352 1.00 0.00 C ATOM 786 O CYS A 54 47.700 20.421 4.696 1.00 0.00 O ATOM 787 CB CYS A 54 48.141 19.098 1.933 1.00 0.00 C ATOM 788 SG CYS A 54 47.598 18.121 0.511 1.00 0.00 S ATOM 0 H CYS A 54 45.948 18.707 3.288 1.00 0.00 H new ATOM 0 HA CYS A 54 48.735 17.631 3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 54 47.552 20.015 1.944 1.00 0.00 H new ATOM 0 HB3 CYS A 54 49.177 19.386 1.755 1.00 0.00 H new ATOM 793 N VAL A 55 49.694 19.426 4.802 1.00 0.00 N ATOM 794 CA VAL A 55 50.271 20.363 5.806 1.00 0.00 C ATOM 795 C VAL A 55 51.660 20.779 5.316 1.00 0.00 C ATOM 796 O VAL A 55 52.326 20.009 4.652 1.00 0.00 O ATOM 797 CB VAL A 55 50.363 19.638 7.186 1.00 0.00 C ATOM 798 CG1 VAL A 55 48.957 19.214 7.662 1.00 0.00 C ATOM 799 CG2 VAL A 55 51.279 18.412 7.138 1.00 0.00 C ATOM 0 H VAL A 55 50.333 18.689 4.505 1.00 0.00 H new ATOM 0 HA VAL A 55 49.647 21.249 5.925 1.00 0.00 H new ATOM 0 HB VAL A 55 50.795 20.348 7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 55 49.036 18.710 8.625 1.00 0.00 H new ATOM 0 HG12 VAL A 55 48.326 20.097 7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 55 48.515 18.536 6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 55 51.310 17.942 8.121 1.00 0.00 H new ATOM 0 HG22 VAL A 55 50.895 17.700 6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 55 52.284 18.720 6.851 1.00 0.00 H new ATOM 809 N HIS A 56 52.058 21.981 5.652 1.00 0.00 N ATOM 810 CA HIS A 56 53.402 22.478 5.223 1.00 0.00 C ATOM 811 C HIS A 56 54.494 21.562 5.811 1.00 0.00 C ATOM 812 O HIS A 56 54.267 20.915 6.814 1.00 0.00 O ATOM 813 CB HIS A 56 53.596 23.921 5.733 1.00 0.00 C ATOM 814 CG HIS A 56 52.533 24.835 5.114 1.00 0.00 C ATOM 815 ND1 HIS A 56 52.674 25.491 4.010 1.00 0.00 N ATOM 816 CD2 HIS A 56 51.259 25.164 5.546 1.00 0.00 C ATOM 817 CE1 HIS A 56 51.599 26.169 3.764 1.00 0.00 C ATOM 818 NE2 HIS A 56 50.693 25.995 4.693 1.00 0.00 N ATOM 0 H HIS A 56 51.510 22.640 6.205 1.00 0.00 H new ATOM 0 HA HIS A 56 53.472 22.468 4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 56 53.522 23.946 6.820 1.00 0.00 H new ATOM 0 HB3 HIS A 56 54.593 24.278 5.473 1.00 0.00 H new ATOM 0 HD1 HIS A 56 53.507 25.477 3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.797 24.794 6.449 1.00 0.00 H new ATOM 0 HE1 HIS A 56 51.466 26.801 2.898 1.00 0.00 H new ATOM 826 N PRO A 57 55.645 21.523 5.181 1.00 0.00 N ATOM 827 CA PRO A 57 56.786 20.731 5.687 1.00 0.00 C ATOM 828 C PRO A 57 57.205 21.159 7.104 1.00 0.00 C ATOM 829 O PRO A 57 57.709 20.358 7.864 1.00 0.00 O ATOM 830 CB PRO A 57 57.896 21.032 4.664 1.00 0.00 C ATOM 831 CG PRO A 57 57.486 22.298 4.011 1.00 0.00 C ATOM 832 CD PRO A 57 56.000 22.215 3.926 1.00 0.00 C ATOM 0 HA PRO A 57 56.553 19.670 5.777 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.865 21.136 5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.991 20.226 3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.802 23.164 4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 57 57.934 22.397 3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.542 23.202 3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 57 55.675 21.656 3.049 1.00 0.00 H new ATOM 840 N SER A 58 56.965 22.415 7.384 1.00 0.00 N ATOM 841 CA SER A 58 57.306 23.012 8.712 1.00 0.00 C ATOM 842 C SER A 58 56.432 22.478 9.862 1.00 0.00 C ATOM 843 O SER A 58 56.811 22.588 11.012 1.00 0.00 O ATOM 844 CB SER A 58 57.148 24.539 8.603 1.00 0.00 C ATOM 845 OG SER A 58 55.785 24.735 8.245 1.00 0.00 O ATOM 0 H SER A 58 56.535 23.069 6.730 1.00 0.00 H new ATOM 0 HA SER A 58 58.331 22.731 8.954 1.00 0.00 H new ATOM 0 HB2 SER A 58 57.384 25.030 9.547 1.00 0.00 H new ATOM 0 HB3 SER A 58 57.819 24.954 7.851 1.00 0.00 H new ATOM 0 HG SER A 58 55.604 25.694 8.158 1.00 0.00 H new ATOM 851 N LYS A 59 55.297 21.922 9.517 1.00 0.00 N ATOM 852 CA LYS A 59 54.353 21.366 10.540 1.00 0.00 C ATOM 853 C LYS A 59 54.157 19.854 10.434 1.00 0.00 C ATOM 854 O LYS A 59 53.749 19.231 11.395 1.00 0.00 O ATOM 855 CB LYS A 59 53.001 22.086 10.398 1.00 0.00 C ATOM 856 CG LYS A 59 52.474 22.028 8.961 1.00 0.00 C ATOM 857 CD LYS A 59 51.057 22.672 8.821 1.00 0.00 C ATOM 858 CE LYS A 59 51.019 24.185 9.158 1.00 0.00 C ATOM 859 NZ LYS A 59 51.305 24.444 10.597 1.00 0.00 N ATOM 0 H LYS A 59 54.978 21.828 8.553 1.00 0.00 H new ATOM 0 HA LYS A 59 54.792 21.541 11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 59 52.274 21.630 11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 59 53.109 23.127 10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 59 53.171 22.543 8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 59 52.432 20.989 8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 59 50.702 22.528 7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 59 50.363 22.146 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 59 51.749 24.712 8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 59 50.038 24.588 8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 50.656 25.174 10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 51.173 23.567 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 52.286 24.772 10.702 1.00 0.00 H new ATOM 873 N CYS A 60 54.447 19.315 9.277 1.00 0.00 N ATOM 874 CA CYS A 60 54.303 17.838 9.054 1.00 0.00 C ATOM 875 C CYS A 60 54.890 17.014 10.223 1.00 0.00 C ATOM 876 O CYS A 60 56.040 17.269 10.548 1.00 0.00 O ATOM 877 CB CYS A 60 55.031 17.442 7.771 1.00 0.00 C ATOM 878 SG CYS A 60 54.417 17.784 6.107 1.00 0.00 S ATOM 879 OXT CYS A 60 54.153 16.180 10.724 1.00 0.00 O ATOM 0 H CYS A 60 54.781 19.838 8.467 1.00 0.00 H new ATOM 0 HA CYS A 60 53.237 17.623 8.982 1.00 0.00 H new ATOM 0 HB2 CYS A 60 56.019 17.899 7.830 1.00 0.00 H new ATOM 0 HB3 CYS A 60 55.175 16.363 7.825 1.00 0.00 H new TER 884 CYS A 60