USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 379 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 36 THR OG1 : rot 82:sc= 1.17 USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.474 (180deg=0.196!) USER MOD Single : A 2 LYS NZ :NH3+ -107:sc= -1.72! (180deg=-4.22!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.355 F(o=-1.9,f=-0.36) USER MOD Single : A 14 TYR OH : rot 107:sc= 0.543 USER MOD Single : A 20 SER OG : rot 35:sc= 1.46 USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.0602 (180deg=-0.394) USER MOD Single : A 24 LYS NZ :NH3+ -137:sc= -2.34! (180deg=-5.26!) USER MOD Single : A 25 ASN : amide:sc= 0.0458 X(o=0.046,f=0) USER MOD Single : A 30 THR OG1 : rot -141:sc= 0.13 USER MOD Single : A 31 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= -0.887! (180deg=-4.52!) USER MOD Single : A 43 SER OG : rot 180:sc= -1.78 USER MOD Single : A 47 THR OG1 : rot 127:sc= 0.135 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.727 12.601 6.396 1.00 0.00 N ATOM 2 CA MET A 1 -5.373 12.492 5.780 1.00 0.00 C ATOM 3 C MET A 1 -5.481 12.069 4.303 1.00 0.00 C ATOM 4 O MET A 1 -4.526 11.592 3.719 1.00 0.00 O ATOM 5 CB MET A 1 -4.525 11.453 6.573 1.00 0.00 C ATOM 6 CG MET A 1 -5.144 10.035 6.505 1.00 0.00 C ATOM 7 SD MET A 1 -6.823 9.797 7.142 1.00 0.00 S ATOM 8 CE MET A 1 -6.408 9.594 8.893 1.00 0.00 C ATOM 0 H1 MET A 1 -6.635 12.920 7.382 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.297 13.287 5.862 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.194 11.672 6.375 1.00 0.00 H new ATOM 0 HA MET A 1 -4.886 13.466 5.822 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.512 11.427 6.171 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.447 11.766 7.614 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.137 9.719 5.462 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.484 9.358 7.048 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.321 9.433 9.467 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.748 8.735 9.013 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.905 10.491 9.254 1.00 0.00 H new ATOM 20 N LYS A 2 -6.652 12.264 3.747 1.00 0.00 N ATOM 21 CA LYS A 2 -6.894 11.898 2.319 1.00 0.00 C ATOM 22 C LYS A 2 -6.410 13.024 1.390 1.00 0.00 C ATOM 23 O LYS A 2 -7.186 13.810 0.881 1.00 0.00 O ATOM 24 CB LYS A 2 -8.406 11.643 2.123 1.00 0.00 C ATOM 25 CG LYS A 2 -8.869 10.514 3.077 1.00 0.00 C ATOM 26 CD LYS A 2 -10.315 10.058 2.757 1.00 0.00 C ATOM 27 CE LYS A 2 -10.447 9.539 1.301 1.00 0.00 C ATOM 28 NZ LYS A 2 -9.428 8.491 1.011 1.00 0.00 N ATOM 0 H LYS A 2 -7.457 12.665 4.228 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.337 10.995 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.968 12.555 2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.607 11.365 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.191 9.664 2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.816 10.863 4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.610 9.271 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.001 10.891 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.446 9.132 1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.329 10.368 0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.695 8.883 0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.992 8.175 1.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.885 7.683 0.543 1.00 0.00 H new ATOM 42 N ALA A 3 -5.113 13.047 1.209 1.00 0.00 N ATOM 43 CA ALA A 3 -4.432 14.049 0.351 1.00 0.00 C ATOM 44 C ALA A 3 -2.940 13.702 0.322 1.00 0.00 C ATOM 45 O ALA A 3 -2.076 14.491 0.655 1.00 0.00 O ATOM 46 CB ALA A 3 -4.649 15.473 0.932 1.00 0.00 C ATOM 0 H ALA A 3 -4.477 12.379 1.644 1.00 0.00 H new ATOM 0 HA ALA A 3 -4.839 14.032 -0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.147 16.205 0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.716 15.693 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.236 15.522 1.940 1.00 0.00 H new ATOM 52 N CYS A 4 -2.707 12.486 -0.096 1.00 0.00 N ATOM 53 CA CYS A 4 -1.329 11.934 -0.203 1.00 0.00 C ATOM 54 C CYS A 4 -0.657 12.391 -1.501 1.00 0.00 C ATOM 55 O CYS A 4 -1.306 12.879 -2.406 1.00 0.00 O ATOM 56 CB CYS A 4 -1.446 10.423 -0.159 1.00 0.00 C ATOM 57 SG CYS A 4 -2.319 9.732 1.267 1.00 0.00 S ATOM 0 H CYS A 4 -3.440 11.834 -0.376 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.709 12.294 0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.953 10.092 -1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -0.442 10.000 -0.184 1.00 0.00 H new ATOM 62 N THR A 5 0.637 12.207 -1.540 1.00 0.00 N ATOM 63 CA THR A 5 1.447 12.593 -2.727 1.00 0.00 C ATOM 64 C THR A 5 1.172 11.617 -3.887 1.00 0.00 C ATOM 65 O THR A 5 1.555 11.873 -5.012 1.00 0.00 O ATOM 66 CB THR A 5 2.923 12.553 -2.308 1.00 0.00 C ATOM 67 OG1 THR A 5 2.984 13.278 -1.085 1.00 0.00 O ATOM 68 CG2 THR A 5 3.761 13.411 -3.237 1.00 0.00 C ATOM 0 H THR A 5 1.176 11.795 -0.778 1.00 0.00 H new ATOM 0 HA THR A 5 1.187 13.593 -3.073 1.00 0.00 H new ATOM 0 HB THR A 5 3.267 11.519 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.908 13.290 -0.758 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.805 13.372 -2.926 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.672 13.037 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.409 14.442 -3.197 1.00 0.00 H new ATOM 76 N LEU A 6 0.514 10.527 -3.557 1.00 0.00 N ATOM 77 CA LEU A 6 0.144 9.447 -4.530 1.00 0.00 C ATOM 78 C LEU A 6 1.375 8.678 -5.045 1.00 0.00 C ATOM 79 O LEU A 6 1.236 7.711 -5.768 1.00 0.00 O ATOM 80 CB LEU A 6 -0.614 10.063 -5.746 1.00 0.00 C ATOM 81 CG LEU A 6 -1.763 11.019 -5.301 1.00 0.00 C ATOM 82 CD1 LEU A 6 -2.481 11.557 -6.555 1.00 0.00 C ATOM 83 CD2 LEU A 6 -2.788 10.292 -4.402 1.00 0.00 C ATOM 0 H LEU A 6 0.204 10.336 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.496 8.743 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.091 