USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 24 MET CE :methyl 161:sc= 0 (180deg=-0.534) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 1 LEU N :NH3+ -116:sc= 0.525 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= -1.69 K(o=-1.2,f=-5.4!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -2.21 K(o=-2.2,f=-8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -122:sc= 1.07 (180deg=-0.173) USER MOD Single : A 26 MET CE :methyl -152:sc= -0.0801 (180deg=-0.436) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.57! C(o=-2.6!,f=-4.1!) USER MOD Single : A 46 SER OG : rot -38:sc= -5.07! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.442 K(o=-0.44,f=-4.3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 60 ASN : amide:sc= -2.14! C(o=-2.1!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.608 12.199 -2.101 1.00 0.00 N ATOM 2 CA LEU A 1 5.534 11.178 -1.071 1.00 0.00 C ATOM 3 C LEU A 1 6.401 9.985 -1.479 1.00 0.00 C ATOM 4 O LEU A 1 6.480 9.644 -2.657 1.00 0.00 O ATOM 5 CB LEU A 1 4.076 10.809 -0.785 1.00 0.00 C ATOM 6 CG LEU A 1 3.508 11.304 0.546 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.102 11.877 0.363 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.542 10.198 1.602 1.00 0.00 C ATOM 0 H1 LEU A 1 6.051 13.055 -1.710 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.176 11.848 -2.898 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.649 12.427 -2.434 1.00 0.00 H new ATOM 0 HA LEU A 1 5.933 11.557 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.457 11.204 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.984 9.723 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 1 4.142 12.114 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.722 12.222 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.138 12.714 -0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.443 11.104 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.133 10.576 2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.946 9.351 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.572 9.877 1.760 1.00 0.00 H new ATOM 20 N LYS A 2 7.029 9.382 -0.479 1.00 0.00 N ATOM 21 CA LYS A 2 7.887 8.234 -0.719 1.00 0.00 C ATOM 22 C LYS A 2 7.170 6.963 -0.261 1.00 0.00 C ATOM 23 O LYS A 2 6.917 6.783 0.929 1.00 0.00 O ATOM 24 CB LYS A 2 9.254 8.441 -0.063 1.00 0.00 C ATOM 25 CG LYS A 2 9.947 9.687 -0.619 1.00 0.00 C ATOM 26 CD LYS A 2 10.451 10.584 0.513 1.00 0.00 C ATOM 27 CE LYS A 2 11.968 10.461 0.676 1.00 0.00 C ATOM 28 NZ LYS A 2 12.333 10.423 2.110 1.00 0.00 N ATOM 0 H LYS A 2 6.961 9.667 0.498 1.00 0.00 H new ATOM 0 HA LYS A 2 8.085 8.122 -1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.132 8.539 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.880 7.565 -0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.783 9.391 -1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.252 10.244 -1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.187 11.621 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.958 10.310 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.321 9.557 0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.461 11.303 0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.365 10.339 2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.013 11.298 2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.877 9.605 2.563 1.00 0.00 H new ATOM 42 N CYS A 3 6.865 6.112 -1.230 1.00 0.00 N ATOM 43 CA CYS A 3 6.183 4.863 -0.942 1.00 0.00 C ATOM 44 C CYS A 3 7.173 3.715 -1.150 1.00 0.00 C ATOM 45 O CYS A 3 8.092 3.823 -1.961 1.00 0.00 O ATOM 46 CB CYS A 3 4.925 4.694 -1.796 1.00 0.00 C ATOM 47 SG CYS A 3 3.930 6.215 -2.005 1.00 0.00 S ATOM 0 H CYS A 3 7.078 6.264 -2.216 1.00 0.00 H new ATOM 0 HA CYS A 3 5.842 4.864 0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.218 4.330 -2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.297 3.925 -1.345 1.00 0.00 H new ATOM 52 N ASN A 4 6.952 2.641 -0.405 1.00 0.00 N ATOM 53 CA ASN A 4 7.815 1.476 -0.499 1.00 0.00 C ATOM 54 C ASN A 4 7.128 0.407 -1.352 1.00 0.00 C ATOM 55 O ASN A 4 5.917 0.460 -1.564 1.00 0.00 O ATOM 56 CB ASN A 4 8.082 0.877 0.883 1.00 0.00 C ATOM 57 CG ASN A 4 8.562 1.950 1.862 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.767 3.100 1.511 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.730 1.511 3.106 1.00 0.00 N ATOM 0 H ASN A 4 6.188 2.554 0.266 1.00 0.00 H new ATOM 0 HA ASN A 4 8.759 1.789 -0.945 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.172 0.413 1.264 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.832 0.090 0.804 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.049 2.151 3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.540 0.535 3.332 1.00 0.00 H new ATOM 66 N LYS A 5 7.930 -0.538 -1.819 1.00 0.00 N ATOM 67 CA LYS A 5 7.416 -1.617 -2.644 1.00 0.00 C ATOM 68 C LYS A 5 6.906 -2.743 -1.743 1.00 0.00 C ATOM 69 O LYS A 5 6.595 -2.517 -0.575 1.00 0.00 O ATOM 70 CB LYS A 5 8.471 -2.068 -3.656 1.00 0.00 C ATOM 71 CG LYS A 5 9.076 -0.869 -4.389 1.00 0.00 C ATOM 72 CD LYS A 5 10.561 -0.714 -4.053 1.00 0.00 C ATOM 73 CE LYS A 5 11.437 -1.163 -5.224 1.00 0.00 C ATOM 74 NZ LYS A 5 11.959 0.010 -5.960 1.00 0.00 N ATOM 0 H LYS A 5 8.934 -0.579 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 5 6.568 -1.273 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.259 -2.621 -3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.020 -2.750 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.954 -0.996 -5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.540 0.039 -4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.776 0.327 -3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.801 -1.303 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.266 -1.767 -4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.858 -1.794 -5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.552 -0.312 -6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.164 0.571 -6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.529 0.597 -5.318 1.00 0.00 H new ATOM 88 N LEU A 6 6.837 -3.934 -2.320 1.00 0.00 N ATOM 89 CA LEU A 6 6.370 -5.097 -1.584 1.00 0.00 C ATOM 90 C LEU A 6 7.123 -5.190 -0.255 1.00 0.00 C ATOM 91 O LEU A 6 6.537 -5.525 0.773 1.00 0.00 O ATOM 92 CB LEU A 6 6.484 -6.357 -2.444 1.00 0.00 C ATOM 93 CG LEU A 6 5.524 -7.496 -2.096 1.00 0.00 C ATOM 94 CD1 LEU A 6 5.750 -7.985 -0.664 1.00 0.00 C ATOM 95 CD2 LEU A 6 4.071 -7.081 -2.337 1.00 0.00 C ATOM 0 H LEU A 6 7.097 -4.119 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 6 5.311 -4.997 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.323 -6.078 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.504 -6.733 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 6 5.734 -8.335 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.055 -8.795 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.773 -8.346 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.583 -7.163 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.409 -7.909 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.831 -6.219 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.937 -6.819 -3.387 1.00 0.00 H new ATOM 107 N VAL A 7 8.411 -4.885 -0.319 1.00 0.00 N ATOM 108 CA VAL A 7 9.250 -4.931 