USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 431 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 NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 27 ASN : amide:sc= 0.225 X(o=0.12,f=-0.015) USER MOD Set 1.2: A 28 GLN : amide:sc= -0.108 X(o=0.12,f=-0.015) USER MOD Single : A 1 SER N :NH3+ 168:sc= 0 (180deg=-0.176) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 40:sc= 0.166 USER MOD Single : A 11 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.15) USER MOD Single : A 21 GLN : amide:sc= 0.147 X(o=0.15,f=-0.038) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.439 K(o=-0.44,f=-4.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 69:sc= 0.288 USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= 1.96 (180deg=1.54) USER MOD Single : A 59 SER OG : rot 74:sc= 0.00407 USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0305) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.439 -2.340 -1.962 1.00 0.00 N ATOM 2 CA SER A 1 2.138 -1.404 -3.057 1.00 0.00 C ATOM 3 C SER A 1 2.911 -0.077 -2.854 1.00 0.00 C ATOM 4 O SER A 1 2.428 0.997 -3.235 1.00 0.00 O ATOM 5 CB SER A 1 0.603 -1.188 -3.119 1.00 0.00 C ATOM 6 OG SER A 1 0.087 -0.798 -1.858 1.00 0.00 O ATOM 0 H1 SER A 1 1.771 -3.137 -1.993 1.00 0.00 H new ATOM 0 H2 SER A 1 3.410 -2.697 -2.068 1.00 0.00 H new ATOM 0 H3 SER A 1 2.349 -1.848 -1.050 1.00 0.00 H new ATOM 0 HA SER A 1 2.465 -1.815 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.371 -0.424 -3.861 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.117 -2.108 -3.445 1.00 0.00 H new ATOM 0 HG SER A 1 -0.882 -0.667 -1.927 1.00 0.00 H new ATOM 14 N HIS A 2 4.140 -0.169 -2.285 1.00 0.00 N ATOM 15 CA HIS A 2 5.033 0.998 -2.074 1.00 0.00 C ATOM 16 C HIS A 2 5.824 1.306 -3.360 1.00 0.00 C ATOM 17 O HIS A 2 7.051 1.131 -3.422 1.00 0.00 O ATOM 18 CB HIS A 2 5.974 0.762 -0.857 1.00 0.00 C ATOM 19 CG HIS A 2 5.251 0.677 0.460 1.00 0.00 C ATOM 20 ND1 HIS A 2 5.223 -0.448 1.256 1.00 0.00 N ATOM 21 CD2 HIS A 2 4.518 1.615 1.116 1.00 0.00 C ATOM 22 CE1 HIS A 2 4.491 -0.165 2.340 1.00 0.00 C ATOM 23 NE2 HIS A 2 4.043 1.073 2.306 1.00 0.00 N ATOM 0 H HIS A 2 4.538 -1.051 -1.961 1.00 0.00 H new ATOM 0 HA HIS A 2 4.422 1.871 -1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 2 6.533 -0.161 -1.015 1.00 0.00 H new ATOM 0 HB3 HIS A 2 6.702 1.572 -0.810 1.00 0.00 H new ATOM 0 HD2 HIS A 2 4.334 2.621 0.769 1.00 0.00 H new ATOM 0 HE1 HIS A 2 4.293 -0.863 3.140 1.00 0.00 H new ATOM 0 HE2 HIS A 2 3.467 1.538 3.007 1.00 0.00 H new ATOM 31 N MET A 3 5.059 1.686 -4.409 1.00 0.00 N ATOM 32 CA MET A 3 5.560 2.174 -5.711 1.00 0.00 C ATOM 33 C MET A 3 6.413 1.143 -6.500 1.00 0.00 C ATOM 34 O MET A 3 6.823 1.450 -7.615 1.00 0.00 O ATOM 35 CB MET A 3 6.316 3.533 -5.545 1.00 0.00 C ATOM 36 CG MET A 3 5.440 4.714 -5.078 1.00 0.00 C ATOM 37 SD MET A 3 4.735 4.459 -3.428 1.00 0.00 S ATOM 38 CE MET A 3 3.658 5.879 -3.259 1.00 0.00 C ATOM 0 H MET A 3 4.040 1.660 -4.369 1.00 0.00 H new ATOM 0 HA MET A 3 4.673 2.334 -6.324 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.126 3.396 -4.829 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.775 3.795 -6.498 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.038 5.625 -5.075 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.632 4.866 -5.794 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.162 5.846 -2.289 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.247 6.793 -3.335 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.908 5.863 -4.050 1.00 0.00 H new ATOM 48 N CYS A 4 6.614 -0.088 -5.970 1.00 0.00 N ATOM 49 CA CYS A 4 7.508 -1.121 -6.573 1.00 0.00 C ATOM 50 C CYS A 4 8.981 -0.600 -6.673 1.00 0.00 C ATOM 51 O CYS A 4 9.219 0.415 -7.317 1.00 0.00 O ATOM 52 CB CYS A 4 6.990 -1.633 -7.973 1.00 0.00 C ATOM 53 SG CYS A 4 5.458 -0.860 -8.592 1.00 0.00 S ATOM 0 H CYS A 4 6.162 -0.399 -5.110 1.00 0.00 H new ATOM 0 HA CYS A 4 7.491 -1.980 -5.902 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.777 -1.473 -8.710 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.829 -2.709 -7.907 1.00 0.00 H new ATOM 58 N PRO A 5 9.995 -1.307 -6.072 1.00 0.00 N ATOM 59 CA PRO A 5 11.410 -0.826 -6.031 1.00 0.00 C ATOM 60 C PRO A 5 12.054 -0.731 -7.441 1.00 0.00 C ATOM 61 O PRO A 5 12.699 -1.670 -7.926 1.00 0.00 O ATOM 62 CB PRO A 5 12.115 -1.873 -5.123 1.00 0.00 C ATOM 63 CG PRO A 5 11.277 -3.104 -5.253 1.00 0.00 C ATOM 64 CD PRO A 5 9.852 -2.623 -5.399 1.00 0.00 C ATOM 0 HA PRO A 5 11.495 0.191 -5.648 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.140 -2.054 -5.447 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.164 -1.533 -4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.581 -3.693 -6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.385 -3.744 -4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.254 -3.314 -5.993 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.360 -2.527 -4.431 1.00 0.00 H new ATOM 72 N ALA A 6 11.815 0.416 -8.096 1.00 0.00 N ATOM 73 CA ALA A 6 12.301 0.726 -9.451 1.00 0.00 C ATOM 74 C ALA A 6 12.979 2.109 -9.463 1.00 0.00 C ATOM 75 O ALA A 6 12.912 2.854 -8.474 1.00 0.00 O ATOM 76 CB ALA A 6 11.136 0.662 -10.461 1.00 0.00 C ATOM 0 H ALA A 6 11.265 1.172 -7.689 1.00 0.00 H new ATOM 0 HA ALA A 6 13.042 -0.016 -9.747 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.507 0.893 -11.460 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.705 -0.339 -10.457 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.372 1.387 -10.181 1.00 0.00 H new ATOM 82 N VAL A 7 13.631 2.441 -10.590 1.00 0.00 