10.611 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.027 9.261 -6.358 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.327 11.836 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.287 12.227 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.770 12.101 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.895 10.724 -7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.575 10.988 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.226 9.458 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.287 9.916 -3.510 1.00 0.00 H new ATOM 95 N ASN A 7 2.543 9.133 -4.658 1.00 0.00 N ATOM 96 CA ASN A 7 3.823 8.506 -5.066 1.00 0.00 C ATOM 97 C ASN A 7 3.959 7.044 -4.617 1.00 0.00 C ATOM 98 O ASN A 7 3.073 6.479 -4.004 1.00 0.00 O ATOM 99 CB ASN A 7 4.984 9.347 -4.479 1.00 0.00 C ATOM 100 CG ASN A 7 5.007 10.775 -5.054 1.00 0.00 C ATOM 101 OD1 ASN A 7 4.107 11.158 -5.921 1.00 0.00 O flip ATOM 102 ND2 ASN A 7 5.861 11.566 -4.712 1.00 0.00 N flip ATOM 0 H ASN A 7 2.656 9.946 -4.052 1.00 0.00 H new ATOM 0 HA ASN A 7 3.852 8.490 -6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.886 9.394 -3.394 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.933 8.855 -4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 7 6.573 11.288 -4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 7 5.867 12.509 -5.100 1.00 0.00 H new ATOM 109 N CYS A 8 5.091 6.483 -4.951 1.00 0.00 N ATOM 110 CA CYS A 8 5.381 5.066 -4.592 1.00 0.00 C ATOM 111 C CYS A 8 6.049 5.039 -3.211 1.00 0.00 C ATOM 112 O CYS A 8 7.002 5.762 -2.986 1.00 0.00 O ATOM 113 CB CYS A 8 6.331 4.455 -5.633 1.00 0.00 C ATOM 114 SG CYS A 8 6.580 5.310 -7.213 1.00 0.00 S ATOM 0 H CYS A 8 5.836 6.954 -5.464 1.00 0.00 H new ATOM 0 HA CYS A 8 4.456 4.490 -4.572 1.00 0.00 H new ATOM 0 HB2 CYS A 8 7.308 4.346 -5.162 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.971 3.451 -5.857 1.00 0.00 H new ATOM 119 N ASP A 9 5.540 4.216 -2.330 1.00 0.00 N ATOM 120 CA ASP A 9 6.135 4.125 -0.961 1.00 0.00 C ATOM 121 C ASP A 9 7.186 2.993 -0.988 1.00 0.00 C ATOM 122 O ASP A 9 6.857 1.896 -1.397 1.00 0.00 O ATOM 123 CB ASP A 9 5.009 3.819 0.035 1.00 0.00 C ATOM 124 CG ASP A 9 5.566 3.596 1.449 1.00 0.00 C ATOM 125 OD1 ASP A 9 6.083 2.514 1.656 1.00 0.00 O ATOM 126 OD2 ASP A 9 5.446 4.514 2.244 1.00 0.00 O ATOM 0 H ASP A 9 4.741 3.605 -2.498 1.00 0.00 H new ATOM 0 HA ASP A 9 6.617 5.055 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.296 4.644 0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.464 2.932 -0.289 1.00 0.00 H new ATOM 131 N PRO A 10 8.402 3.266 -0.558 1.00 0.00 N ATOM 132 CA PRO A 10 9.566 2.348 -0.771 1.00 0.00 C ATOM 133 C PRO A 10 9.278 0.937 -0.252 1.00 0.00 C ATOM 134 O PRO A 10 9.715 -0.048 -0.816 1.00 0.00 O ATOM 135 CB PRO A 10 10.751 2.997 -0.049 1.00 0.00 C ATOM 136 CG PRO A 10 10.218 4.241 0.680 1.00 0.00 C ATOM 137 CD PRO A 10 8.784 4.499 0.196 1.00 0.00 C ATOM 0 HA PRO A 10 9.780 2.220 -1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.198 2.299 0.659 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.530 3.273 -0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.234 4.086 1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.851 5.104 0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.110 4.673 1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.735 5.382 -0.441 1.00 0.00 H new ATOM 145 N ARG A 11 8.538 0.910 0.822 1.00 0.00 N ATOM 146 CA ARG A 11 8.146 -0.363 1.479 1.00 0.00 C ATOM 147 C ARG A 11 7.008 -1.013 0.672 1.00 0.00 C ATOM 148 O ARG A 11 6.960 -2.222 0.572 1.00 0.00 O ATOM 149 CB ARG A 11 7.737 0.014 2.922 1.00 0.00 C ATOM 150 CG ARG A 11 6.800 -1.018 3.590 1.00 0.00 C ATOM 151 CD ARG A 11 5.869 -0.264 4.547 1.00 0.00 C ATOM 152 NE ARG A 11 5.066 0.706 3.734 1.00 0.00 N ATOM 153 CZ ARG A 11 4.151 1.473 4.271 1.00 0.00 C ATOM 154 NH1 ARG A 11 3.902 1.412 5.552 1.00 0.00 N ATOM 155 NH2 ARG A 11 3.505 2.293 3.490 1.00 0.00 N ATOM 0 H ARG A 11 8.179 1.746 1.283 1.00 0.00 H new ATOM 0 HA ARG A 11 8.949 -1.099 1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.636 0.122 3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.243 0.985 2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.221 -1.551 2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.380 -1.764 4.132 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.213 -0.960 5.069 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.447 0.261 5.308 1.00 0.00 H new ATOM 0 HE ARG A 11 5.238 0.771 2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.422 0.763 6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.187 2.013 5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.719 2.323 2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.786 2.905 3.876 1.00 0.00 H new ATOM 169 N ILE A 12 6.140 -0.203 0.118 1.00 0.00 N ATOM 170 CA ILE A 12 4.992 -0.741 -0.684 1.00 0.00 C ATOM 171 C ILE A 12 5.468 -1.239 -2.049 1.00 0.00 C ATOM 172 O ILE A 12 6.333 -0.648 -2.665 1.00 0.00 O ATOM 173 CB ILE A 12 3.928 0.379 -0.891 1.00 0.00 C ATOM 174 CG1 ILE A 12 3.348 0.853 0.474 1.00 0.00 C ATOM 175 CG2 ILE A 12 2.784 -0.091 -1.839 1.00 0.00 C ATOM 176 CD1 ILE A 12 2.449 -0.190 1.123 1.00 0.00 C ATOM 0 H ILE A 12 6.176 0.814 0.186 1.00 0.00 H new ATOM 0 HA ILE A 12 4.554 -1.577 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 12 4.428 1.224 -1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.169 1.091 1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.782 1.772 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.059 0.714 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.202 -0.354 -2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.290 -0.962 -1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.073 0.193 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.611 -0.410 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.019 -1.102 1.301 1.00 0.00 H new ATOM 