0.866 1.00 0.00 C ATOM 109 C VAL A 7 9.491 -3.506 1.369 1.00 0.00 C ATOM 110 O VAL A 7 9.811 -2.613 0.586 1.00 0.00 O ATOM 111 CB VAL A 7 10.546 -5.684 0.561 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.551 -5.531 1.705 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.268 -7.160 0.271 1.00 0.00 C ATOM 0 H VAL A 7 8.894 -4.605 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 7 8.752 -5.479 1.666 1.00 0.00 H new ATOM 0 HB VAL A 7 10.986 -5.244 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.464 -6.076 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.785 -4.476 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.121 -5.932 2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.206 -7.672 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.794 -7.618 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.605 -7.243 -0.590 1.00 0.00 H new ATOM 123 N PRO A 8 9.329 -3.337 2.674 1.00 0.00 N ATOM 124 CA PRO A 8 9.884 -2.135 3.372 1.00 0.00 C ATOM 125 C PRO A 8 11.428 -1.862 3.361 1.00 0.00 C ATOM 126 O PRO A 8 12.046 -1.734 4.416 1.00 0.00 O ATOM 127 CB PRO A 8 9.320 -2.292 4.802 1.00 0.00 C ATOM 128 CG PRO A 8 8.171 -3.295 4.689 1.00 0.00 C ATOM 129 CD PRO A 8 8.605 -4.245 3.575 1.00 0.00 C ATOM 0 HA PRO A 8 9.581 -1.245 2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.087 -2.652 5.488 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.968 -1.336 5.191 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.015 -3.828 5.627 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.232 -2.798 4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.243 -5.047 3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.754 -4.716 3.084 1.00 0.00 H new ATOM 137 N ILE A 9 11.975 -1.788 2.157 1.00 0.00 N ATOM 138 CA ILE A 9 13.398 -1.541 1.995 1.00 0.00 C ATOM 139 C ILE A 9 13.611 -0.544 0.853 1.00 0.00 C ATOM 140 O ILE A 9 14.233 0.500 1.044 1.00 0.00 O ATOM 141 CB ILE A 9 14.154 -2.858 1.811 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.667 -2.628 1.827 1.00 0.00 C ATOM 143 CG2 ILE A 9 13.696 -3.580 0.542 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.164 -2.349 3.246 1.00 0.00 C ATOM 0 H ILE A 9 11.459 -1.895 1.284 1.00 0.00 H new ATOM 0 HA ILE A 9 13.811 -1.088 2.896 1.00 0.00 H new ATOM 0 HB ILE A 9 13.919 -3.508 2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.176 -3.504 1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 9 15.918 -1.789 1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.249 -4.513 0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.630 -3.796 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.883 -2.946 -0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.242 -2.189 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.671 -1.458 3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 9 15.933 -3.200 3.886 1.00 0.00 H new ATOM 156 N ALA A 10 13.084 -0.902 -0.308 1.00 0.00 N ATOM 157 CA ALA A 10 13.209 -0.054 -1.481 1.00 0.00 C ATOM 158 C ALA A 10 11.937 0.782 -1.638 1.00 0.00 C ATOM 159 O ALA A 10 10.830 0.245 -1.609 1.00 0.00 O ATOM 160 CB ALA A 10 13.495 -0.919 -2.710 1.00 0.00 C ATOM 0 H ALA A 10 12.569 -1.769 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 10 14.045 0.636 -1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.589 -0.282 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.424 -1.469 -2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.676 -1.623 -2.858 1.00 0.00 H new ATOM 166 N TYR A 11 12.136 2.081 -1.802 1.00 0.00 N ATOM 167 CA TYR A 11 11.018 2.995 -1.964 1.00 0.00 C ATOM 168 C TYR A 11 11.424 4.216 -2.794 1.00 0.00 C ATOM 169 O TYR A 11 12.579 4.638 -2.759 1.00 0.00 O ATOM 170 CB TYR A 11 10.641 3.455 -0.555 1.00 0.00 C ATOM 171 CG TYR A 11 11.780 4.143 0.201 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.667 3.392 0.946 1.00 0.00 C ATOM 173 CD2 TYR A 11 11.919 5.514 0.139 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.738 4.040 1.656 1.00 0.00 C ATOM 175 CE2 TYR A 11 12.991 6.162 0.851 1.00 0.00 C ATOM 176 CZ TYR A 11 13.847 5.393 1.574 1.00 0.00 C ATOM 177 OH TYR A 11 14.860 6.005 2.245 1.00 0.00 O ATOM 0 H TYR A 11 13.055 2.523 -1.826 1.00 0.00 H new ATOM 0 HA TYR A 11 10.192 2.503 -2.478 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.797 4.141 -0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.306 2.592 0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.557 2.319 0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.224 6.102 -0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.440 3.464 2.241 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.112 7.235 0.811 1.00 0.00 H new ATOM 0 HH TYR A 11 14.815 6.972 2.094 1.00 0.00 H new ATOM 187 N LYS A 12 10.452 4.748 -3.520 1.00 0.00 N ATOM 188 CA LYS A 12 10.693 5.911 -4.356 1.00 0.00 C ATOM 189 C LYS A 12 9.558 6.917 -4.162 1.00 0.00 C ATOM 190 O LYS A 12 8.672 6.709 -3.334 1.00 0.00 O ATOM 191 CB LYS A 12 10.899 5.489 -5.812 1.00 0.00 C ATOM 192 CG LYS A 12 12.385 5.303 -6.125 1.00 0.00 C ATOM 193 CD LYS A 12 12.735 5.883 -7.497 1.00 0.00 C ATOM 194 CE LYS A 12 12.950 7.395 -7.415 1.00 0.00 C ATOM 195 NZ LYS A 12 13.301 7.942 -8.746 1.00 0.00 N ATOM 0 H LYS A 12 9.496 4.395 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 12 11.615 6.410 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.364 4.559 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.476 6.243 -6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.986 5.790 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.635 4.242 -6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.637 5.404 -7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.934 5.664 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.046 7.877 -7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.745 7.617 -6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.444 8.970 -8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.176 7.494 -9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.530 7.747 -9.416 1.00 0.00 H new ATOM 209 N THR A 13 9.620 7.989 -4.940 1.00 0.00 N ATOM 210 CA THR A 13 8.608 9.029 -4.864 1.00 0.00 C ATOM 211 C THR A 13 7.408 8.669 -5.741 1.00 0.00 C ATOM 212 O THR A 13 7.568 8.345 -6.917 1.00 0.00 O ATOM 213 CB THR A 13 9.264 10.357 -5.247 1.00 0.00 C ATOM 214 OG1 THR A 13 9.641 10.931 -3.998 1.00 0.00 O ATOM 215 CG2 THR A 13 8.265 11.356 -5.831 1.00 0.00 C ATOM 0 H THR A 13 10.356 8.159 -5.626 1.00 0.00 H new ATOM 0 HA THR A 13 8.215 9.125 -3.852 1.00 0.00 H new ATOM 0 HB THR A 13 10.059 10.174 -5.970 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.076 11.795 -4.153 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.782 12.281 -6.086 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.812 10.935 -6.728 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.488 11.565 -5.096 1.00 0.00 H new ATOM 223 N CYS A 14 6.231 8.739 -5.135 1.00 0.00 N ATOM 224 CA CYS A 14 5.004 8.424 -5.846 1.00 0.00 C ATOM 225 C CYS A 14 4.688 9.583 -6.794 1.00 0.00 C ATOM 226 O CYS A 14 4.334 10.674 -6.351 1.00 0.00 O ATOM 227 CB CYS A 14 3.848 8.143 -4.884 1.00 0.00 C ATOM 228 SG CYS A 14 4.187 6.852 -3.632 1.00 0.00 S ATOM 0 H CYS A 14 6.102 9.009 -4.160 1.00 0.00 H new ATOM 0 HA CYS A 14 5.140 7.509 -6.423 