N ATOM 83 CA VAL A 7 14.424 3.684 -10.743 1.00 0.00 C ATOM 84 C VAL A 7 13.508 4.933 -10.710 1.00 0.00 C ATOM 85 O VAL A 7 13.857 5.964 -10.114 1.00 0.00 O ATOM 86 CB VAL A 7 15.257 3.636 -12.080 1.00 0.00 C ATOM 87 CG1 VAL A 7 16.133 4.895 -12.273 1.00 0.00 C ATOM 88 CG2 VAL A 7 16.108 2.344 -12.150 1.00 0.00 C ATOM 0 H VAL A 7 13.626 1.857 -11.426 1.00 0.00 H new ATOM 0 HA VAL A 7 15.116 3.757 -9.904 1.00 0.00 H new ATOM 0 HB VAL A 7 14.543 3.623 -12.904 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.687 4.813 -13.208 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.497 5.780 -12.304 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.834 4.981 -11.443 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.675 2.332 -13.081 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.797 2.316 -11.306 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.452 1.474 -12.113 1.00 0.00 H new ATOM 98 N SER A 8 12.331 4.805 -11.339 1.00 0.00 N ATOM 99 CA SER A 8 11.280 5.829 -11.312 1.00 0.00 C ATOM 100 C SER A 8 9.925 5.166 -11.600 1.00 0.00 C ATOM 101 O SER A 8 9.681 4.684 -12.716 1.00 0.00 O ATOM 102 CB SER A 8 11.598 6.959 -12.327 1.00 0.00 C ATOM 103 OG SER A 8 11.858 6.441 -13.624 1.00 0.00 O ATOM 0 H SER A 8 12.081 3.981 -11.885 1.00 0.00 H new ATOM 0 HA SER A 8 11.236 6.290 -10.325 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.759 7.653 -12.374 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.462 7.526 -11.981 1.00 0.00 H new ATOM 0 HG SER A 8 11.234 5.710 -13.815 1.00 0.00 H new ATOM 109 N CYS A 9 9.061 5.086 -10.571 1.00 0.00 N ATOM 110 CA CYS A 9 7.721 4.491 -10.713 1.00 0.00 C ATOM 111 C CYS A 9 6.705 5.544 -11.150 1.00 0.00 C ATOM 112 O CYS A 9 6.354 6.449 -10.381 1.00 0.00 O ATOM 113 CB CYS A 9 7.227 3.835 -9.413 1.00 0.00 C ATOM 114 SG CYS A 9 5.601 2.991 -9.564 1.00 0.00 S ATOM 0 H CYS A 9 9.268 5.426 -9.632 1.00 0.00 H new ATOM 0 HA CYS A 9 7.810 3.716 -11.475 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.970 3.110 -9.080 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.157 4.598 -8.638 1.00 0.00 H new ATOM 119 N LEU A 10 6.264 5.424 -12.397 1.00 0.00 N ATOM 120 CA LEU A 10 5.073 6.116 -12.900 1.00 0.00 C ATOM 121 C LEU A 10 3.799 5.531 -12.260 1.00 0.00 C ATOM 122 O LEU A 10 3.807 4.402 -11.739 1.00 0.00 O ATOM 123 CB LEU A 10 4.979 6.102 -14.481 1.00 0.00 C ATOM 124 CG LEU A 10 5.510 4.855 -15.264 1.00 0.00 C ATOM 125 CD1 LEU A 10 7.038 4.902 -15.452 1.00 0.00 C ATOM 126 CD2 LEU A 10 5.065 3.544 -14.605 1.00 0.00 C ATOM 0 H LEU A 10 6.723 4.840 -13.096 1.00 0.00 H new ATOM 0 HA LEU A 10 5.163 7.162 -12.608 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.931 6.237 -14.749 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.517 6.975 -14.850 1.00 0.00 H new ATOM 0 HG LEU A 10 5.064 4.889 -16.258 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.365 4.018 -16.000 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.308 5.797 -16.013 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.524 4.924 -14.477 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.452 2.700 -15.176 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.450 3.500 -13.586 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.976 3.499 -14.584 1.00 0.00 H new ATOM 138 N GLN A 11 2.722 6.321 -12.272 1.00 0.00 N ATOM 139 CA GLN A 11 1.379 5.876 -11.880 1.00 0.00 C ATOM 140 C GLN A 11 0.566 5.636 -13.165 1.00 0.00 C ATOM 141 O GLN A 11 0.022 6.594 -13.734 1.00 0.00 O ATOM 142 CB GLN A 11 0.672 6.926 -10.958 1.00 0.00 C ATOM 143 CG GLN A 11 1.192 7.009 -9.501 1.00 0.00 C ATOM 144 CD GLN A 11 2.650 7.473 -9.357 1.00 0.00 C ATOM 145 OE1 GLN A 11 2.931 8.672 -9.301 1.00 0.00 O ATOM 146 NE2 GLN A 11 3.585 6.533 -9.277 1.00 0.00 N ATOM 0 H GLN A 11 2.757 7.300 -12.557 1.00 0.00 H new ATOM 0 HA GLN A 11 1.452 4.955 -11.302 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.775 7.910 -11.416 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.393 6.697 -10.930 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.552 7.691 -8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.092 6.027 -9.039 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.324 5.548 -9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.564 6.796 -9.166 1.00 0.00 H new ATOM 155 N PRO A 12 0.528 4.366 -13.699 1.00 0.00 N ATOM 156 CA PRO A 12 -0.278 4.035 -14.886 1.00 0.00 C ATOM 157 C PRO A 12 -1.783 4.228 -14.601 1.00 0.00 C ATOM 158 O PRO A 12 -2.367 3.520 -13.774 1.00 0.00 O ATOM 159 CB PRO A 12 0.082 2.553 -15.180 1.00 0.00 C ATOM 160 CG PRO A 12 0.593 2.012 -13.875 1.00 0.00 C ATOM 161 CD PRO A 12 1.266 3.181 -13.188 1.00 0.00 C ATOM 0 HA PRO A 12 -0.069 4.679 -15.740 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.789 1.996 -15.524 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.838 2.478 -15.962 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.222 1.616 -13.268 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.296 1.195 -14.037 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.194 3.103 -12.103 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.326 3.233 -13.435 1.00 0.00 H new ATOM 169 N GLU A 13 -2.383 5.221 -15.275 1.00 0.00 N ATOM 170 CA GLU A 13 -3.813 5.584 -15.125 1.00 0.00 C ATOM 171 C GLU A 13 -4.691 4.725 -16.046 1.00 0.00 C ATOM 172 O GLU A 13 -5.556 5.208 -16.786 1.00 0.00 O ATOM 173 CB GLU A 13 -3.988 7.103 -15.380 1.00 0.00 C ATOM 174 CG GLU A 13 -3.332 7.650 -16.671 1.00 0.00 C ATOM 175 CD GLU A 13 -3.554 9.160 -16.866 1.00 0.00 C ATOM 176 OE1 GLU A 13 -3.183 