188 N ALA A 13 4.866 -2.327 -2.458 1.00 0.00 N ATOM 189 CA ALA A 13 5.202 -2.946 -3.770 1.00 0.00 C ATOM 190 C ALA A 13 4.030 -2.689 -4.704 1.00 0.00 C ATOM 191 O ALA A 13 4.173 -2.015 -5.706 1.00 0.00 O ATOM 192 CB ALA A 13 5.410 -4.455 -3.608 1.00 0.00 C ATOM 0 H ALA A 13 4.146 -2.818 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 13 6.122 -2.518 -4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.655 -4.894 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.227 -4.637 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.496 -4.909 -3.224 1.00 0.00 H new ATOM 198 N TYR A 14 2.898 -3.239 -4.339 1.00 0.00 N ATOM 199 CA TYR A 14 1.673 -3.058 -5.180 1.00 0.00 C ATOM 200 C TYR A 14 0.435 -3.483 -4.395 1.00 0.00 C ATOM 201 O TYR A 14 0.522 -3.716 -3.207 1.00 0.00 O ATOM 202 CB TYR A 14 1.827 -3.907 -6.471 1.00 0.00 C ATOM 203 CG TYR A 14 2.037 -5.392 -6.135 1.00 0.00 C ATOM 204 CD1 TYR A 14 0.961 -6.229 -5.919 1.00 0.00 C ATOM 205 CD2 TYR A 14 3.314 -5.909 -6.043 1.00 0.00 C ATOM 206 CE1 TYR A 14 1.161 -7.556 -5.617 1.00 0.00 C ATOM 207 CE2 TYR A 14 3.513 -7.236 -5.741 1.00 0.00 C ATOM 208 CZ TYR A 14 2.437 -8.071 -5.525 1.00 0.00 C ATOM 209 OH TYR A 14 2.635 -9.402 -5.219 1.00 0.00 O ATOM 0 H TYR A 14 2.769 -3.803 -3.499 1.00 0.00 H new ATOM 0 HA TYR A 14 1.555 -2.009 -5.451 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.939 -3.794 -7.093 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.672 -3.540 -7.053 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.044 -5.840 -5.988 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.165 -5.265 -6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.311 -8.201 -5.450 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.518 -7.626 -5.673 1.00 0.00 H new ATOM 0 HH TYR A 14 2.931 -9.881 -6.021 1.00 0.00 H new ATOM 219 N GLY A 15 -0.676 -3.569 -5.082 1.00 0.00 N ATOM 220 CA GLY A 15 -1.949 -3.980 -4.421 1.00 0.00 C ATOM 221 C GLY A 15 -2.864 -4.716 -5.397 1.00 0.00 C ATOM 222 O GLY A 15 -2.782 -4.524 -6.595 1.00 0.00 O ATOM 0 H GLY A 15 -0.755 -3.370 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.729 -4.623 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.461 -3.100 -4.032 1.00 0.00 H new ATOM 226 N VAL A 16 -3.712 -5.539 -4.832 1.00 0.00 N ATOM 227 CA VAL A 16 -4.682 -6.340 -5.653 1.00 0.00 C ATOM 228 C VAL A 16 -6.001 -6.499 -4.872 1.00 0.00 C ATOM 229 O VAL A 16 -5.990 -6.697 -3.673 1.00 0.00 O ATOM 230 CB VAL A 16 -4.054 -7.740 -5.961 1.00 0.00 C ATOM 231 CG1 VAL A 16 -5.119 -8.713 -6.519 1.00 0.00 C ATOM 232 CG2 VAL A 16 -2.902 -7.603 -6.982 1.00 0.00 C ATOM 0 H VAL A 16 -3.777 -5.694 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.892 -5.830 -6.593 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.663 -8.142 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.657 -9.679 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.915 -8.840 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.536 -8.306 -7.440 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.477 -8.586 -7.185 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.286 -7.176 -7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.130 -6.951 -6.574 1.00 0.00 H new ATOM 242 N CYS A 17 -7.090 -6.415 -5.598 1.00 0.00 N ATOM 243 CA CYS A 17 -8.467 -6.541 -5.016 1.00 0.00 C ATOM 244 C CYS A 17 -9.157 -7.857 -5.423 1.00 0.00 C ATOM 245 O CYS A 17 -8.613 -8.606 -6.212 1.00 0.00 O ATOM 246 CB CYS A 17 -9.279 -5.307 -5.494 1.00 0.00 C ATOM 247 SG CYS A 17 -8.364 -4.018 -6.375 1.00 0.00 S ATOM 0 H CYS A 17 -7.081 -6.259 -6.606 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.407 -6.569 -3.928 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -10.080 -5.659 -6.144 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.751 -4.853 -4.623 1.00 0.00 H new ATOM 252 N PRO A 18 -10.332 -8.112 -4.879 1.00 0.00 N ATOM 253 CA PRO A 18 -11.183 -9.264 -5.303 1.00 0.00 C ATOM 254 C PRO A 18 -11.538 -9.177 -6.797 1.00 0.00 C ATOM 255 O PRO A 18 -11.333 -8.157 -7.429 1.00 0.00 O ATOM 256 CB PRO A 18 -12.427 -9.217 -4.407 1.00 0.00 C ATOM 257 CG PRO A 18 -12.192 -8.127 -3.352 1.00 0.00 C ATOM 258 CD PRO A 18 -10.964 -7.314 -3.782 1.00 0.00 C ATOM 0 HA PRO A 18 -10.661 -10.214 -5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.316 -8.995 -4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.593 -10.183 -3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.067 -7.482 -3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.030 -8.574 -2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.251 -6.322 -4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.274 -7.172 -2.950 1.00 0.00 H new ATOM 266 N ARG A 19 -12.066 -10.265 -7.304 1.00 0.00 N ATOM 267 CA ARG A 19 -12.472 -10.365 -8.747 1.00 0.00 C ATOM 268 C ARG A 19 -11.329 -9.988 -9.703 1.00 0.00 C ATOM 269 O ARG A 19 -11.541 -9.555 -10.819 1.00 0.00 O ATOM 270 CB ARG A 19 -13.703 -9.441 -8.985 1.00 0.00 C ATOM 271 CG ARG A 19 -14.723 -9.667 -7.855 1.00 0.00 C ATOM 272 CD ARG A 19 -15.953 -8.787 -8.064 1.00 0.00 C ATOM 273 NE ARG A 19 -16.843 -9.000 -6.883 1.00 0.00 N ATOM 274 CZ ARG A 19 -16.689 -8.330 -5.766 1.00 0.00 C ATOM 275 NH1 ARG A 19 -15.740 -7.439 -5.644 1.00 0.00 N ATOM 276 NH2 ARG A 19 -17.512 -8.580 -4.786 1.00 0.00 N ATOM 0 H ARG A 19 -12.238 -11.113 -6.764 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.728 -11.403 -8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.391 -8.397 -9.008 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.157 -9.660 -9.952 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -15.019 -10.716 -7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.265 -9.440 -6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.668 -7.738 -8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -16.466 -9.054 -8.988 1.00 0.00 H new ATOM 0 HE ARG A 19 -17.594 -9.688 -6.947 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -15.108 -7.257 -6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.632 -6.925 -4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -18.247 -9.278 -4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.421 -8.077 -3.903 1.00 0.00 H new ATOM 290 N SER A 20 -10.140 -10.183 -9.198 1.00 0.00 N ATOM 291 CA SER A 20 -8.888 -9.887 -9.953 1.00 0.00 C ATOM 292 C SER A 20 -7.713 -10.486 -9.170 1.00 0.00 C ATOM 293 O SER A 20 -7.251 -9.923 -8.198 1.00 0.00 O ATOM 294 CB SER A 20 -8.729 -8.344 -10.105 1.00 0.00 C ATOM 295 OG SER A 20 -8.819 -7.809 -8.790 1.00 0.00 O ATOM 0 H SER A 20 -9.981 -10.549 -8.259 1.00 0.00 H new ATOM 0 HA SER A 20 -8.919 -10.323 -10.952 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.772 -8.094 -10.563 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.508 -7.933 -10.748 1.00 0.00 H new ATOM 0 HG SER A 20 -8.417 -8.436 -8.153 1.00 0.00 H new ATOM 301 N GLU A 21 -7.263 -11.628 -9.624 1.00 0.00 N ATOM 302 CA GLU A 21 -6.127 -12.323 -8.962 1.00 0.00 C ATOM 303 C GLU A 21 -4.822 -11.590 -9.284 1.00 0.00 C ATOM 304 O GLU A 21 -3.927 -11.531 -8.466 1.00 0.00 O ATOM 305 CB GLU A 21 -6.053 -13.774 -9.471 1.00 0.00 C ATOM 306 CG GLU A 21 -7.352 -14.520 -9.103 1.00 0.00 C ATOM 307 CD GLU A 21 -7.254 -15.972 -9.601 1.00 0.00 C ATOM 308 OE1 GLU A 21 -7.655 -16.187 -10.735 1.00 0.00 O ATOM 309 OE2 GLU A 21 -6.784 -16.785 -8.822 1.00 0.00 O ATOM 0 H GLU A 21 -7.643 -12.112 -10.437 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.277 -12.327 -7.882 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.910 -13.784 -10.552 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.194 -14.281 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.504 -14.502 -8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.212 -14.024 -9.554 1.00 0.00 H new ATOM 316 N GLU A 22 -4.772 -11.056 -10.481 1.00 0.00 N ATOM 317 CA GLU A 22 -3.580 -10.297 -10.977 1.00 0.00 C ATOM 318 C GLU A 22 -2.304 -11.150 -11.034 1.00 0.00 C ATOM 319 O GLU A 22 -2.258 -12.262 -10.544 1.00 0.00 O ATOM 320 CB GLU A 22 -3.345 -9.068 -10.045 1.00 0.00 C ATOM 321 CG GLU A 22 -3.048 -7.795 -10.868 1.00 0.00 C ATOM 322 CD GLU A 22 -4.286 -7.415 -11.705 1.00 0.00 C ATOM 323 OE1 GLU A 22 -5.259 -7.013 -11.086 1.00 0.00 O ATOM 324 OE2 GLU A 22 -4.190 -7.549 -12.915 1.00 0.00 O ATOM 0 H GLU A 22 -5.534 -11.118 -11.156 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.793 -9.982 -11.999 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.225 -8.906 -9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.512 -9.272 -9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.782 -6.974 -10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.193 -7.965 -11.522 1.00 0.00 H new ATOM 331 N LYS A 23 -1.300 -10.577 -11.646 1.00 0.00 N ATOM 332 CA LYS A 23 0.014 -11.261 -11.789 1.00 0.00 C ATOM 333 C LYS A 23 0.779 -11.162 -10.462 1.00 0.00 C ATOM 334 O LYS A 23 1.531 -12.054 -10.118 1.00 0.00 O ATOM 335 CB LYS A 23 0.817 -10.578 -12.921 1.00 0.00 C ATOM 336 CG LYS A 23 0.584 -11.300 -14.270 1.00 0.00 C ATOM 337 CD LYS A 23 -0.904 -11.196 -14.695 1.00 0.00 C ATOM 338 CE LYS A 23 -1.107 -11.888 -16.055 1.00 0.00 C ATOM 339 NZ LYS A 23 -0.767 -13.336 -15.953 1.00 0.00 N ATOM 0 H LYS A 23 -1.340 -9.645 -12.060 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.133 -12.312 -12.038 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.519 -9.533 -13.006 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.879 -10.587 -12.677 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.219 -10.860 -15.039 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.870 -12.348 -14.182 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.540 -11.660 -13.942 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.201 -10.149 -14.761 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.141 -11.772 -16.379 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.481 -11.412 -16.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.170 -13.845 -16.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.267 -13.451 -15.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.160 -13.724 -15.072 1.00 0.00 H new ATOM 353 N LYS A 24 0.543 -10.066 -9.775 1.00 0.00 N ATOM 354 CA LYS A 24 1.176 -9.748 -8.453 1.00 0.00 C ATOM 355 C LYS A 24 2.643 -10.195 -8.433 1.00 0.00 C ATOM 356 O LYS A 24 3.099 -10.940 -7.587 1.00 0.00 O ATOM 357 CB LYS A 24 0.361 -10.442 -7.283 1.00 0.00 C ATOM 358 CG LYS A 24 -0.602 -11.563 -7.736 1.00 0.00 C ATOM 359 CD LYS A 24 -1.301 -12.240 -6.521 1.00 0.00 C ATOM 360 CE LYS A 24 -2.212 -11.266 -5.725 1.00 0.00 C ATOM 361 NZ LYS A 24 -1.417 -10.279 -4.938 1.00 0.00 N ATOM 0 H LYS A 24 -0.098 -9.342 -10.098 1.00 0.00 H new ATOM 0 HA LYS A 24 1.152 -8.669 -8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.068 -10.858 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.214 -9.679 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.355 -11.148 -8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.049 -12.312 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.898 -13.080 -6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.542 -12.647 -5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.868 -10.736 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.852 -11.836 -5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.833 -10.175 -3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.436 -10.614 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.427 -9.359 -5.423 1.00 0.00 H new ATOM 375 N ASN A 25 3.327 -9.687 -9.424 1.00 0.00 N ATOM 376 CA ASN A 25 4.771 -9.978 -9.615 1.00 0.00 C ATOM 377 C ASN A 25 5.392 -8.748 -10.299 1.00 0.00 C ATOM 378 O ASN A 25 6.174 -8.847 -11.226 1.00 0.00 O ATOM 379 CB ASN A 25 4.893 -11.258 -10.489 1.00 0.00 C ATOM 380 CG ASN A 25 5.257 -12.444 -9.590 1.00 0.00 C ATOM 381 OD1 ASN A 25 6.412 -12.779 -9.414 