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.589 9.069 -4.370 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.975 7.846 -5.465 1.00 0.00 H new ATOM 233 N PRO A 15 4.827 9.306 -8.083 1.00 0.00 N ATOM 234 CA PRO A 15 4.750 10.387 -9.117 1.00 0.00 C ATOM 235 C PRO A 15 3.444 11.242 -9.267 1.00 0.00 C ATOM 236 O PRO A 15 2.508 11.094 -8.482 1.00 0.00 O ATOM 237 CB PRO A 15 5.115 9.629 -10.414 1.00 0.00 C ATOM 238 CG PRO A 15 4.761 8.164 -10.156 1.00 0.00 C ATOM 239 CD PRO A 15 5.062 7.958 -8.673 1.00 0.00 C ATOM 0 HA PRO A 15 5.414 11.199 -8.820 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.559 10.021 -11.265 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.174 9.740 -10.647 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.714 7.962 -10.381 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.355 7.496 -10.779 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.408 7.206 -8.231 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.087 7.623 -8.514 1.00 0.00 H new ATOM 247 N GLU A 16 3.448 12.099 -10.277 1.00 0.00 N ATOM 248 CA GLU A 16 2.304 12.955 -10.536 1.00 0.00 C ATOM 249 C GLU A 16 1.035 12.115 -10.690 1.00 0.00 C ATOM 250 O GLU A 16 0.983 11.209 -11.521 1.00 0.00 O ATOM 251 CB GLU A 16 2.539 13.825 -11.773 1.00 0.00 C ATOM 252 CG GLU A 16 1.550 14.991 -11.819 1.00 0.00 C ATOM 253 CD GLU A 16 1.092 15.264 -13.253 1.00 0.00 C ATOM 254 OE1 GLU A 16 0.498 14.336 -13.846 1.00 0.00 O ATOM 255 OE2 GLU A 16 1.343 16.394 -13.725 1.00 0.00 O ATOM 0 H GLU A 16 4.226 12.219 -10.926 1.00 0.00 H new ATOM 0 HA GLU A 16 2.174 13.621 -9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.559 14.209 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.435 13.219 -12.673 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.686 14.765 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.017 15.885 -11.406 1.00 0.00 H new ATOM 262 N GLY A 17 0.043 12.445 -9.876 1.00 0.00 N ATOM 263 CA GLY A 17 -1.222 11.731 -9.910 1.00 0.00 C ATOM 264 C GLY A 17 -1.397 10.861 -8.664 1.00 0.00 C ATOM 265 O GLY A 17 -2.473 10.828 -8.072 1.00 0.00 O ATOM 0 H GLY A 17 0.090 13.197 -9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.044 12.444 -9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.267 11.107 -10.802 1.00 0.00 H new ATOM 269 N LYS A 18 -0.320 10.178 -8.303 1.00 0.00 N ATOM 270 CA LYS A 18 -0.340 9.311 -7.139 1.00 0.00 C ATOM 271 C LYS A 18 0.598 9.877 -6.070 1.00 0.00 C ATOM 272 O LYS A 18 1.817 9.843 -6.228 1.00 0.00 O ATOM 273 CB LYS A 18 -0.016 7.870 -7.538 1.00 0.00 C ATOM 274 CG LYS A 18 -1.203 7.220 -8.253 1.00 0.00 C ATOM 275 CD LYS A 18 -1.155 7.496 -9.757 1.00 0.00 C ATOM 276 CE LYS A 18 -2.211 6.675 -10.500 1.00 0.00 C ATOM 277 NZ LYS A 18 -1.571 5.605 -11.296 1.00 0.00 N ATOM 0 H LYS A 18 0.572 10.208 -8.797 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.339 9.281 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.858 7.857 -8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.240 7.292 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.194 6.144 -8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.136 7.603 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.319 8.558 -9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.164 7.255 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.908 6.237 -9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.791 7.325 -11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.302 5.058 -11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.923 6.029 -11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.037 4.975 -10.664 1.00 0.00 H new ATOM 291 N ASN A 19 -0.007 10.384 -5.006 1.00 0.00 N ATOM 292 CA ASN A 19 0.759 10.957 -3.911 1.00 0.00 C ATOM 293 C ASN A 19 0.324 10.307 -2.596 1.00 0.00 C ATOM 294 O ASN A 19 0.565 10.853 -1.521 1.00 0.00 O ATOM 295 CB ASN A 19 0.515 12.463 -3.798 1.00 0.00 C ATOM 296 CG ASN A 19 1.589 13.128 -2.934 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.754 12.767 -2.958 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.132 14.118 -2.172 1.00 0.00 N ATOM 0 H ASN A 19 -1.019 10.410 -4.878 1.00 0.00 H new ATOM 0 HA ASN A 19 1.816 10.777 -4.107 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.514 12.911 -4.792 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.469 12.644 -3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.770 14.626 -1.559 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.144 14.369 -2.201 1.00 0.00 H new ATOM 305 N LEU A 20 -0.307 9.149 -2.725 1.00 0.00 N ATOM 306 CA LEU A 20 -0.777 8.419 -1.560 1.00 0.00 C ATOM 307 C LEU A 20 -0.232 6.990 -1.605 1.00 0.00 C ATOM 308 O LEU A 20 -0.249 6.349 -2.654 1.00 0.00 O ATOM 309 CB LEU A 20 -2.302 8.493 -1.461 1.00 0.00 C ATOM 310 CG LEU A 20 -2.905 9.899 -1.428 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.346 9.889 -1.942 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.797 10.509 -0.030 1.00 0.00 C ATOM 0 H LEU A 20 -0.504 8.698 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.399 8.876 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.728 7.957 -2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.614 7.964 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.329 10.535 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.751 10.900 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.363 9.525 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.951 9.234 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.233 11.508 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.333 9.882 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.748 10.572 0.259 1.00 0.00 H new ATOM 324 N CYS A 21 0.238 6.534 -0.454 1.00 0.00 N ATOM 325 CA CYS A 21 0.787 5.193 -0.348 1.00 0.00 C ATOM 326 C CYS A 21 -0.220 4.320 0.403 1.00 0.00 C ATOM 327 O CYS A 21 -0.712 4.704 1.462 1.00 0.00 O ATOM 328 CB CYS A 21 2.158 5.195 0.331 1.00 0.00 C ATOM 329 SG CYS A 21 3.257 6.573 -0.163 1.00 0.00 S ATOM 0 H CYS A 21 0.250 7.070 0.414 1.00 0.00 H new ATOM 0 HA CYS A 21 0.949 4.784 -1.345 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.013 5.234 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.659 4.252 0.110 1.00 0.00 H new ATOM 334 N TYR A 22 -0.496 3.160 -0.176 1.00 0.00 N ATOM 335 CA TYR A 22 -1.436 2.229 0.425 1.00 0.00 C ATOM 336 C TYR A 22 -0.838 0.824 0.509 1.00 0.00 C ATOM 337 O TYR A 22 0.165 0.532 -0.141 1.00 0.00 O ATOM 338 CB TYR A 22 -2.651 2.197 -0.504 1.00 0.00 C ATOM 339 CG TYR A 22 -2.424 1.420 -1.801 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.345 0.042 -1.775 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.297 2.095 -2.998 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.131 -0.690 -2.996 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.083 1.364 -4.219 1.00 0.00 C ATOM 344 CZ TYR A 22 -2.010 0.008 -4.158 1.00 0.00 C ATOM 345 OH TYR A 22 -1.807 -0.684 -5.312 1.00 0.00 O ATOM 0 H TYR A 22 -0.085 2.844 -1.055 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.691 2.542 1.437 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.492 1.754 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.933 3.220 -0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.444 -0.487 -0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.358 3.173 -3.018 