9.946 -15.966 1.00 0.00 O ATOM 177 OE2 GLU A 13 -4.120 9.572 -17.907 1.00 0.00 O ATOM 0 H GLU A 13 -1.889 5.805 -15.949 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.142 5.377 -14.107 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.054 7.326 -15.415 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.577 7.645 -14.528 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.262 7.447 -16.642 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.735 7.115 -17.531 1.00 0.00 H new ATOM 184 N GLY A 14 -4.473 3.427 -15.911 1.00 0.00 N ATOM 185 CA GLY A 14 -5.061 2.406 -16.759 1.00 0.00 C ATOM 186 C GLY A 14 -4.221 1.136 -16.734 1.00 0.00 C ATOM 187 O GLY A 14 -2.984 1.202 -16.708 1.00 0.00 O ATOM 0 H GLY A 14 -3.864 3.045 -15.187 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.074 2.185 -16.422 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.139 2.776 -17.781 1.00 0.00 H new ATOM 191 N ASP A 15 -4.890 -0.032 -16.766 1.00 0.00 N ATOM 192 CA ASP A 15 -4.238 -1.369 -16.784 1.00 0.00 C ATOM 193 C ASP A 15 -3.786 -1.766 -18.204 1.00 0.00 C ATOM 194 O ASP A 15 -3.585 -2.951 -18.501 1.00 0.00 O ATOM 195 CB ASP A 15 -5.215 -2.435 -16.216 1.00 0.00 C ATOM 196 CG ASP A 15 -5.640 -2.145 -14.768 1.00 0.00 C ATOM 197 OD1 ASP A 15 -6.578 -1.347 -14.560 1.00 0.00 O ATOM 198 OD2 ASP A 15 -5.038 -2.705 -13.822 1.00 0.00 O ATOM 0 H ASP A 15 -5.909 -0.082 -16.780 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.347 -1.317 -16.159 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.102 -2.481 -16.848 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.741 -3.416 -16.261 1.00 0.00 H new ATOM 203 N GLU A 16 -3.598 -0.754 -19.064 1.00 0.00 N ATOM 204 CA GLU A 16 -3.134 -0.915 -20.447 1.00 0.00 C ATOM 205 C GLU A 16 -1.632 -1.242 -20.511 1.00 0.00 C ATOM 206 O GLU A 16 -1.132 -1.678 -21.554 1.00 0.00 O ATOM 207 CB GLU A 16 -3.451 0.371 -21.239 1.00 0.00 C ATOM 208 CG GLU A 16 -2.850 1.667 -20.655 1.00 0.00 C ATOM 209 CD GLU A 16 -3.391 2.925 -21.346 1.00 0.00 C ATOM 210 OE1 GLU A 16 -4.447 3.445 -20.914 1.00 0.00 O ATOM 211 OE2 GLU A 16 -2.781 3.388 -22.335 1.00 0.00 O ATOM 0 H GLU A 16 -3.768 0.219 -18.810 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.659 -1.759 -20.895 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.088 0.249 -22.260 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.533 0.485 -21.297 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.070 1.718 -19.589 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.765 1.639 -20.755 1.00 0.00 H new ATOM 218 N VAL A 17 -0.916 -1.000 -19.394 1.00 0.00 N ATOM 219 CA VAL A 17 0.497 -1.387 -19.252 1.00 0.00 C ATOM 220 C VAL A 17 0.586 -2.887 -18.899 1.00 0.00 C ATOM 221 O VAL A 17 -0.219 -3.394 -18.102 1.00 0.00 O ATOM 222 CB VAL A 17 1.243 -0.515 -18.162 1.00 0.00 C ATOM 223 CG1 VAL A 17 1.193 0.989 -18.539 1.00 0.00 C ATOM 224 CG2 VAL A 17 0.680 -0.764 -16.730 1.00 0.00 C ATOM 0 H VAL A 17 -1.300 -0.534 -18.572 1.00 0.00 H new ATOM 0 HA VAL A 17 0.996 -1.204 -20.203 1.00 0.00 H new ATOM 0 HB VAL A 17 2.287 -0.827 -18.146 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.711 1.572 -17.778 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.678 1.139 -19.503 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.154 1.314 -18.601 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.221 -0.145 -16.014 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.379 -0.506 -16.705 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.804 -1.815 -16.468 1.00 0.00 H new ATOM 234 N ASP A 18 1.527 -3.602 -19.528 1.00 0.00 N ATOM 235 CA ASP A 18 1.786 -5.021 -19.227 1.00 0.00 C ATOM 236 C ASP A 18 2.859 -5.102 -18.128 1.00 0.00 C ATOM 237 O ASP A 18 3.683 -4.191 -17.993 1.00 0.00 O ATOM 238 CB ASP A 18 2.236 -5.787 -20.506 1.00 0.00 C ATOM 239 CG ASP A 18 2.307 -7.317 -20.284 1.00 0.00 C ATOM 240 OD1 ASP A 18 1.241 -7.969 -20.245 1.00 0.00 O ATOM 241 OD2 ASP A 18 3.411 -7.876 -20.145 1.00 0.00 O ATOM 0 H ASP A 18 2.129 -3.218 -20.257 1.00 0.00 H new ATOM 0 HA ASP A 18 0.869 -5.494 -18.875 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.541 -5.572 -21.318 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.214 -5.422 -20.819 1.00 0.00 H new ATOM 246 N TRP A 19 2.820 -6.178 -17.327 1.00 0.00 N ATOM 247 CA TRP A 19 3.761 -6.401 -16.212 1.00 0.00 C ATOM 248 C TRP A 19 4.820 -7.442 -16.599 1.00 0.00 C ATOM 249 O TRP A 19 4.571 -8.326 -17.420 1.00 0.00 O ATOM 250 CB TRP A 19 3.012 -6.873 -14.933 1.00 0.00 C ATOM 251 CG TRP A 19 1.957 -5.926 -14.413 1.00 0.00 C ATOM 252 CD1 TRP A 19 1.840 -4.580 -14.646 1.00 0.00 C ATOM 253 CD2 TRP A 19 0.881 -6.271 -13.540 1.00 0.00 C ATOM 254 NE1 TRP A 19 0.748 -4.082 -13.984 1.00 0.00 N ATOM 255 CE2 TRP A 19 0.149 -5.100 -13.294 1.00 0.00 C ATOM 256 CE3 TRP A 19 0.468 -7.465 -12.945 1.00 0.00 C ATOM 257 CZ2 TRP A 19 -0.976 -5.086 -12.478 1.00 0.00 C ATOM 258 CZ3 TRP A 19 -0.647 -7.453 -12.135 1.00 0.00 C ATOM 259 CH2 TRP A 19 -1.361 -6.268 -11.906 1.00 0.00 C ATOM 0 H TRP A 19 2.132 -6.923 -17.433 1.00 0.00 H new ATOM 0 HA TRP A 19 4.252 -5.451 -16.000 1.00 0.00 H new ATOM 0 HB2 TRP A 19 2.542 -7.834 -15.142 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.745 -7.041 -14.144 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.510 -3.998 -15.261 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.434 -3.112 -14.003 1.00 0.00 H new ATOM 0 HE3 TRP A 19 1.013 -8.382 -13.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.527 -4.174 -12.