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.297 -13.104 -9.000 1.00 0.00 N ATOM 0 H ASN A 25 2.929 -9.065 -10.127 1.00 0.00 H new ATOM 0 HA ASN A 25 5.294 -10.162 -8.677 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.953 -11.452 -11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.655 -11.119 -11.256 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.519 -13.895 -8.396 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.326 -12.828 -9.143 1.00 0.00 H new ATOM 389 N ASP A 26 5.003 -7.604 -9.791 1.00 0.00 N ATOM 390 CA ASP A 26 5.497 -6.306 -10.326 1.00 0.00 C ATOM 391 C ASP A 26 5.208 -5.222 -9.286 1.00 0.00 C ATOM 392 O ASP A 26 4.070 -4.966 -8.946 1.00 0.00 O ATOM 393 CB ASP A 26 4.766 -5.988 -11.656 1.00 0.00 C ATOM 394 CG ASP A 26 5.815 -5.736 -12.751 1.00 0.00 C ATOM 395 OD1 ASP A 26 6.188 -6.714 -13.381 1.00 0.00 O ATOM 396 OD2 ASP A 26 6.186 -4.582 -12.892 1.00 0.00 O ATOM 0 H ASP A 26 4.350 -7.519 -9.012 1.00 0.00 H new ATOM 0 HA ASP A 26 6.568 -6.351 -10.522 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.118 -6.818 -11.938 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.128 -5.112 -11.536 1.00 0.00 H new ATOM 401 N ARG A 27 6.272 -4.625 -8.819 1.00 0.00 N ATOM 402 CA ARG A 27 6.174 -3.544 -7.800 1.00 0.00 C ATOM 403 C ARG A 27 5.830 -2.235 -8.518 1.00 0.00 C ATOM 404 O ARG A 27 6.682 -1.465 -8.919 1.00 0.00 O ATOM 405 CB ARG A 27 7.538 -3.494 -7.051 1.00 0.00 C ATOM 406 CG ARG A 27 7.710 -2.201 -6.193 1.00 0.00 C ATOM 407 CD ARG A 27 8.884 -1.342 -6.712 1.00 0.00 C ATOM 408 NE ARG A 27 10.147 -2.139 -6.575 1.00 0.00 N ATOM 409 CZ ARG A 27 10.706 -2.366 -5.411 1.00 0.00 C ATOM 410 NH1 ARG A 27 10.180 -1.896 -4.310 1.00 0.00 N ATOM 411 NH2 ARG A 27 11.801 -3.075 -5.386 1.00 0.00 N ATOM 0 H ARG A 27 7.224 -4.847 -9.109 1.00 0.00 H new ATOM 0 HA ARG A 27 5.389 -3.720 -7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.625 -4.368 -6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.349 -3.553 -7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.789 -1.618 -6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.886 -2.472 -5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.721 -1.065 -7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.957 -0.415 -6.144 1.00 0.00 H new ATOM 0 HE ARG A 27 10.585 -2.517 -7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.323 -1.344 -4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.627 -2.081 -3.412 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.196 -3.434 -6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.262 -3.270 -4.497 1.00 0.00 H new ATOM 425 N ILE A 28 4.543 -2.053 -8.654 1.00 0.00 N ATOM 426 CA ILE A 28 3.966 -0.857 -9.316 1.00 0.00 C ATOM 427 C ILE A 28 4.237 0.351 -8.393 1.00 0.00 C ATOM 428 O ILE A 28 4.776 0.196 -7.313 1.00 0.00 O ATOM 429 CB ILE A 28 2.425 -1.030 -9.505 1.00 0.00 C ATOM 430 CG1 ILE A 28 2.007 -2.525 -9.750 1.00 0.00 C ATOM 431 CG2 ILE A 28 2.025 -0.251 -10.769 1.00 0.00 C ATOM 432 CD1 ILE A 28 0.476 -2.704 -9.741 1.00 0.00 C ATOM 0 H ILE A 28 3.844 -2.715 -8.317 1.00 0.00 H new ATOM 0 HA ILE A 28 4.415 -0.714 -10.299 1.00 0.00 H new ATOM 0 HB ILE A 28 1.937 -0.676 -8.597 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.406 -2.861 -10.707 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.451 -3.157 -8.980 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.952 -0.350 -10.933 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.278 0.802 -10.643 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.562 -0.652 -11.629 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.231 -3.752 -9.914 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.079 -2.393 -8.775 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.034 -2.093 -10.528 1.00 0.00 H new ATOM 444 N CYS A 29 3.854 1.517 -8.842 1.00 0.00 N ATOM 445 CA CYS A 29 4.070 2.746 -8.024 1.00 0.00 C ATOM 446 C CYS A 29 2.766 3.123 -7.324 1.00 0.00 C ATOM 447 O CYS A 29 1.809 3.535 -7.951 1.00 0.00 O ATOM 448 CB CYS A 29 4.512 3.906 -8.915 1.00 0.00 C ATOM 449 SG CYS A 29 4.740 5.468 -8.031 1.00 0.00 S ATOM 0 H CYS A 29 3.400 1.671 -9.742 1.00 0.00 H new ATOM 0 HA CYS A 29 4.847 2.546 -7.286 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.448 3.638 -9.405 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.770 4.050 -9.701 1.00 0.00 H new ATOM 454 N THR A 30 2.785 2.960 -6.026 1.00 0.00 N ATOM 455 CA THR A 30 1.593 3.278 -5.184 1.00 0.00 C ATOM 456 C THR A 30 1.996 3.247 -3.701 1.00 0.00 C ATOM 457 O THR A 30 3.082 2.825 -3.351 1.00 0.00 O ATOM 458 CB THR A 30 0.479 2.225 -5.503 1.00 0.00 C ATOM 459 OG1 THR A 30 -0.584 2.467 -4.589 1.00 0.00 O ATOM 460 CG2 THR A 30 0.939 0.780 -5.228 1.00 0.00 C ATOM 0 H THR A 30 3.591 2.614 -5.505 1.00 0.00 H new ATOM 0 HA THR A 30 1.209 4.275 -5.401 1.00 0.00 H new ATOM 0 HB THR A 30 0.209 2.322 -6.555 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.965 1.613 -4.297 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.130 0.089 -5.465 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.806 0.550 -5.847 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.207 0.677 -4.176 1.00 0.00 H new ATOM 468 N ASN A 31 1.088 3.706 -2.877 1.00 0.00 N ATOM 469 CA ASN A 31 1.338 3.738 -1.408 1.00 0.00 C ATOM 470 C ASN A 31 0.031 3.579 -0.623 1.00 0.00 C ATOM 471 O ASN A 31 -1.013 4.021 -1.063 1.00 0.00 O ATOM 472 CB ASN A 31 2.041 5.084 -1.055 1.00 0.00 C ATOM 473 CG ASN A 31 1.279 6.329 -1.542 1.00 0.00 C ATOM 474 OD1 ASN A 31 0.102 6.302 -1.833 1.00 0.00 O ATOM 475 ND2 ASN A 31 1.926 7.458 -1.646 1.00 0.00 N ATOM 0 H ASN A 31 0.177 4.063 -3.164 1.00 0.00 H new ATOM 0 HA ASN A 31 1.982 2.904 -1.129 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.165 5.146 0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.040 5.087 -1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.441 8.296 -1.967 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.916 