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.068 -1.768 -2.990 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.983 1.881 -5.162 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.741 -0.057 -6.062 1.00 0.00 H new ATOM 355 N LYS A 23 -1.477 -0.011 1.316 1.00 0.00 N ATOM 356 CA LYS A 23 -1.020 -1.378 1.493 1.00 0.00 C ATOM 357 C LYS A 23 -2.229 -2.292 1.706 1.00 0.00 C ATOM 358 O LYS A 23 -2.913 -2.195 2.723 1.00 0.00 O ATOM 359 CB LYS A 23 0.015 -1.456 2.616 1.00 0.00 C ATOM 360 CG LYS A 23 -0.490 -0.750 3.877 1.00 0.00 C ATOM 361 CD LYS A 23 0.628 -0.610 4.913 1.00 0.00 C ATOM 362 CE LYS A 23 0.479 0.688 5.708 1.00 0.00 C ATOM 363 NZ LYS A 23 1.148 0.569 7.023 1.00 0.00 N ATOM 0 H LYS A 23 -2.308 0.234 1.855 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.509 -1.728 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.234 -2.500 2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.948 -0.999 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.875 0.236 3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.319 -1.313 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.607 -1.462 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.596 -0.625 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.911 1.517 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.578 0.915 5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.457 0.742 7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.543 -0.387 7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.915 1.269 7.087 1.00 0.00 H new ATOM 377 N MET A 24 -2.455 -3.159 0.730 1.00 0.00 N ATOM 378 CA MET A 24 -3.570 -4.088 0.797 1.00 0.00 C ATOM 379 C MET A 24 -3.191 -5.340 1.592 1.00 0.00 C ATOM 380 O MET A 24 -2.169 -5.967 1.320 1.00 0.00 O ATOM 381 CB MET A 24 -3.986 -4.490 -0.619 1.00 0.00 C ATOM 382 CG MET A 24 -4.742 -3.353 -1.311 1.00 0.00 C ATOM 383 SD MET A 24 -4.341 -3.323 -3.050 1.00 0.00 S ATOM 384 CE MET A 24 -4.741 -5.006 -3.490 1.00 0.00 C ATOM 0 H MET A 24 -1.885 -3.238 -0.112 1.00 0.00 H new ATOM 0 HA MET A 24 -4.400 -3.595 1.303 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.102 -4.752 -1.201 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.616 -5.379 -0.579 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.816 -3.486 -1.179 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.480 -2.399 -0.853 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.876 -5.078 -4.569 1.00 0.00 H new ATOM 0 HE2 MET A 24 -3.930 -5.665 -3.181 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.662 -5.304 -2.989 1.00 0.00 H new ATOM 394 N PHE A 25 -4.037 -5.665 2.559 1.00 0.00 N ATOM 395 CA PHE A 25 -3.805 -6.830 3.395 1.00 0.00 C ATOM 396 C PHE A 25 -4.857 -7.910 3.137 1.00 0.00 C ATOM 397 O PHE A 25 -6.045 -7.695 3.374 1.00 0.00 O ATOM 398 CB PHE A 25 -3.914 -6.366 4.849 1.00 0.00 C ATOM 399 CG PHE A 25 -2.743 -5.500 5.316 1.00 0.00 C ATOM 400 CD1 PHE A 25 -1.557 -6.079 5.642 1.00 0.00 C ATOM 401 CD2 PHE A 25 -2.888 -4.150 5.404 1.00 0.00 C ATOM 402 CE1 PHE A 25 -0.469 -5.274 6.076 1.00 0.00 C ATOM 403 CE2 PHE A 25 -1.801 -3.346 5.838 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.615 -3.926 6.164 1.00 0.00 C ATOM 0 H PHE A 25 -4.884 -5.142 2.782 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.826 -7.255 3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.840 -5.804 4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.985 -7.241 5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.442 -7.150 5.571 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.830 -3.690 5.144 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.473 -5.734 6.336 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.916 -2.275 5.909 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.212 -3.314 6.493 1.00 0.00 H new ATOM 414 N MET A 26 -4.385 -9.049 2.652 1.00 0.00 N ATOM 415 CA MET A 26 -5.269 -10.163 2.358 1.00 0.00 C ATOM 416 C MET A 26 -5.464 -11.048 3.590 1.00 0.00 C ATOM 417 O MET A 26 -4.647 -11.027 4.510 1.00 0.00 O ATOM 418 CB MET A 26 -4.681 -10.996 1.218 1.00 0.00 C ATOM 419 CG MET A 26 -5.755 -11.345 0.184 1.00 0.00 C ATOM 420 SD MET A 26 -6.154 -13.082 0.284 1.00 0.00 S ATOM 421 CE MET A 26 -4.640 -13.786 -0.347 1.00 0.00 C ATOM 0 H MET A 26 -3.400 -9.224 2.455 1.00 0.00 H new ATOM 0 HA MET A 26 -6.240 -9.764 2.064 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.874 -10.443 0.737 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.245 -11.911 1.619 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.649 -10.747 0.360 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.401 -11.102 -0.818 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.853 -14.747 -0.815 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.205 -13.112 -1.085 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.936 -13.930 0.473 1.00 0.00 H new ATOM 431 N MET A 27 -6.550 -11.806 3.569 1.00 0.00 N ATOM 432 CA MET A 27 -6.863 -12.698 4.673 1.00 0.00 C ATOM 433 C MET A 27 -6.909 -11.935 5.998 1.00 0.00 C ATOM 434 O MET A 27 -7.981 -11.539 6.454 1.00 0.00 O ATOM 435 CB MET A 27 -5.804 -13.800 4.755 1.00 0.00 C ATOM 436 CG MET A 27 -6.095 -14.916 3.750 1.00 0.00 C ATOM 437 SD MET A 27 -6.223 -16.482 4.597 1.00 0.00 S ATOM 438 CE MET A 27 -7.857 -16.323 5.299 1.00 0.00 C ATOM 0 H MET A 27 -7.225 -11.821 2.804 1.00 0.00 H new ATOM 0 HA MET A 27 -7.844 -13.137 4.494 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.818 -13.377 4.559 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.780 -14.212 5.764 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.022 -14.704 3.217 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.302 -14.961 3.004 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.099 -17.222 5.866 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.886 -15.458 5.961 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.586 -16.192 4.499 1.00 0.00 H new ATOM 448 N SER A 28 -5.733 -11.751 6.580 1.00 0.00 N ATOM 449 CA SER A 28 -5.625 -11.041 7.844 1.00 0.00 C ATOM 450 C SER A 28 -4.434 -10.083 7.805 1.00 0.00 C ATOM 451 O SER A 28 -3.315 -10.489 7.496 1.00 0.00 O ATOM 452 CB SER A 28 -5.484 -12.018 9.012 1.00 0.00 C ATOM 453 OG SER A 28 -6.721 -12.649 9.334 1.00 0.00 O ATOM 0 H SER A 28 -4.846 -12.081 6.200 1.00 0.00 H new ATOM 0 HA SER A 28 -6.539 -10.467 7.995 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.744 -12.778 8.761 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.110 -11.486 9.887 1.00 0.00 H new ATOM 0 HG SER A 28 -6.588 -13.266 10.083 1.00 0.00 H new ATOM 459 N ASP A 29 -4.714 -8.828 8.126 1.00 0.00 N ATOM 460 CA ASP A 29 -3.680 -7.808 8.133 1.00 0.00 C ATOM 461 C ASP A 29 -2.749 -8.040 9.325 1.00 0.00 C ATOM 462 O ASP A 29 -1.602 -7.596 9.316 1.00 0.00 O ATOM 463 CB ASP A 29 -4.286 -6.410 8.270 1.00 0.00 C ATOM 464 CG ASP A 29 -5.520 -6.325 9.169 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.504 -7.028 8.851 1.00 0.00 O ATOM 466 OD2 ASP A 29 -5.453 -5.560 10.155 1.00 0.00 O ATOM 0 H ASP A 29 -5.643 -8.495 8.383 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.135 -7.873 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.523 -5.737 8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.553 -6.047 7.277 1.00 0.00 H new ATOM 471 N LEU A 30 -3.279 -8.733 10.322 1.00 0.00 N ATOM 472 CA LEU A 30 -2.510 -9.029 11.518 1.00 0.00 C ATOM 473 C LEU A 30 -1.093 -9.447 11.119 1.00 0.00 C ATOM 474 O LEU A 30 -0.148 -9.258 11.882 1.00 0.00 O ATOM 475 CB LEU A 30 -3.236 -10.063 12.380 1.00 0.00 C ATOM 476 CG LEU A 30 -4.306 -9.515 13.327 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.186 -10.641 13.873 1.00 0.00 C ATOM 478 CD2 LEU A 30 -3.674 -8.687 14.449 1.00 0.00 C ATOM 0 H LEU A 30 -4.232 -9.098 10.326 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.417 -8.139 12.140 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.703 -10.793 11.720 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.494 -10.598 12.973 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.954 -8.847 12.759 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.937 -10.223 14.543 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.680 -11.150 13.046 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.568 -11.353 14.420 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.456 -8.309 15.108 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.989 -9.312 15.021 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.126 -7.849 14.018 1.00 0.00 H new ATOM 490 N THR A 31 -0.991 -10.009 9.923 1.00 0.00 N ATOM 491 CA THR A 31 0.293 -10.456 9.414 1.00 0.00 C ATOM 492 C THR A 31 0.791 -9.511 8.317 1.00 0.00 C ATOM 493 O THR A 31 0.092 -8.572 7.939 1.00 0.00 O ATOM 494 CB THR A 31 0.137 -11.904 8.943 1.00 0.00 C ATOM 495 OG1 THR A 31 -0.807 -11.822 7.878 1.00 0.00 O ATOM 496 CG2 THR A 31 -0.550 -12.788 9.985 1.00 0.00 C ATOM 0 H THR A 31 -1.777 -10.165 9.292 1.00 0.00 H new ATOM 0 HA THR A 31 1.056 -10.432 10.192 1.00 0.00 H new ATOM 0 HB THR A 31 1.118 -12.317 8.708 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.966 -12.717 7.512 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.636 -13.804 9.600 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.040 -12.795 10.902 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.545 -12.395 10.197 1.00 0.00 H new ATOM 504 N ILE A 32 1.993 -9.792 7.840 1.00 0.00 N ATOM 505 CA ILE A 32 2.593 -8.978 6.795 1.00 0.00 C ATOM 506 C ILE A 32 1.641 -8.909 5.600 1.00 0.00 C ATOM 507 O ILE A 32 0.898 -9.854 5.338 1.00 0.00 O ATOM 508 CB ILE A 32 3.987 -9.501 6.442 1.00 0.00 C ATOM 509 CG1 ILE A 32 5.074 -8.592 7.016 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.134 -9.689 4.930 1.00 0.00 C ATOM 511 CD1 ILE A 32 6.176 -9.414 7.689 1.00 0.00 C ATOM 0 H ILE A 32 2.569 -10.572 8.157 1.00 0.00 H new ATOM 0 HA ILE A 32 2.741 -7.956 7.145 1.00 0.00 H new ATOM 0 HB ILE A 32 4.112 -10.481 6.902 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.503 -7.984 6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.634 -7.905 7.739 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.133 -10.061 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.392 -10.406 4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.981 -8.734 4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.937 -8.744 8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.747 -10.002 8.501 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.630 -10.082 6.957 1.00 0.00 H new ATOM 523 N PRO A 33 1.692 -7.781 4.907 1.00 0.00 N ATOM 524 CA PRO A 33 0.775 -7.545 3.747 1.00 0.00 C ATOM 525 C PRO A 33 0.874 -8.447 2.468 1.00 0.00 C ATOM 526 O PRO A 33 1.599 -9.440 2.460 1.00 0.00 O ATOM 527 CB PRO A 33 1.011 -6.050 3.437 1.00 0.00 C ATOM 528 CG PRO A 33 2.428 -5.741 3.923 1.00 0.00 C ATOM 529 CD PRO A 33 2.613 -6.639 5.145 1.00 0.00 C ATOM 0 HA PRO A 33 -0.235 -7.831 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.912 -5.852 2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.278 -5.425 3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.169 -5.959 3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.539 -4.688 4.183 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.646 -6.974 5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.364 -6.113 6.066 1.00 0.00 H new ATOM 537 N VAL A 34 0.133 -8.050 1.445 1.00 0.00 N ATOM 538 CA VAL A 34 0.127 -8.790 0.193 1.00 0.00 C ATOM 539 C VAL A 34 0.562 -7.864 -0.944 1.00 0.00 C ATOM 540 O VAL A 34 1.334 -8.264 -1.815 1.00 0.00 O ATOM 541 CB VAL A 34 -1.250 -9.415 -0.037 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.470 -10.614 0.886 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.360 -8.377 0.139 1.00 0.00 C ATOM 0 H VAL A 34 -0.468 -7.226 1.456 1.00 0.00 H new ATOM 0 HA VAL A 34 0.841 -9.613 0.231 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.286 -9.774 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.457 -11.039 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.708 -11.368 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.403 -10.291 1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.328 -8.848 -0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.324 -7.974 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.219 -7.569 -0.579 1.00 0.00 H new ATOM 553 N LYS A 35 0.049 -6.643 -0.900 1.00 0.00 N ATOM 554 CA LYS A 35 0.374 -5.657 -1.916 1.00 0.00 C ATOM 555 C LYS A 35 0.437 -4.271 -1.274 1.00 0.00 C ATOM 556 O LYS A 35 -0.228 -4.016 -0.270 1.00 0.00 O ATOM 557 CB LYS A 35 -0.607 -5.750 -3.087 1.00 0.00 C ATOM 558 CG LYS A 35 -0.207 -6.868 -4.052 1.00 0.00 C ATOM 559 CD LYS A 35 -1.055 -6.824 -5.324 1.00 0.00 C ATOM 560 CE LYS A 35 -0.173 -6.669 -6.565 1.00 0.00 C ATOM 561 NZ LYS A 35 0.068 -7.986 -7.197 1.00 0.00 N ATOM 0 H LYS A 35 -0.590 -6.314 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 35 1.358 -5.857 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.613 -5.934 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.635 -4.799 -3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.847 -6.770 -4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.327 -7.835 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.645 -7.737 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.759 -5.994 -5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.653 -5.999 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.777 -6.212 -6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.668 -7.863 -8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.546 -8.614 -6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.840 -8.407 -7.479 1.00 0.00 H new ATOM 575 N ARG A 36 1.240 -3.408 -1.880 1.00 0.00 N ATOM 576 CA ARG A 36 1.397 -2.053 -1.379 1.00 0.00 C ATOM 577 C ARG A 36 2.106 -1.182 -2.419 1.00 0.00 C ATOM 578 O ARG A 36 3.159 -1.557 -2.934 1.00 0.00 O ATOM 579 CB ARG A 36 2.201 -2.036 -0.078 1.00 0.00 C ATOM 580 CG ARG A 36 3.558 -2.718 -0.263 1.00 0.00 C ATOM 581 CD ARG A 36 3.679 -3.952 0.634 1.00 0.00 C ATOM 582 NE ARG A 36 3.553 -3.559 2.055 1.00 0.00 N ATOM 583 CZ ARG A 36 4.525 -2.962 2.759 1.00 0.00 C ATOM 584 NH1 ARG A 36 5.700 -2.685 2.177 1.00 0.00 N ATOM 585 NH2 ARG A 36 4.321 -2.643 4.044 1.00 0.00 N ATOM 0 H ARG A 36 1.789 -3.621 -2.713 1.00 0.00 H new ATOM 0 HA ARG A 36 0.401 -1.655 -1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.349 -1.007 0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.640 -2.542 0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.684 -3.009 -1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.357 -2.015 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.905 -4.675 0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.639 -4.440 0.467 1.00 0.00 H new ATOM 0 HE ARG A 36 2.671 -3.755 2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.854 -2.928 1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.440 -2.231 2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.426 -2.854 4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.060 -2.189 4.580 1.00 0.00 H new ATOM 599 N GLY A 37 1.499 -0.037 -2.697 1.00 0.00 N ATOM 600 CA GLY A 37 2.059 0.890 -3.665 1.00 0.00 C ATOM 601 C GLY A 37 1.480 2.294 -3.479 1.00 0.00 C ATOM 602 O GLY A 37 1.010 2.637 -2.395 1.00 0.00 O ATOM 0 H GLY A 37 0.625 0.269 -2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.143 0.923 -3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.850 0.537 -4.675 1.00 0.00 H new ATOM 606 N CYS A 38 1.531 3.068 -4.553 1.00 0.00 N ATOM 607 CA CYS A 38 1.017 4.426 -4.522 1.00 0.00 C ATOM 608 C CYS A 38 -0.352 4.438 -5.203 1.00 0.00 C ATOM 609 O CYS A 38 -0.703 3.499 -5.917 1.00 0.00 O ATOM 610 CB CYS A 38 1.987 5.414 -5.176 1.00 0.00 C ATOM 611 SG CYS A 38 3.750 5.148 -4.759 1.00 0.00 S ATOM 0 H CYS A 38 1.921 2.780 -5.451 1.00 0.00 H new ATOM 0 HA CYS A 38 0.910 4.752 -3.487 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.871 5.353 -6.258 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.707 6.425 -4.882 1.00 0.00 H new ATOM 616 N ILE A 39 -1.091 5.511 -4.958 1.00 0.00 N ATOM 617 CA ILE A 39 -2.415 5.656 -5.538 1.00 0.00 C ATOM 618 C ILE A 39 -2.873 7.108 -5.395 1.00 0.00 C ATOM 619 O ILE A 39 -2.168 7.930 -4.812 1.00 0.00 O ATOM 620 CB ILE A 39 -3.383 4.642 -4.925 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.613 4.451 -5.815 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.764 5.042 -3.498 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.040 2.982 -5.852 1.00 0.00 C ATOM 0 H ILE A 39 -0.797 6.288 -4.366 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.390 5.433 -6.605 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.877 3.679 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.434 5.063 -5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.392 4.795 -6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.453 4.305 -3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.867 5.086 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.244 6.020 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.916 2.874 -6.491 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.225 2.376 -6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.283 2.648 -4.843 1.00 0.00 H new ATOM 635 N ASP A 40 -4.052 7.380 -5.936 1.00 0.00 N ATOM 636 CA ASP A 40 -4.612 8.719 -5.875 1.00 0.00 C ATOM 637 C ASP A 40 -5.870 8.702 -5.004 1.00 0.00 C ATOM 638 O ASP A 40 -6.136 9.655 -4.273 1.00 0.00 O ATOM 639 CB ASP A 40 -5.009 9.214 -7.268 1.00 0.00 C ATOM 640 CG ASP A 40 -5.823 10.510 -7.286 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.436 11.433 -6.539 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.813 10.546 -8.047 1.00 0.00 O ATOM 0 H ASP A 40 -4.634 6.696 -6.418 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.854 9.383 -5.458 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.103 9.363 -7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.586 8.433 -7.764 1.00 0.00 H new ATOM 647 N VAL A 41 -6.609 7.608 -5.109 1.00 0.00 N ATOM 648 CA VAL A 41 -7.832 7.454 -4.340 1.00 0.00 C ATOM 649 C VAL A 41 -7.851 6.069 -3.691 1.00 0.00 C ATOM 650 O VAL A 41 -7.588 5.066 -4.353 1.00 0.00 O ATOM 651 CB VAL A 41 -9.049 7.712 -5.233 1.00 0.00 C ATOM 652 CG1 VAL A 41 -9.163 6.644 -6.323 1.00 0.00 C ATOM 653 CG2 VAL A 41 -10.330 7.789 -4.403 1.00 0.00 C ATOM 0 H VAL A 41 -6.384 6.819 -5.715 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.872 8.190 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.910 8.676 -5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.035 6.849 -6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.266 6.658 -6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.270 5.663 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -11.179 7.973 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.478 6.848 -3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.248 8.602 -3.681 1.00 0.00 H new ATOM 663 N CYS A 42 -8.162 6.059 -2.403 1.00 0.00 N ATOM 664 CA CYS A 42 -8.217 4.813 -1.657 1.00 0.00 C ATOM 665 C CYS A 42 -9.351 3.959 -2.230 1.00 0.00 C ATOM 666 O CYS A 42 -10.510 4.373 -2.221 1.00 0.00 O ATOM 667 CB CYS A 42 -8.392 5.059 -0.156 1.00 0.00 C ATOM 668 SG CYS A 42 -7.884 3.664 0.914 1.00 0.00 S ATOM 0 H CYS A 42 -8.378 6.893 -1.857 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.272 4.281 -1.764 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.816 5.941 0.123 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.440 5.287 0.041 1.00 0.00 H new ATOM 673 N PRO A 43 -8.978 2.785 -2.716 1.00 0.00 N ATOM 674 CA PRO A 43 -9.985 1.718 -3.016 1.00 0.00 C ATOM 675 C PRO A 43 -10.930 1.187 -1.885 1.00 0.00 C ATOM 676 O PRO A 43 -10.666 1.397 -0.701 1.00 0.00 O ATOM 677 CB PRO A 43 -9.111 0.601 -3.632 1.00 0.00 C ATOM 678 CG PRO A 43 -7.810 1.280 -4.065 1.00 0.00 C ATOM 679 CD PRO A 43 -7.593 2.379 -3.025 1.00 0.00 C ATOM 0 HA PRO A 43 -10.759 2.143 -3.655 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.917 -0.189 -2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.611 0.137 -4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.979 0.575 -4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.893 1.694 -5.070 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.070 2.009 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.004 3.206 -3.422 1.00 0.00 H new ATOM 687 N LYS A 44 -11.992 0.518 -2.309 1.00 0.00 N ATOM 688 CA LYS A 44 -12.954 -0.033 -1.370 1.00 0.00 C ATOM 689 C LYS A 44 -12.365 -1.284 -0.717 1.00 0.00 C ATOM 690 O LYS A 44 -11.692 -2.075 -1.377 1.00 0.00 O ATOM 691 CB LYS A 44 -14.298 -0.273 -2.060 1.00 0.00 C ATOM 692 CG LYS A 44 -14.922 1.045 -2.522 1.00 0.00 C ATOM 693 CD LYS A 44 -15.539 0.902 -3.914 1.00 0.00 C ATOM 694 CE LYS A 44 -14.462 0.949 -5.000 1.00 0.00 C ATOM 695 NZ LYS A 44 -15.080 1.070 -6.339 1.00 0.00 N ATOM 0 H LYS A 44 -12.207 0.345 -3.291 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.156 0.679 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.158 -0.933 -2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.977 -0.780 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.687 1.358 -1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.162 1.826 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.085 -0.039 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.262 1.701 -4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.796 1.793 -4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.852 0.047 -4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.335 1.101 -7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.698 0.251 -6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.643 1.944 -6.384 1.00 0.00 H new ATOM 709 N ASN A 45 -12.639 -1.426 0.572 1.00 0.00 N ATOM 710 CA ASN A 45 -12.144 -2.569 1.321 1.00 0.00 C ATOM 711 C ASN A 45 -12.941 -3.815 0.927 1.00 0.00 