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.976 -8.370 -11.669 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -2.231 -6.289 -11.266 1.00 0.00 H new ATOM 270 N VAL A 20 5.991 -7.315 -15.971 1.00 0.00 N ATOM 271 CA VAL A 20 7.123 -8.222 -16.120 1.00 0.00 C ATOM 272 C VAL A 20 7.774 -8.416 -14.733 1.00 0.00 C ATOM 273 O VAL A 20 8.111 -7.433 -14.051 1.00 0.00 O ATOM 274 CB VAL A 20 8.163 -7.677 -17.176 1.00 0.00 C ATOM 275 CG1 VAL A 20 8.700 -6.259 -16.828 1.00 0.00 C ATOM 276 CG2 VAL A 20 9.311 -8.682 -17.380 1.00 0.00 C ATOM 0 H VAL A 20 6.180 -6.550 -15.323 1.00 0.00 H new ATOM 0 HA VAL A 20 6.776 -9.183 -16.499 1.00 0.00 H new ATOM 0 HB VAL A 20 7.627 -7.570 -18.119 1.00 0.00 H new ATOM 0 HG11 VAL A 20 9.410 -5.941 -17.592 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.869 -5.555 -16.790 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.198 -6.286 -15.859 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.016 -8.286 -18.111 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.825 -8.845 -16.433 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.907 -9.628 -17.741 1.00 0.00 H new ATOM 286 N GLN A 21 7.890 -9.681 -14.293 1.00 0.00 N ATOM 287 CA GLN A 21 8.559 -10.019 -13.029 1.00 0.00 C ATOM 288 C GLN A 21 10.060 -10.144 -13.289 1.00 0.00 C ATOM 289 O GLN A 21 10.472 -10.651 -14.350 1.00 0.00 O ATOM 290 CB GLN A 21 7.960 -11.307 -12.383 1.00 0.00 C ATOM 291 CG GLN A 21 8.303 -11.474 -10.875 1.00 0.00 C ATOM 292 CD GLN A 21 7.424 -12.491 -10.135 1.00 0.00 C ATOM 293 OE1 GLN A 21 7.002 -13.501 -10.693 1.00 0.00 O ATOM 294 NE2 GLN A 21 7.101 -12.200 -8.877 1.00 0.00 N ATOM 0 H GLN A 21 7.526 -10.489 -14.799 1.00 0.00 H new ATOM 0 HA GLN A 21 8.391 -9.223 -12.304 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.876 -11.290 -12.499 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.325 -12.178 -12.927 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.346 -11.778 -10.783 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.209 -10.505 -10.384 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.466 -11.354 -8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.488 -12.823 -8.351 1.00 0.00 H new ATOM 303 N CYS A 22 10.867 -9.673 -12.330 1.00 0.00 N ATOM 304 CA CYS A 22 12.305 -9.475 -12.535 1.00 0.00 C ATOM 305 C CYS A 22 13.054 -10.822 -12.714 1.00 0.00 C ATOM 306 O CYS A 22 12.635 -11.859 -12.197 1.00 0.00 O ATOM 307 CB CYS A 22 12.912 -8.622 -11.386 1.00 0.00 C ATOM 308 SG CYS A 22 14.112 -7.382 -11.980 1.00 0.00 S ATOM 0 H CYS A 22 10.543 -9.420 -11.396 1.00 0.00 H new ATOM 0 HA CYS A 22 12.436 -8.922 -13.465 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.108 -8.115 -10.852 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.403 -9.282 -10.671 1.00 0.00 H new ATOM 313 N ASP A 23 14.157 -10.750 -13.456 1.00 0.00 N ATOM 314 CA ASP A 23 14.994 -11.896 -13.871 1.00 0.00 C ATOM 315 C ASP A 23 15.805 -12.500 -12.698 1.00 0.00 C ATOM 316 O ASP A 23 15.881 -13.723 -12.542 1.00 0.00 O ATOM 317 CB ASP A 23 15.967 -11.395 -14.967 1.00 0.00 C ATOM 318 CG ASP A 23 16.914 -10.305 -14.435 1.00 0.00 C ATOM 319 OD1 ASP A 23 16.438 -9.176 -14.115 1.00 0.00 O ATOM 320 OD2 ASP A 23 18.115 -10.585 -14.243 1.00 0.00 O ATOM 0 H ASP A 23 14.515 -9.860 -13.803 1.00 0.00 H new ATOM 0 HA ASP A 23 14.340 -12.687 -14.240 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.553 -12.233 -15.344 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.396 -11.002 -15.808 1.00 0.00 H new ATOM 325 N GLY A 24 16.410 -11.611 -11.885 1.00 0.00 N ATOM 326 CA GLY A 24 17.418 -11.990 -10.889 1.00 0.00 C ATOM 327 C GLY A 24 16.799 -12.466 -9.578 1.00 0.00 C ATOM 328 O GLY A 24 15.895 -13.317 -9.575 1.00 0.00 O ATOM 0 H GLY A 24 16.210 -10.611 -11.905 1.00 0.00 H new ATOM 0 HA2 GLY A 24 18.047 -12.781 -11.297 1.00 0.00 H new ATOM 0 HA3 GLY A 24 18.067 -11.137 -10.691 1.00 0.00 H new ATOM 332 N SER A 25 17.268 -11.882 -8.461 1.00 0.00 N ATOM 333 CA SER A 25 16.701 -12.106 -7.125 1.00 0.00 C ATOM 334 C SER A 25 16.230 -10.750 -6.588 1.00 0.00 C ATOM 335 O SER A 25 16.898 -10.085 -5.799 1.00 0.00 O ATOM 336 CB SER A 25 17.722 -12.805 -6.186 1.00 0.00 C ATOM 337 OG SER A 25 17.170 -13.106 -4.912 1.00 0.00 O ATOM 0 H SER A 25 18.058 -11.237 -8.463 1.00 0.00 H new ATOM 0 HA SER A 25 15.850 -12.785 -7.177 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.071 -13.725 -6.654 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.593 -12.162 -6.059 1.00 0.00 H new ATOM 0 HG SER A 25 17.848 -13.546 -4.357 1.00 0.00 H new ATOM 343 N CYS A 26 15.099 -10.311 -7.127 1.00 0.00 N ATOM 344 CA CYS A 26 14.415 -9.068 -6.740 1.00 0.00 C ATOM 345 C CYS A 26 13.061 -9.396 -6.095 1.00 0.00 C ATOM 346 O CYS A 26 12.533 -8.595 -5.312 1.00 0.00 O ATOM 347 CB CYS A 26 14.206 -8.162 -7.975 1.00 0.00 C ATOM 348 SG CYS A 26 15.638 -7.149 -8.459 1.00 0.00 S ATOM 0 H CYS A 26 14.613 -10.819 -7.866 1.00 0.00 H new ATOM 0 HA CYS A 26 15.036 -8.537 -6.018 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.926 -8.790 -8.821 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.364 -7.498 -7.778 1.00 0.00 H new ATOM 353 N ASN A 27 12.486 -10.558 -6.508 1.00 0.00 N ATOM 354 CA ASN A 27 11.170 -11.070 -6.056 1.00 0.00 C ATOM 355 C ASN A 27 9.990 -10.337 -6.741 1.00 0.00 C ATOM 356 O ASN A 27 8.991 -10.966 -7.100 1.00 0.00 O ATOM 357 CB ASN A 27 11.027 -11.063 -4.500 1.00 0.00 C ATOM 358 CG ASN A 27 9.679 -11.601 -4.000 1.00 0.00 C ATOM 359 OD1 ASN A 27 9.512 -12.804 -3.820 1.00 0.00 O ATOM 360 ND2 ASN A 27 8.723 -10.715 -3.763 1.00 0.00 N ATOM 0 H ASN A 27 12.939 -11.177 -7.181 1.00 0.00 H