7.502 -1.406 1.00 0.00 H new ATOM 482 N CYS A 32 0.131 2.945 0.521 1.00 0.00 N ATOM 483 CA CYS A 32 -1.077 2.731 1.383 1.00 0.00 C ATOM 484 C CYS A 32 -1.781 4.043 1.731 1.00 0.00 C ATOM 485 O CYS A 32 -2.985 4.063 1.906 1.00 0.00 O ATOM 486 CB CYS A 32 -0.655 2.020 2.692 1.00 0.00 C ATOM 487 SG CYS A 32 -1.857 2.089 4.046 1.00 0.00 S ATOM 0 H CYS A 32 1.000 2.565 0.897 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.778 2.117 0.818 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.450 0.974 2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.280 2.460 3.038 1.00 0.00 H new ATOM 492 N CYS A 33 -1.002 5.094 1.818 1.00 0.00 N ATOM 493 CA CYS A 33 -1.562 6.439 2.149 1.00 0.00 C ATOM 494 C CYS A 33 -2.681 6.770 1.153 1.00 0.00 C ATOM 495 O CYS A 33 -3.757 7.183 1.543 1.00 0.00 O ATOM 496 CB CYS A 33 -0.448 7.488 2.049 1.00 0.00 C ATOM 497 SG CYS A 33 -0.856 9.181 2.546 1.00 0.00 S ATOM 0 H CYS A 33 0.007 5.076 1.672 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.965 6.439 3.162 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.390 7.150 2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.100 7.514 1.016 1.00 0.00 H new ATOM 502 N ALA A 34 -2.374 6.568 -0.105 1.00 0.00 N ATOM 503 CA ALA A 34 -3.361 6.845 -1.189 1.00 0.00 C ATOM 504 C ALA A 34 -4.172 5.579 -1.486 1.00 0.00 C ATOM 505 O ALA A 34 -5.324 5.503 -1.114 1.00 0.00 O ATOM 506 CB ALA A 34 -2.614 7.296 -2.457 1.00 0.00 C ATOM 0 H ALA A 34 -1.472 6.219 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.040 7.635 -0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.333 7.499 -3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.046 8.201 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.933 6.508 -2.778 1.00 0.00 H new ATOM 512 N GLY A 35 -3.529 4.633 -2.135 1.00 0.00 N ATOM 513 CA GLY A 35 -4.153 3.325 -2.523 1.00 0.00 C ATOM 514 C GLY A 35 -5.651 3.418 -2.869 1.00 0.00 C ATOM 515 O GLY A 35 -6.118 4.409 -3.396 1.00 0.00 O ATOM 0 H GLY A 35 -2.554 4.721 -2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.618 2.921 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.024 2.617 -1.705 1.00 0.00 H new ATOM 519 N THR A 36 -6.350 2.360 -2.558 1.00 0.00 N ATOM 520 CA THR A 36 -7.818 2.281 -2.813 1.00 0.00 C ATOM 521 C THR A 36 -8.431 1.482 -1.652 1.00 0.00 C ATOM 522 O THR A 36 -7.728 1.012 -0.781 1.00 0.00 O ATOM 523 CB THR A 36 -8.114 1.530 -4.112 1.00 0.00 C ATOM 524 OG1 THR A 36 -7.119 1.916 -5.049 1.00 0.00 O ATOM 525 CG2 THR A 36 -9.415 1.977 -4.809 1.00 0.00 C ATOM 0 H THR A 36 -5.954 1.525 -2.126 1.00 0.00 H new ATOM 0 HA THR A 36 -8.229 3.287 -2.894 1.00 0.00 H new ATOM 0 HB THR A 36 -8.165 0.473 -3.849 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.306 1.391 -4.897 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.556 1.399 -5.722 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.261 1.812 -4.141 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.350 3.036 -5.057 1.00 0.00 H new ATOM 533 N LYS A 37 -9.728 1.346 -1.680 1.00 0.00 N ATOM 534 CA LYS A 37 -10.457 0.586 -0.613 1.00 0.00 C ATOM 535 C LYS A 37 -10.898 -0.729 -1.253 1.00 0.00 C ATOM 536 O LYS A 37 -11.319 -0.749 -2.395 1.00 0.00 O ATOM 537 CB LYS A 37 -11.707 1.379 -0.113 1.00 0.00 C ATOM 538 CG LYS A 37 -11.504 2.897 -0.296 1.00 0.00 C ATOM 539 CD LYS A 37 -12.685 3.707 0.287 1.00 0.00 C ATOM 540 CE LYS A 37 -13.980 3.443 -0.506 1.00 0.00 C ATOM 541 NZ LYS A 37 -15.085 4.271 0.051 1.00 0.00 N ATOM 0 H LYS A 37 -10.328 1.734 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.814 0.422 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.591 1.057 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.888 1.156 0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.578 3.202 0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.395 3.124 -1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.834 3.439 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.449 4.771 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.829 3.681 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.242 2.386 -0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.958 4.091 -0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.235 4.023 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.835 5.278 -0.022 1.00 0.00 H new ATOM 555 N GLY A 38 -10.785 -1.788 -0.495 1.00 0.00 N ATOM 556 CA GLY A 38 -11.174 -3.135 -0.997 1.00 0.00 C ATOM 557 C GLY A 38 -9.903 -3.833 -1.483 1.00 0.00 C ATOM 558 O GLY A 38 -9.706 -5.004 -1.220 1.00 0.00 O ATOM 0 H GLY A 38 -10.435 -1.774 0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.651 -3.715 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.897 -3.047 -1.808 1.00 0.00 H new ATOM 562 N CYS A 39 -9.074 -3.090 -2.181 1.00 0.00 N ATOM 563 CA CYS A 39 -7.804 -3.666 -2.700 1.00 0.00 C ATOM 564 C CYS A 39 -6.812 -3.678 -1.542 1.00 0.00 C ATOM 565 O CYS A 39 -6.809 -2.787 -0.717 1.00 0.00 O ATOM 566 CB CYS A 39 -7.299 -2.794 -3.832 1.00 0.00 C ATOM 567 SG CYS A 39 -8.501 -2.430 -5.134 1.00 0.00 S ATOM 0 H CYS A 39 -9.228 -2.108 -2.411 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.942 -4.677 -3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.949 -1.851 -3.412 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.436 -3.282 -4.285 1.00 0.00 H new ATOM 572 N LYS A 40 -6.007 -4.701 -1.547 1.00 0.00 N ATOM 573 CA LYS A 40 -4.963 -4.917 -0.499 1.00 0.00 C ATOM 574 C LYS A 40 -3.564 -4.617 -1.033 1.00 0.00 C ATOM 575 O LYS A 40 -3.110 -5.267 -1.951 1.00 0.00 O ATOM 576 CB LYS A 40 -5.054 -6.380 -0.025 1.00 0.00 C ATOM 577 CG LYS A 40 -6.413 -6.594 0.695 1.00 0.00 C ATOM 578 CD LYS A 40 -6.609 -8.065 1.156 1.00 0.00 C ATOM 579 CE LYS A 40 -5.699 -8.441 2.351 1.00 0.00 C ATOM 580 NZ LYS A 40 -4.264 -8.486 1.955 1.00 0.00 N ATOM 0 H LYS A 40 -6.029 -5.427 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.141 -4.235 