C ATOM 712 O ASN A 45 -13.764 -3.767 0.014 1.00 0.00 O ATOM 713 CB ASN A 45 -12.314 -2.355 2.826 1.00 0.00 C ATOM 714 CG ASN A 45 -11.074 -1.693 3.429 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.378 -0.920 2.790 1.00 0.00 O ATOM 716 ND2 ASN A 45 -10.837 -2.037 4.692 1.00 0.00 N ATOM 0 H ASN A 45 -13.197 -0.769 1.117 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.086 -2.691 1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -13.189 -1.733 3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.494 -3.312 3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.033 -1.648 5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.460 -2.689 5.168 1.00 0.00 H new ATOM 723 N SER A 46 -12.668 -4.901 1.636 1.00 0.00 N ATOM 724 CA SER A 46 -13.349 -6.156 1.372 1.00 0.00 C ATOM 725 C SER A 46 -13.452 -6.976 2.659 1.00 0.00 C ATOM 726 O SER A 46 -13.019 -6.529 3.721 1.00 0.00 O ATOM 727 CB SER A 46 -12.624 -6.959 0.289 1.00 0.00 C ATOM 728 OG SER A 46 -11.278 -7.253 0.654 1.00 0.00 O ATOM 0 H SER A 46 -11.985 -4.937 2.392 1.00 0.00 H new ATOM 0 HA SER A 46 -14.352 -5.931 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.162 -7.889 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.632 -6.398 -0.645 1.00 0.00 H new ATOM 0 HG SER A 46 -10.891 -6.484 1.123 1.00 0.00 H new ATOM 734 N LEU A 47 -14.029 -8.162 2.524 1.00 0.00 N ATOM 735 CA LEU A 47 -14.194 -9.047 3.664 1.00 0.00 C ATOM 736 C LEU A 47 -13.061 -10.076 3.675 1.00 0.00 C ATOM 737 O LEU A 47 -12.971 -10.897 4.586 1.00 0.00 O ATOM 738 CB LEU A 47 -15.591 -9.672 3.657 1.00 0.00 C ATOM 739 CG LEU A 47 -15.685 -11.109 4.176 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.112 -11.438 4.620 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.164 -12.102 3.137 1.00 0.00 C ATOM 0 H LEU A 47 -14.388 -8.530 1.643 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.124 -8.486 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -16.251 -9.046 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.972 -9.650 2.636 1.00 0.00 H new ATOM 0 HG LEU A 47 -15.046 -11.198 5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -17.152 -12.464 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.411 -10.758 5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.791 -11.326 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.242 -13.115 3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.757 -12.020 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.121 -11.880 2.912 1.00 0.00 H new ATOM 753 N LEU A 48 -12.223 -9.996 2.651 1.00 0.00 N ATOM 754 CA LEU A 48 -11.099 -10.908 2.532 1.00 0.00 C ATOM 755 C LEU A 48 -9.816 -10.106 2.310 1.00 0.00 C ATOM 756 O LEU A 48 -8.758 -10.676 2.049 1.00 0.00 O ATOM 757 CB LEU A 48 -11.368 -11.951 1.444 1.00 0.00 C ATOM 758 CG LEU A 48 -10.811 -13.351 1.704 1.00 0.00 C ATOM 759 CD1 LEU A 48 -9.304 -13.303 1.963 1.00 0.00 C ATOM 760 CD2 LEU A 48 -11.566 -14.038 2.843 1.00 0.00 C ATOM 0 H LEU A 48 -12.301 -9.314 1.897 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.967 -11.471 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.446 -12.031 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.951 -11.584 0.506 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.964 -13.951 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.934 -14.312 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.799 -12.882 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.104 -12.681 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.150 -15.032 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.466 -13.448 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.620 -14.125 2.580 1.00 0.00 H new ATOM 772 N VAL A 49 -9.952 -8.792 2.421 1.00 0.00 N ATOM 773 CA VAL A 49 -8.817 -7.904 2.237 1.00 0.00 C ATOM 774 C VAL A 49 -9.047 -6.616 3.030 1.00 0.00 C ATOM 775 O VAL A 49 -10.170 -6.329 3.441 1.00 0.00 O ATOM 776 CB VAL A 49 -8.586 -7.654 0.744 1.00 0.00 C ATOM 777 CG1 VAL A 49 -7.111 -7.365 0.459 1.00 0.00 C ATOM 778 CG2 VAL A 49 -9.086 -8.832 -0.093 1.00 0.00 C ATOM 0 H VAL A 49 -10.831 -8.322 2.636 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.907 -8.363 2.622 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.161 -6.773 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.974 -7.191 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.800 -6.480 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.507 -8.218 0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.910 -8.629 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.551 -9.737 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.154 -8.972 0.077 1.00 0.00 H new ATOM 788 N LYS A 50 -7.965 -5.876 3.222 1.00 0.00 N ATOM 789 CA LYS A 50 -8.035 -4.626 3.959 1.00 0.00 C ATOM 790 C LYS A 50 -7.051 -3.625 3.352 1.00 0.00 C ATOM 791 O LYS A 50 -5.844 -3.863 3.342 1.00 0.00 O ATOM 792 CB LYS A 50 -7.819 -4.872 5.453 1.00 0.00 C ATOM 793 CG LYS A 50 -9.146 -5.151 6.162 1.00 0.00 C ATOM 794 CD LYS A 50 -9.564 -3.964 7.031 1.00 0.00 C ATOM 795 CE LYS A 50 -9.827 -4.406 8.473 1.00 0.00 C ATOM 796 NZ LYS A 50 -11.173 -5.010 8.592 1.00 0.00 N ATOM 0 H LYS A 50 -7.035 -6.118 2.880 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.029 -4.188 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.144 -5.717 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.339 -4.003 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.921 -5.356 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.051 -6.043 6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.782 -3.205 7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.462 -3.505 6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.070 -5.126 8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.745 -3.550 9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.336 -5.304 9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.893 -4.312 8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.238 -5.839 7.967 1.00 0.00 H new ATOM 810 N TYR A 51 -7.602 -2.525 2.860 1.00 0.00 N ATOM 811 CA TYR A 51 -6.787 -1.487 2.252 1.00 0.00 C ATOM 812 C TYR A 51 -6.401 -0.422 3.279 1.00 0.00 C ATOM 813 O TYR A 51 -7.260 0.112 3.980 1.00 0.00 O ATOM 814 CB TYR A 51 -7.660 -0.843 1.172 1.00 0.00 C ATOM 815 CG TYR A 51 -7.706 -1.629 -0.141 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.240 -2.902 -0.165 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.213 -1.065 -1.299 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.282 -3.640 -1.400 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.256 -1.804 -2.534 1.00 0.00 C ATOM 820 CZ TYR A 51 -7.789 -3.056 -2.524 1.00 0.00 C ATOM 821 OH TYR A 51 -7.829 -3.753 -3.690 1.00 0.00 O ATOM 0 H TYR A 51 -8.603 -2.330 2.870 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.866 -1.909 1.849 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.675 -0.736 1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.288 0.161 0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.626 -3.344 0.742 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.795 -0.069 -1.279 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.696 -4.637 -1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.874 -1.374 -3.448 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.443 -3.210 -4.409 1.00 0.00 H new ATOM 831 N VAL A 52 -5.107 -0.143 3.338 1.00 0.00 N ATOM 832 CA VAL A 52 -4.596 0.849 4.268 1.00 0.00 C ATOM 833 C VAL A 52 -3.865 1.944 3.488 1.00 0.00 C ATOM 834 O VAL A 52 -2.689 1.796 3.158 1.00 0.00 O ATOM 835 CB VAL A 52 -3.713 0.175 5.321 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.441 1.118 6.494 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.341 -1.135 5.803 1.00 0.00 C ATOM 0 H VAL A 52 -4.397 -0.587 2.756 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.416 1.324 4.807 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.756 -0.063 4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.812 0.614 7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.932 2.012 6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.385 1.401 6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.695 -1.595 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.317 -0.930 6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.459 -1.814 4.959 1.00 0.00 H new ATOM 847 N CYS A 53 -4.591 3.019 3.218 1.00 0.00 N ATOM 848 CA CYS A 53 -4.027 4.138 2.484 1.00 0.00 C ATOM 849 C CYS A 53 -3.496 5.157 3.495 1.00 0.00 C ATOM 850 O CYS A 53 -3.985 5.233 4.620 1.00 0.00 O ATOM 851 CB CYS A 53 -5.047 4.760 1.528 1.00 0.00 C ATOM 852 SG CYS A 53 -5.852 3.577 0.388 1.00 0.00 S ATOM 0 H CYS A 53 -5.565 3.138 3.495 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.207 3.788 1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.818 5.258 2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.549 5.529 0.938 1.00 0.00 H new ATOM 857 N CYS A 54 -2.502 5.915 3.056 1.00 0.00 N ATOM 858 CA CYS A 54 -1.900 6.926 3.908 1.00 0.00 C ATOM 859 C CYS A 54 -1.282 8.003 3.013 1.00 0.00 C ATOM 860 O CYS A 54 -1.250 7.857 1.793 1.00 0.00 O ATOM 861 CB CYS A 54 -0.869 6.320 4.864 1.00 0.00 C ATOM 862 SG CYS A 54 -0.441 4.573 4.523 1.00 0.00 S ATOM 0 H CYS A 54 -2.099 5.849 2.121 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.666 7.375 4.540 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.041 6.918 4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.251 6.394 5.882 1.00 0.00 H new ATOM 867 N ASN A 55 -0.808 9.060 3.656 1.00 0.00 N ATOM 868 CA ASN A 55 -0.194 10.162 2.934 1.00 0.00 C ATOM 869 C ASN A 55 1.144 10.513 3.588 1.00 0.00 C ATOM 870 O ASN A 55 1.640 11.627 3.435 1.00 0.00 O ATOM 871 CB ASN A 55 -1.081 11.408 2.972 1.00 0.00 C ATOM 872 CG ASN A 55 -1.047 12.063 4.354 1.00 0.00 C ATOM 873 OD1 ASN A 55 -0.862 11.415 5.371 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.236 13.378 4.334 1.00 0.00 N ATOM 0 H ASN A 55 -0.837 9.177 4.669 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.055 9.850 1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.745 12.121 2.219 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.106 11.137 2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.232 13.907 5.206 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.385 13.858 3.447 1.00 0.00 H new ATOM 881 N THR A 56 1.688 9.540 4.306 1.00 0.00 N ATOM 882 CA THR A 56 2.959 9.733 4.985 1.00 0.00 C ATOM 883 C THR A 56 4.065 8.946 4.279 1.00 0.00 C ATOM 884 O THR A 56 3.858 7.802 3.876 1.00 0.00 O ATOM 885 CB THR A 56 2.774 9.341 6.452 1.00 0.00 C ATOM 886 OG1 THR A 56 2.247 8.018 6.394 1.00 0.00 O ATOM 887 CG2 THR A 56 1.673 10.151 7.141 1.00 0.00 C ATOM 0 H THR A 56 1.272 8.617 4.432 1.00 0.00 H new ATOM 0 HA THR A 56 3.273 10.776 4.950 1.00 0.00 H new ATOM 0 HB THR A 56 3.714 9.480 6.986 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.098 7.685 7.304 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.583 9.833 8.180 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.925 11.211 7.106 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.725 9.987 6.628 1.00 0.00 H new ATOM 895 N ASP A 57 5.216 9.589 4.152 1.00 0.00 N ATOM 896 CA ASP A 57 6.355 8.965 3.503 1.00 0.00 C ATOM 897 C ASP A 57 6.756 7.710 4.283 1.00 0.00 C ATOM 898 O ASP A 57 7.087 7.790 5.465 1.00 0.00 O ATOM 899 CB ASP A 57 7.559 9.907 3.474 1.00 0.00 C ATOM 900 CG ASP A 57 7.259 11.323 2.978 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.002 11.456 1.762 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.293 12.241 3.825 1.00 0.00 O ATOM 0 H ASP A 57 5.384 10.537 4.488 1.00 0.00 H new ATOM 0 HA ASP A 57 6.066 8.718 2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.976 9.971 4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.328 9.470 2.837 1.00 0.00 H new ATOM 907 N ARG A 58 6.714 6.582 3.589 1.00 0.00 N ATOM 908 CA ARG A 58 7.068 5.313 4.203 1.00 0.00 C ATOM 909 C ARG A 58 5.982 4.878 5.190 1.00 0.00 C ATOM 910 O ARG A 58 6.286 4.369 6.267 1.00 0.00 O ATOM 911 CB ARG A 58 8.406 5.412 4.938 1.00 0.00 C ATOM 912 CG ARG A 58 9.369 6.344 4.202 1.00 0.00 C ATOM 913 CD ARG A 58 10.816 6.078 4.620 1.00 0.00 C ATOM 914 NE ARG A 58 11.257 4.761 4.108 1.00 0.00 N ATOM 915 CZ ARG A 58 12.442 4.204 4.390 1.00 0.00 C ATOM 916 NH1 ARG A 58 13.312 4.845 5.181 1.00 0.00 N ATOM 917 NH2 ARG A 58 12.757 3.004 3.881 1.00 0.00 N ATOM 0 H ARG A 58 6.441 6.520 2.608 1.00 0.00 H new ATOM 0 HA ARG A 58 7.157 4.573 3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.242 5.779 5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.850 4.421 5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.266 6.203 3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.110 7.381 4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.465 6.864 4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.900 6.102 5.707 1.00 0.00 H new ATOM 0 HE ARG A 58 10.618 4.245 3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.072 5.757 5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.214 4.421 5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.094 2.515 3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.659 2.580 4.096 1.00 0.00 H new ATOM 931 N CYS A 59 4.739 5.094 4.785 1.00 0.00 N ATOM 932 CA CYS A 59 3.607 4.731 5.620 1.00 0.00 C ATOM 933 C CYS A 59 3.431 3.213 5.556 1.00 0.00 C ATOM 934 O CYS A 59 3.063 2.585 6.548 1.00 0.00 O ATOM 935 CB CYS A 59 2.335 5.471 5.200 1.00 0.00 C ATOM 936 SG CYS A 59 1.426 4.706 3.809 1.00 0.00 S ATOM 0 H CYS A 59 4.491 5.516 3.890 1.00 0.00 H new ATOM 0 HA CYS A 59 3.800 5.030 6.650 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.668 5.535 6.060 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.600 6.492 4.925 1.00 0.00 H new ATOM 941 N ASN A 60 3.702 2.666 4.380 1.00 0.00 N ATOM 942 CA ASN A 60 3.578 1.233 4.175 1.00 0.00 C ATOM 943 C ASN A 60 4.908 0.556 4.518 1.00 0.00 C ATOM 944 O ASN A 60 5.256 0.424 5.691 1.00 0.00 O ATOM 945 CB ASN A 60 3.248 0.912 2.716 1.00 0.00 C ATOM 946 CG ASN A 60 4.440 1.210 1.805 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.510 1.596 2.246 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.197 1.011 0.513 1.00 0.00 N ATOM 0 H ASN A 60 4.007 3.189 3.559 1.00 0.00 H new ATOM 0 HA ASN A 60 2.775 0.869 4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.970 -0.138 2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.386 1.499 2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.929 1.183 -0.176 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.278 0.687 0.211 1.00 0.00 H new TER 955 ASN A 60