new ATOM 0 HA ASN A 27 11.127 -12.113 -6.371 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.829 -11.661 -4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.158 -10.044 -4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.814 -11.025 -3.420 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.896 -9.723 -3.924 1.00 0.00 H new ATOM 367 N GLN A 28 10.133 -9.025 -6.964 1.00 0.00 N ATOM 368 CA GLN A 28 9.018 -8.143 -7.333 1.00 0.00 C ATOM 369 C GLN A 28 8.744 -8.142 -8.841 1.00 0.00 C ATOM 370 O GLN A 28 9.651 -8.336 -9.668 1.00 0.00 O ATOM 371 CB GLN A 28 9.304 -6.706 -6.827 1.00 0.00 C ATOM 372 CG GLN A 28 9.557 -6.618 -5.304 1.00 0.00 C ATOM 373 CD GLN A 28 8.394 -7.131 -4.437 1.00 0.00 C ATOM 374 OE1 GLN A 28 8.607 -7.678 -3.355 1.00 0.00 O ATOM 375 NE2 GLN A 28 7.155 -6.917 -4.878 1.00 0.00 N ATOM 0 H GLN A 28 11.029 -8.543 -6.893 1.00 0.00 H new ATOM 0 HA GLN A 28 8.117 -8.528 -6.855 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.173 -6.312 -7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.459 -6.066 -7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.454 -7.189 -5.063 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.760 -5.580 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.006 -6.462 -5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.356 -7.209 -4.315 1.00 0.00 H new ATOM 384 N TRP A 29 7.461 -7.948 -9.157 1.00 0.00 N ATOM 385 CA TRP A 29 6.956 -7.722 -10.512 1.00 0.00 C ATOM 386 C TRP A 29 6.628 -6.237 -10.661 1.00 0.00 C ATOM 387 O TRP A 29 6.114 -5.592 -9.732 1.00 0.00 O ATOM 388 CB TRP A 29 5.718 -8.624 -10.814 1.00 0.00 C ATOM 389 CG TRP A 29 4.751 -8.748 -9.665 1.00 0.00 C ATOM 390 CD1 TRP A 29 4.851 -9.621 -8.623 1.00 0.00 C ATOM 391 CD2 TRP A 29 3.566 -7.977 -9.430 1.00 0.00 C ATOM 392 NE1 TRP A 29 3.813 -9.446 -7.761 1.00 0.00 N ATOM 393 CE2 TRP A 29 3.010 -8.440 -8.227 1.00 0.00 C ATOM 394 CE3 TRP A 29 2.926 -6.933 -10.114 1.00 0.00 C ATOM 395 CZ2 TRP A 29 1.843 -7.909 -7.695 1.00 0.00 C ATOM 396 CZ3 TRP A 29 1.766 -6.403 -9.584 1.00 0.00 C ATOM 397 CH2 TRP A 29 1.238 -6.888 -8.380 1.00 0.00 C ATOM 0 H TRP A 29 6.722 -7.944 -8.454 1.00 0.00 H new ATOM 0 HA TRP A 29 7.717 -7.997 -11.242 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.190 -8.220 -11.677 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.066 -9.619 -11.091 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.641 -10.347 -8.499 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.658 -9.979 -6.905 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.333 -6.551 -11.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 1.426 -8.287 -6.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.259 -5.604 -10.104 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.335 -6.448 -7.984 1.00 0.00 H new ATOM 408 N PHE A 30 6.976 -5.706 -11.816 1.00 0.00 N ATOM 409 CA PHE A 30 6.850 -4.284 -12.145 1.00 0.00 C ATOM 410 C PHE A 30 5.990 -4.158 -13.400 1.00 0.00 C ATOM 411 O PHE A 30 5.774 -5.138 -14.097 1.00 0.00 O ATOM 412 CB PHE A 30 8.262 -3.673 -12.407 1.00 0.00 C ATOM 413 CG PHE A 30 9.283 -3.963 -11.315 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.407 -3.127 -10.209 1.00 0.00 C ATOM 415 CD2 PHE A 30 10.121 -5.076 -11.398 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.331 -3.397 -9.221 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.047 -5.343 -10.408 1.00 0.00 C ATOM 418 CZ PHE A 30 11.154 -4.500 -9.321 1.00 0.00 C ATOM 0 H PHE A 30 7.366 -6.260 -12.579 1.00 0.00 H new ATOM 0 HA PHE A 30 6.388 -3.747 -11.317 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.641 -4.057 -13.354 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.163 -2.593 -12.518 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.773 -2.257 -10.123 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.045 -5.738 -12.248 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.411 -2.742 -8.366 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.686 -6.210 -10.485 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.881 -4.703 -8.549 1.00 0.00 H new ATOM 428 N HIS A 31 5.470 -2.959 -13.664 1.00 0.00 N ATOM 429 CA HIS A 31 4.996 -2.586 -15.021 1.00 0.00 C ATOM 430 C HIS A 31 6.257 -2.473 -15.902 1.00 0.00 C ATOM 431 O HIS A 31 7.321 -2.092 -15.394 1.00 0.00 O ATOM 432 CB HIS A 31 4.143 -1.250 -15.025 1.00 0.00 C ATOM 433 CG HIS A 31 3.844 -0.688 -13.651 1.00 0.00 C ATOM 434 ND1 HIS A 31 3.165 -1.380 -12.682 1.00 0.00 N ATOM 435 CD2 HIS A 31 4.369 0.384 -13.037 1.00 0.00 C ATOM 436 CE1 HIS A 31 3.349 -0.728 -11.524 1.00 0.00 C ATOM 437 NE2 HIS A 31 4.113 0.355 -11.679 1.00 0.00 N ATOM 0 H HIS A 31 5.361 -2.223 -12.966 1.00 0.00 H new ATOM 0 HA HIS A 31 4.314 -3.343 -15.408 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.677 -0.496 -15.603 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.200 -1.438 -15.539 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.621 -2.232 -12.816 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.919 1.167 -13.538 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.929 -1.042 -10.580 1.00 0.00 H new ATOM 445 N GLN A 32 6.162 -2.814 -17.191 1.00 0.00 N ATOM 446 CA GLN A 32 7.333 -2.781 -18.092 1.00 0.00 C ATOM 447 C GLN A 32 7.943 -1.367 -18.141 1.00 0.00 C ATOM 448 O GLN A 32 9.161 -1.196 -18.068 1.00 0.00 O ATOM 449 CB GLN A 32 6.950 -3.260 -19.501 1.00 0.00 C ATOM 450 CG GLN A 32 6.596 -4.757 -19.584 1.00 0.00 C ATOM 451 CD GLN A 32 6.294 -5.206 -21.006 1.00 0.00 C ATOM 452 OE1 GLN A 32 6.779 -4.620 -21.954 1.00 0.00 O ATOM 453 NE2 GLN A 32 