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.967 -7.057 -0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.230 -6.609 0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.472 -5.933 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.225 -6.314 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.651 -8.218 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.401 -8.734 0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.833 -7.715 3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.999 -9.412 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.801 -9.294 2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.192 -8.591 0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.796 -7.604 2.247 1.00 0.00 H new ATOM 594 N TYR A 41 -2.933 -3.637 -0.436 1.00 0.00 N ATOM 595 CA TYR A 41 -1.569 -3.210 -0.823 1.00 0.00 C ATOM 596 C TYR A 41 -0.511 -3.852 0.083 1.00 0.00 C ATOM 597 O TYR A 41 -0.494 -3.638 1.287 1.00 0.00 O ATOM 598 CB TYR A 41 -1.503 -1.690 -0.719 1.00 0.00 C ATOM 599 CG TYR A 41 -2.402 -1.055 -1.789 1.00 0.00 C ATOM 600 CD1 TYR A 41 -3.772 -1.010 -1.620 1.00 0.00 C ATOM 601 CD2 TYR A 41 -1.849 -0.519 -2.936 1.00 0.00 C ATOM 602 CE1 TYR A 41 -4.577 -0.439 -2.580 1.00 0.00 C ATOM 603 CE2 TYR A 41 -2.655 0.052 -3.896 1.00 0.00 C ATOM 604 CZ TYR A 41 -4.022 0.096 -3.723 1.00 0.00 C ATOM 605 OH TYR A 41 -4.822 0.670 -4.686 1.00 0.00 O ATOM 0 H TYR A 41 -3.331 -3.099 0.334 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.360 -3.531 -1.843 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.822 -1.370 0.273 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.475 -1.352 -0.848 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.215 -1.426 -0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.779 -0.548 -3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.647 -0.410 -2.437 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.213 0.468 -4.790 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.264 0.997 -5.423 1.00 0.00 H new ATOM 615 N PHE A 42 0.322 -4.620 -0.578 1.00 0.00 N ATOM 616 CA PHE A 42 1.443 -5.363 0.046 1.00 0.00 C ATOM 617 C PHE A 42 2.809 -4.832 -0.405 1.00 0.00 C ATOM 618 O PHE A 42 2.966 -4.301 -1.493 1.00 0.00 O ATOM 619 CB PHE A 42 1.352 -6.862 -0.332 1.00 0.00 C ATOM 620 CG PHE A 42 0.077 -7.223 -1.118 1.00 0.00 C ATOM 621 CD1 PHE A 42 -0.027 -6.967 -2.475 1.00 0.00 C ATOM 622 CD2 PHE A 42 -0.983 -7.819 -0.462 1.00 0.00 C ATOM 623 CE1 PHE A 42 -1.178 -7.308 -3.160 1.00 0.00 C ATOM 624 CE2 PHE A 42 -2.131 -8.158 -1.145 1.00 0.00 C ATOM 625 CZ PHE A 42 -2.229 -7.902 -2.494 1.00 0.00 C ATOM 0 H PHE A 42 0.257 -4.763 -1.586 1.00 0.00 H new ATOM 0 HA PHE A 42 1.358 -5.228 1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.224 -7.132 -0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.390 -7.461 0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.793 -6.500 -2.999 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.911 -8.021 0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.254 -7.109 -4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.953 -8.624 -0.622 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.128 -8.166 -3.030 1.00 0.00 H new ATOM 635 N SER A 43 3.736 -5.024 0.501 1.00 0.00 N ATOM 636 CA SER A 43 5.149 -4.619 0.340 1.00 0.00 C ATOM 637 C SER A 43 5.946 -5.496 -0.628 1.00 0.00 C ATOM 638 O SER A 43 5.443 -6.425 -1.229 1.00 0.00 O ATOM 639 CB SER A 43 5.793 -4.675 1.706 1.00 0.00 C ATOM 640 OG SER A 43 5.131 -3.695 2.481 1.00 0.00 O ATOM 0 H SER A 43 3.546 -5.474 1.396 1.00 0.00 H new ATOM 0 HA SER A 43 5.159 -3.618 -0.091 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.684 -5.665 2.150 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.862 -4.469 1.644 1.00 0.00 H new ATOM 0 HG SER A 43 5.507 -3.685 3.386 1.00 0.00 H new ATOM 646 N ASP A 44 7.197 -5.123 -0.710 1.00 0.00 N ATOM 647 CA ASP A 44 8.197 -5.812 -1.585 1.00 0.00 C ATOM 648 C ASP A 44 8.767 -7.011 -0.821 1.00 0.00 C ATOM 649 O ASP A 44 9.175 -7.993 -1.408 1.00 0.00 O ATOM 650 CB ASP A 44 9.314 -4.801 -1.939 1.00 0.00 C ATOM 651 CG ASP A 44 9.670 -4.911 -3.432 1.00 0.00 C ATOM 652 OD1 ASP A 44 8.802 -4.578 -4.220 1.00 0.00 O ATOM 653 OD2 ASP A 44 10.787 -5.320 -3.703 1.00 0.00 O ATOM 0 H ASP A 44 7.582 -4.338 -0.185 1.00 0.00 H new ATOM 0 HA ASP A 44 7.738 -6.169 -2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.985 -3.788 -1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.198 -4.995 -1.331 1.00 0.00 H new ATOM 658 N ASP A 45 8.769 -6.868 0.480 1.00 0.00 N ATOM 659 CA ASP A 45 9.282 -7.932 1.395 1.00 0.00 C ATOM 660 C ASP A 45 8.296 -9.119 1.427 1.00 0.00 C ATOM 661 O ASP A 45 8.558 -10.126 2.055 1.00 0.00 O ATOM 662 CB ASP A 45 9.444 -7.300 2.796 1.00 0.00 C ATOM 663 CG ASP A 45 9.896 -8.350 3.826 1.00 0.00 C ATOM 664 OD1 ASP A 45 11.067 -8.691 3.782 1.00 0.00 O ATOM 665 OD2 ASP A 45 9.041 -8.753 4.600 1.00 0.00 O ATOM 0 H ASP A 45 8.427 -6.035 0.958 1.00 0.00 H new ATOM 0 HA ASP A 45 10.242 -8.317 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.173 -6.491 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.498 -6.859 3.112 1.00 0.00 H new ATOM 670 N GLY A 46 7.189 -8.959 0.742 1.00 0.00 N ATOM 671 CA GLY A 46 6.154 -10.016 0.691 1.00 0.00 C ATOM 672 C GLY A 46 5.461 -10.029 2.050 1.00 0.00 C ATOM 673 O GLY A 46 5.472 -11.020 2.753 1.00 0.00 O ATOM 0 H GLY A 46 6.964 -8.120 0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.437 -9.815 -0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.604 -10.986 0.478 1.00 0.00 H new ATOM 677 N THR A 47 4.877 -8.897 2.359 1.00 0.00 N ATOM 678 CA THR A 47 4.152 -8.690 3.626 1.00 0.00 C ATOM 679 C THR A 47 3.093 -7.603 3.404 1.00 0.00 C ATOM 680 O THR A 47 3.409 -6.474 3.081 1.00 0.00 O ATOM 681 CB THR A 47 5.161 -8.249 4.697 1.00 0.00 C ATOM 682 OG1 THR A 47 6.054 -9.343 4.861 1.00 0.00 O ATOM 683 CG2 THR A 47 4.502 -8.075 6.078 1.00 