5.527 -6.264 -21.162 1.00 0.00 N ATOM 0 H GLN A 32 5.296 -3.115 -17.638 1.00 0.00 H new ATOM 0 HA GLN A 32 8.086 -3.462 -17.696 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.099 -2.677 -19.852 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.778 -3.056 -20.180 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.424 -5.345 -19.189 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.731 -4.958 -18.951 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.135 -6.734 -20.346 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.325 -6.614 -22.099 1.00 0.00 H new ATOM 462 N VAL A 33 7.057 -0.371 -18.191 1.00 0.00 N ATOM 463 CA VAL A 33 7.428 1.051 -18.163 1.00 0.00 C ATOM 464 C VAL A 33 8.032 1.489 -16.793 1.00 0.00 C ATOM 465 O VAL A 33 8.812 2.444 -16.739 1.00 0.00 O ATOM 466 CB VAL A 33 6.186 1.935 -18.535 1.00 0.00 C ATOM 467 CG1 VAL A 33 5.768 1.693 -20.003 1.00 0.00 C ATOM 468 CG2 VAL A 33 4.987 1.673 -17.585 1.00 0.00 C ATOM 0 H VAL A 33 6.051 -0.527 -18.253 1.00 0.00 H new ATOM 0 HA VAL A 33 8.212 1.198 -18.906 1.00 0.00 H new ATOM 0 HB VAL A 33 6.481 2.978 -18.417 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.905 2.314 -20.243 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.596 1.950 -20.664 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.508 0.643 -20.139 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.147 2.304 -17.876 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.693 0.625 -17.650 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.277 1.905 -16.560 1.00 0.00 H new ATOM 478 N CYS A 34 7.667 0.765 -15.699 1.00 0.00 N ATOM 479 CA CYS A 34 8.203 1.013 -14.310 1.00 0.00 C ATOM 480 C CYS A 34 9.738 0.882 -14.267 1.00 0.00 C ATOM 481 O CYS A 34 10.411 1.637 -13.574 1.00 0.00 O ATOM 482 CB CYS A 34 7.596 0.015 -13.287 1.00 0.00 C ATOM 483 SG CYS A 34 7.727 0.442 -11.510 1.00 0.00 S ATOM 0 H CYS A 34 6.998 -0.004 -15.743 1.00 0.00 H new ATOM 0 HA CYS A 34 7.918 2.031 -14.044 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.540 -0.111 -13.526 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.074 -0.953 -13.437 1.00 0.00 H new ATOM 488 N VAL A 35 10.261 -0.110 -15.011 1.00 0.00 N ATOM 489 CA VAL A 35 11.713 -0.411 -15.091 1.00 0.00 C ATOM 490 C VAL A 35 12.320 0.065 -16.429 1.00 0.00 C ATOM 491 O VAL A 35 13.525 -0.093 -16.659 1.00 0.00 O ATOM 492 CB VAL A 35 11.985 -1.951 -14.863 1.00 0.00 C ATOM 493 CG1 VAL A 35 11.830 -2.325 -13.369 1.00 0.00 C ATOM 494 CG2 VAL A 35 11.052 -2.821 -15.748 1.00 0.00 C ATOM 0 H VAL A 35 9.688 -0.733 -15.580 1.00 0.00 H new ATOM 0 HA VAL A 35 12.206 0.143 -14.292 1.00 0.00 H new ATOM 0 HB VAL A 35 13.014 -2.154 -15.159 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.022 -3.390 -13.239 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.542 -1.752 -12.775 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.816 -2.096 -13.040 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.261 -3.876 -15.570 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.012 -2.610 -15.497 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.226 -2.589 -16.799 1.00 0.00 H new ATOM 504 N GLY A 36 11.469 0.644 -17.305 1.00 0.00 N ATOM 505 CA GLY A 36 11.914 1.245 -18.574 1.00 0.00 C ATOM 506 C GLY A 36 12.199 0.223 -19.675 1.00 0.00 C ATOM 507 O GLY A 36 12.850 0.546 -20.673 1.00 0.00 O ATOM 0 H GLY A 36 10.463 0.706 -17.151 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.150 1.939 -18.924 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.816 1.830 -18.392 1.00 0.00 H new ATOM 511 N VAL A 37 11.708 -1.014 -19.490 1.00 0.00 N ATOM 512 CA VAL A 37 11.874 -2.104 -20.469 1.00 0.00 C ATOM 513 C VAL A 37 10.688 -2.104 -21.458 1.00 0.00 C ATOM 514 O VAL A 37 9.538 -1.934 -21.052 1.00 0.00 O ATOM 515 CB VAL A 37 11.984 -3.498 -19.751 1.00 0.00 C ATOM 516 CG1 VAL A 37 12.147 -4.664 -20.755 1.00 0.00 C ATOM 517 CG2 VAL A 37 13.145 -3.494 -18.725 1.00 0.00 C ATOM 0 H VAL A 37 11.185 -1.287 -18.658 1.00 0.00 H new ATOM 0 HA VAL A 37 12.800 -1.935 -21.018 1.00 0.00 H new ATOM 0 HB VAL A 37 11.046 -3.660 -19.221 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.219 -5.606 -20.211 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.284 -4.694 -21.420 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.053 -4.515 -21.342 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.204 -4.468 -18.239 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.084 -3.287 -19.239 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.965 -2.724 -17.975 1.00 0.00 H new ATOM 527 N SER A 38 10.991 -2.278 -22.752 1.00 0.00 N ATOM 528 CA SER A 38 9.985 -2.350 -23.828 1.00 0.00 C ATOM 529 C SER A 38 9.543 -3.824 -24.049 1.00 0.00 C ATOM 530 O SER A 38 10.327 -4.733 -23.753 1.00 0.00 O ATOM 531 CB SER A 38 10.596 -1.741 -25.107 1.00 0.00 C ATOM 532 OG SER A 38 11.075 -0.429 -24.864 1.00 0.00 O ATOM 0 H SER A 38 11.950 -2.374 -23.087 1.00 0.00 H new ATOM 0 HA SER A 38 9.094 -1.784 -23.557 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.412 -2.371 -25.460 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.846 -1.718 -25.898 1.00 0.00 H new ATOM 0 HG SER A 38 11.459 -0.063 -25.688 1.00 0.00 H new ATOM 538 N PRO A 39 8.273 -4.078 -24.546 1.00 0.00 N ATOM 539 CA PRO A 39 7.720 -5.450 -24.758 1.00 0.00 C ATOM 540 C PRO A 39 8.674 -6.423 -25.484 1.00 0.00 C ATOM 541 O PRO A 39 9.029 -7.469 -24.941 1.00 0.00 O ATOM 542 CB PRO A 39 6.438 -5.189 -25.586 1.00 0.00 C ATOM 543 CG PRO A 39 5.985 -3.836 -25.140 1.00 0.00 C ATOM 544 CD PRO A 39 7.254 -3.045 -24.898 1.00 0.00 C ATOM 0 HA PRO A 39 7.544 -5.953 -23.807 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.644 -5.208 -26.656 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.678 -5.947 -25.394 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.364 -3.360 -25.899 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.385 -3.902 -24.233 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.547 -2.483 -25.785 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.125 -2.323 -24.092 1.00 0.00 H new ATOM 552 N GLU A 40 9.118 -6.033 -26.688 1.00 0.00 N ATOM 553 CA GLU A 40 9.987 -6.878 -27.537 1.00 0.00 C ATOM 554 C GLU A 40 11.381 -7.069 -26.913 1.00 0.00 C ATOM 555 O GLU A 40 12.035 -8.076 -27.156 1.00 0.00 O ATOM 556 CB GLU A 40 10.126 -6.257 -28.942 1.00 0.00 C ATOM 557 CG GLU A 40 8.797 -6.096 -29.693 1.00 0.00 C ATOM 558 CD GLU A 40 8.960 -5.424 -31.062 1.00 0.00 C ATOM 559 OE1 GLU A 40 9.225 -6.132 -32.059 1.00 0.00 O ATOM 560 OE2 GLU A 40 8.831 -4.186 -31.149 1.00 0.00 O ATOM 0 H GLU A 40 8.890 -5.130 -27.103 1.00 0.00 H new ATOM 0 HA GLU A 40 9.516 -7.858 -27.616 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.599 -5.279 -28.850 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.794 -6.879 -29.538 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.341 -7.077 -29.828 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.111 -5.507 -29.084 1.00 0.00 H new ATOM 567 N MET A 41 11.821 -6.088 -26.112 1.00 0.00 N ATOM 568 CA MET A 41 13.110 -6.161 -25.401 1.00 0.00 C ATOM 569 C MET A 41 13.009 -7.143 -24.213 1.00 0.00 C ATOM 570 O MET A 41 13.982 -7.802 -23.863 1.00 0.00 O ATOM 571 CB MET A 41 13.551 -4.747 -24.939 1.00 0.00 C ATOM 572 CG MET A 41 13.767 -3.754 -26.088 1.00 0.00 C ATOM 573 SD MET A 41 14.262 -2.120 -25.500 1.00 0.00 S ATOM 574 CE MET A 41 14.456 -1.232 -27.045 1.00 0.00 C ATOM 0 H MET A 41 11.301 -5.228 -25.938 1.00 0.00 H new ATOM 0 HA MET A 41 13.873 -6.539 -26.081 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.797 -4.345 -24.262 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.476 -4.834 -24.369 1.00 0.00 H new ATOM 0 HG2 MET A 41 14.531 -4.142 -26.761 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.847 -3.666 -26.667 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.760 -0.206 -26.839 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.217 -1.721 -27.653 1.00 0.00 H new ATOM 0 HE3 MET A 41 13.509 -1.228 -27.584 1.00 0.00 H new ATOM 584 N ALA A 42 11.808 -7.243 -23.616 1.00 0.00 N ATOM 585 CA ALA A 42 11.522 -8.192 -22.524 1.00 0.00 C ATOM 586 C ALA A 42 11.366 -9.636 -23.059 1.00 0.00 C ATOM 587 O ALA A 42 11.764 -10.603 -22.398 1.00 0.00 O ATOM 588 CB ALA A 42 10.258 -7.751 -21.760 1.00 0.00 C ATOM 0 H ALA A 42 11.007 -6.668 -23.877 1.00 0.00 H new ATOM 0 HA ALA A 42 12.368 -8.188 -21.837 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.054 -8.457 -20.955 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.415 -6.758 -21.340 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.410 -7.726 -22.444 1.00 0.00 H new ATOM 594 N GLU A 43 10.789 -9.759 -24.266 1.00 0.00 N ATOM 595 CA GLU A 43 10.483 -11.058 -24.896 1.00 0.00 C ATOM 596 C GLU A 43 11.737 -11.670 -25.549 1.00 0.00 C ATOM 597 O GLU A 43 12.052 -12.843 -25.328 1.00 0.00 O ATOM 598 CB GLU A 43 9.360 -10.875 -25.952 1.00 0.00 C ATOM 599 CG GLU A 43 7.998 -10.472 -25.359 1.00 0.00 C ATOM 600 CD GLU A 43 6.952 -10.140 -26.434 1.00 0.00 C ATOM 601 OE1 GLU A 43 6.862 -8.963 -26.845 1.00 0.00 O ATOM 602 OE2 GLU A 43 6.232 -11.057 -26.894 1.00 0.00 O ATOM 0 H GLU A 43 10.520 -8.957 -24.836 1.00 0.00 H new ATOM 0 HA GLU A 43 10.142 -11.745 -24.121 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.671 -10.115 -26.669 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.242 -11.806 -26.506 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.625 -11.284 -24.735 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.132 -9.607 -24.710 1.00 0.00 H new ATOM 609 N LYS A 44 12.449 -10.856 -26.346 1.00 0.00 N ATOM 610 CA LYS A 44 13.572 -11.323 -27.192 1.00 0.00 C ATOM 611 C LYS A 44 14.924 -11.223 -26.464 1.00 0.00 C ATOM 612 O LYS A 44 15.870 -11.948 -26.807 1.00 0.00 O ATOM 613 CB LYS A 44 13.624 -10.512 -28.520 1.00 0.00 C ATOM 614 CG LYS A 44 12.342 -10.592 -29.380 1.00 0.00 C ATOM 615 CD LYS A 44 12.037 -12.016 -29.900 1.00 0.00 C ATOM 616 CE LYS A 44 10.752 -12.077 -30.745 1.00 0.00 C ATOM 617 NZ LYS A 44 10.491 -13.450 -31.250 1.00 0.00 N ATOM 0 H LYS A 44 12.266 -9.856 -26.426 1.00 0.00 H new ATOM 0 HA LYS A 44 13.392 -12.375 -27.415 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.821 -9.466 -28.283 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.466 -10.868 -29.114 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.496 -10.240 -28.790 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.441 -9.917 -30.230 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.877 -12.368 -30.498 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.943 -12.695 -29.053 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.906 -11.743 -30.145 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.837 -11.390 -31.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.618 -13.452 -31.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.287 -13.759 -31.