0.00 C ATOM 0 H THR A 47 4.881 -8.080 1.749 1.00 0.00 H new ATOM 0 HA THR A 47 3.661 -9.606 3.955 1.00 0.00 H new ATOM 0 HB THR A 47 5.616 -7.309 4.383 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.977 -9.031 4.754 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.254 -7.763 6.803 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.721 -7.317 6.016 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.064 -9.022 6.394 1.00 0.00 H new ATOM 691 N PHE A 48 1.860 -8.000 3.590 1.00 0.00 N ATOM 692 CA PHE A 48 0.702 -7.075 3.417 1.00 0.00 C ATOM 693 C PHE A 48 0.784 -5.862 4.354 1.00 0.00 C ATOM 694 O PHE A 48 1.053 -6.016 5.531 1.00 0.00 O ATOM 695 CB PHE A 48 -0.588 -7.879 3.682 1.00 0.00 C ATOM 696 CG PHE A 48 -1.829 -6.970 3.635 1.00 0.00 C ATOM 697 CD1 PHE A 48 -2.037 -6.098 2.581 1.00 0.00 C ATOM 698 CD2 PHE A 48 -2.758 -7.015 4.659 1.00 0.00 C ATOM 699 CE1 PHE A 48 -3.150 -5.291 2.557 1.00 0.00 C ATOM 700 CE2 PHE A 48 -3.873 -6.205 4.632 1.00 0.00 C ATOM 701 CZ PHE A 48 -4.069 -5.342 3.579 1.00 0.00 C ATOM 0 H PHE A 48 1.603 -8.949 3.861 1.00 0.00 H new ATOM 0 HA PHE A 48 0.709 -6.679 2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.685 -8.671 2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.525 -8.363 4.657 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.322 -6.051 1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.608 -7.691 5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.304 -4.613 1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.592 -6.248 5.437 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.942 -4.706 3.555 1.00 0.00 H new ATOM 711 N VAL A 49 0.549 -4.699 3.794 1.00 0.00 N ATOM 712 CA VAL A 49 0.597 -3.444 4.610 1.00 0.00 C ATOM 713 C VAL A 49 -0.816 -2.944 4.917 1.00 0.00 C ATOM 714 O VAL A 49 -1.171 -2.884 6.080 1.00 0.00 O ATOM 715 CB VAL A 49 1.373 -2.344 3.842 1.00 0.00 C ATOM 716 CG1 VAL A 49 1.431 -1.038 4.678 1.00 0.00 C ATOM 717 CG2 VAL A 49 2.798 -2.835 3.611 1.00 0.00 C ATOM 0 H VAL A 49 0.326 -4.565 2.808 1.00 0.00 H new ATOM 0 HA VAL A 49 1.105 -3.666 5.548 1.00 0.00 H new ATOM 0 HB VAL A 49 0.869 -2.141 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.979 -0.276 4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.418 -0.686 4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.936 -1.234 5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.362 -2.074 3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.276 -3.028 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.776 -3.754 3.025 1.00 0.00 H new ATOM 727 N CYS A 50 -1.592 -2.600 3.913 1.00 0.00 N ATOM 728 CA CYS A 50 -2.976 -2.110 4.239 1.00 0.00 C ATOM 729 C CYS A 50 -3.826 -2.109 2.986 1.00 0.00 C ATOM 730 O CYS A 50 -3.290 -2.215 1.905 1.00 0.00 O ATOM 731 CB CYS A 50 -2.962 -0.664 4.781 1.00 0.00 C ATOM 732 SG CYS A 50 -3.261 0.701 3.625 1.00 0.00 S ATOM 0 H CYS A 50 -1.345 -2.633 2.924 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.379 -2.780 4.999 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.711 -0.599 5.570 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.992 -0.495 5.248 1.00 0.00 H new ATOM 737 N GLU A 51 -5.118 -1.973 3.155 1.00 0.00 N ATOM 738 CA GLU A 51 -6.013 -1.967 1.960 1.00 0.00 C ATOM 739 C GLU A 51 -6.251 -0.514 1.521 1.00 0.00 C ATOM 740 O GLU A 51 -7.325 0.042 1.645 1.00 0.00 O ATOM 741 CB GLU A 51 -7.383 -2.678 2.299 1.00 0.00 C ATOM 742 CG GLU A 51 -7.520 -3.066 3.788 1.00 0.00 C ATOM 743 CD GLU A 51 -8.842 -3.830 3.973 1.00 0.00 C ATOM 744 OE1 GLU A 51 -8.796 -5.038 3.801 1.00 0.00 O ATOM 745 OE2 GLU A 51 -9.821 -3.165 4.274 1.00 0.00 O ATOM 0 H GLU A 51 -5.585 -1.867 4.055 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.541 -2.516 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.205 -2.016 2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.480 -3.575 1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.678 -3.685 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.507 -2.174 4.415 1.00 0.00 H new ATOM 752 N GLY A 52 -5.170 0.028 1.012 1.00 0.00 N ATOM 753 CA GLY A 52 -5.090 1.430 0.492 1.00 0.00 C ATOM 754 C GLY A 52 -5.956 2.468 1.210 1.00 0.00 C ATOM 755 O GLY A 52 -6.068 2.429 2.420 1.00 0.00 O ATOM 0 H GLY A 52 -4.288 -0.479 0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.051 1.756 0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.369 1.421 -0.562 1.00 0.00 H new ATOM 759 N GLU A 53 -6.542 3.357 0.437 1.00 0.00 N ATOM 760 CA GLU A 53 -7.413 4.432 1.012 1.00 0.00 C ATOM 761 C GLU A 53 -7.995 5.307 -0.130 1.00 0.00 C ATOM 762 O GLU A 53 -7.780 6.507 -0.126 1.00 0.00 O ATOM 763 CB GLU A 53 -6.556 5.319 1.974 1.00 0.00 C ATOM 764 CG GLU A 53 -7.438 6.319 2.759 1.00 0.00 C ATOM 765 CD GLU A 53 -6.558 7.488 3.238 1.00 0.00 C ATOM 766 OE1 GLU A 53 -6.251 8.310 2.388 1.00 0.00 O ATOM 767 OE2 GLU A 53 -6.240 7.500 4.417 1.00 0.00 O ATOM 0 H GLU A 53 -6.451 3.382 -0.579 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.237 3.980 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.016 4.682 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.809 5.865 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.244 6.689 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.903 5.823 3.611 1.00 0.00 H new ATOM 774 N SER A 54 -8.695 4.725 -1.082 1.00 0.00 N ATOM 775 CA SER A 54 -9.281 5.557 -2.204 1.00 0.00 C ATOM 776 C SER A 54 -9.892 6.887 -1.689 1.00 0.00 C ATOM 777 O SER A 54 -10.742 6.795 -0.816 1.00 0.00 O ATOM 778 CB SER A 54 -10.407 4.791 -2.931 1.00 0.00 C ATOM 779 OG SER A 54 -10.611 5.532 -4.125 1.00 0.00 O ATOM 0 H SER A 54 -8.887 3.725 -1.136 1.00 0.00 H new ATOM 0 HA SER A 54 -8.453 5.769 -2.881 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.117 3.762 -3.144 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.314 4.748 -2.328 1.00 0.00 H new ATOM 0 HG SER A 54 -11.318 5.109 -4.656 1.00 0.00 H new TER 785 SER A 54