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.385 -14.101 -30.446 1.00 0.00 H new ATOM 631 N GLU A 45 15.027 -10.303 -25.486 1.00 0.00 N ATOM 632 CA GLU A 45 16.278 -10.045 -24.746 1.00 0.00 C ATOM 633 C GLU A 45 16.047 -10.215 -23.240 1.00 0.00 C ATOM 634 O GLU A 45 14.907 -10.336 -22.782 1.00 0.00 O ATOM 635 CB GLU A 45 16.784 -8.606 -25.046 1.00 0.00 C ATOM 636 CG GLU A 45 16.964 -8.279 -26.537 1.00 0.00 C ATOM 637 CD GLU A 45 17.411 -6.829 -26.780 1.00 0.00 C ATOM 638 OE1 GLU A 45 16.550 -5.928 -26.831 1.00 0.00 O ATOM 639 OE2 GLU A 45 18.632 -6.581 -26.901 1.00 0.00 O ATOM 0 H GLU A 45 14.247 -9.718 -25.187 1.00 0.00 H new ATOM 0 HA GLU A 45 17.032 -10.763 -25.069 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.081 -7.893 -24.615 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.738 -8.459 -24.539 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.700 -8.958 -26.967 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.024 -8.457 -27.059 1.00 0.00 H new ATOM 646 N ASP A 46 17.145 -10.212 -22.479 1.00 0.00 N ATOM 647 CA ASP A 46 17.101 -10.324 -21.018 1.00 0.00 C ATOM 648 C ASP A 46 16.893 -8.941 -20.374 1.00 0.00 C ATOM 649 O ASP A 46 17.683 -8.014 -20.599 1.00 0.00 O ATOM 650 CB ASP A 46 18.390 -10.992 -20.498 1.00 0.00 C ATOM 651 CG ASP A 46 18.561 -12.443 -20.991 1.00 0.00 C ATOM 652 OD1 ASP A 46 17.893 -13.354 -20.444 1.00 0.00 O ATOM 653 OD2 ASP A 46 19.365 -12.690 -21.917 1.00 0.00 O ATOM 0 H ASP A 46 18.089 -10.132 -22.858 1.00 0.00 H new ATOM 0 HA ASP A 46 16.254 -10.951 -20.739 1.00 0.00 H new ATOM 0 HB2 ASP A 46 19.251 -10.403 -20.815 1.00 0.00 H new ATOM 0 HB3 ASP A 46 18.382 -10.984 -19.408 1.00 0.00 H new ATOM 658 N TYR A 47 15.834 -8.833 -19.565 1.00 0.00 N ATOM 659 CA TYR A 47 15.434 -7.585 -18.870 1.00 0.00 C ATOM 660 C TYR A 47 16.139 -7.466 -17.502 1.00 0.00 C ATOM 661 O TYR A 47 15.507 -7.161 -16.470 1.00 0.00 O ATOM 662 CB TYR A 47 13.884 -7.534 -18.732 1.00 0.00 C ATOM 663 CG TYR A 47 13.212 -8.872 -18.357 1.00 0.00 C ATOM 664 CD1 TYR A 47 13.391 -9.462 -17.104 1.00 0.00 C ATOM 665 CD2 TYR A 47 12.392 -9.542 -19.266 1.00 0.00 C ATOM 666 CE1 TYR A 47 12.772 -10.664 -16.777 1.00 0.00 C ATOM 667 CE2 TYR A 47 11.774 -10.737 -18.945 1.00 0.00 C ATOM 668 CZ TYR A 47 11.969 -11.297 -17.702 1.00 0.00 C ATOM 669 OH TYR A 47 11.348 -12.494 -17.390 1.00 0.00 O ATOM 0 H TYR A 47 15.214 -9.618 -19.365 1.00 0.00 H new ATOM 0 HA TYR A 47 15.750 -6.727 -19.464 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.627 -6.792 -17.976 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.463 -7.186 -19.675 1.00 0.00 H new ATOM 0 HD1 TYR A 47 14.022 -8.976 -16.375 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.236 -9.116 -20.246 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.920 -11.101 -15.800 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.140 -11.230 -19.667 1.00 0.00 H new ATOM 0 HH TYR A 47 10.820 -12.798 -18.157 1.00 0.00 H new ATOM 679 N ILE A 48 17.460 -7.673 -17.524 1.00 0.00 N ATOM 680 CA ILE A 48 18.301 -7.651 -16.323 1.00 0.00 C ATOM 681 C ILE A 48 18.477 -6.206 -15.836 1.00 0.00 C ATOM 682 O ILE A 48 19.200 -5.404 -16.448 1.00 0.00 O ATOM 683 CB ILE A 48 19.704 -8.350 -16.550 1.00 0.00 C ATOM 684 CG1 ILE A 48 19.519 -9.749 -17.225 1.00 0.00 C ATOM 685 CG2 ILE A 48 20.487 -8.497 -15.215 1.00 0.00 C ATOM 686 CD1 ILE A 48 20.803 -10.525 -17.509 1.00 0.00 C ATOM 0 H ILE A 48 17.979 -7.862 -18.382 1.00 0.00 H new ATOM 0 HA ILE A 48 17.791 -8.230 -15.553 1.00 0.00 H new ATOM 0 HB ILE A 48 20.287 -7.712 -17.215 1.00 0.00 H new ATOM 0 HG12 ILE A 48 18.882 -10.359 -16.584 1.00 0.00 H new ATOM 0 HG13 ILE A 48 18.985 -9.610 -18.165 1.00 0.00 H new ATOM 0 HG21 ILE A 48 21.445 -8.980 -15.406 1.00 0.00 H new ATOM 0 HG22 ILE A 48 20.658 -7.511 -14.783 1.00 0.00 H new ATOM 0 HG23 ILE A 48 19.908 -9.103 -14.518 1.00 0.00 H new ATOM 0 HD11 ILE A 48 20.556 -11.478 -17.977 1.00 0.00 H new ATOM 0 HD12 ILE A 48 21.438 -9.945 -18.179 1.00 0.00 H new ATOM 0 HD13 ILE A 48 21.333 -10.706 -16.574 1.00 0.00 H new ATOM 698 N CYS A 49 17.765 -5.885 -14.737 1.00 0.00 N ATOM 699 CA CYS A 49 17.796 -4.552 -14.110 1.00 0.00 C ATOM 700 C CYS A 49 19.168 -4.307 -13.463 1.00 0.00 C ATOM 701 O CYS A 49 19.914 -5.268 -13.212 1.00 0.00 O ATOM 702 CB CYS A 49 16.669 -4.397 -13.047 1.00 0.00 C ATOM 703 SG CYS A 49 17.063 -5.049 -11.381 1.00 0.00 S ATOM 0 H CYS A 49 17.152 -6.546 -14.260 1.00 0.00 H new ATOM 0 HA CYS A 49 17.626 -3.810 -14.890 1.00 0.00 H new ATOM 0 HB2 CYS A 49 16.423 -3.339 -12.955 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.775 -4.902 -13.414 1.00 0.00 H new ATOM 708 N VAL A 50 19.485 -3.028 -13.179 1.00 0.00 N ATOM 709 CA VAL A 50 20.772 -2.622 -12.564 1.00 0.00 C ATOM 710 C VAL A 50 21.031 -3.397 -11.249 1.00 0.00 C ATOM 711 O VAL A 50 22.137 -3.895 -11.029 1.00 0.00 O ATOM 712 CB VAL A 50 20.810 -1.066 -12.316 1.00 0.00 C ATOM 713 CG1 VAL A 50 22.140 -0.606 -11.663 1.00 0.00 C ATOM 714 CG2 VAL A 50 20.551 -0.300 -13.637 1.00 0.00 C ATOM 0 H VAL A 50 18.859 -2.245 -13.368 1.00 0.00 H new ATOM 0 HA VAL A 50 21.570 -2.873 -13.263 1.00 0.00 H new ATOM 0 HB VAL A 50 20.013 -0.831 -11.611 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.117 0.473 -11.513 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.264 -1.104 -10.701 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.974 -0.864 -12.316 1.00 0.00 H new ATOM 0 HG21 VAL A 50 20.581 0.773 -13.447 1.00 0.00 H new ATOM 0 HG22 VAL A 50 21.319 -0.561 -14.366 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.571 -0.572 -14.029 1.00 0.00 H new ATOM 724 N ARG A 51 19.964 -3.546 -10.429 1.00 0.00 N ATOM 725 CA ARG A 51 19.998 -4.330 -9.165 1.00 0.00 C ATOM 726 C ARG A 51 20.404 -5.801 -9.421 1.00 0.00 C ATOM 727 O ARG A 51 21.179 -6.373 -8.669 1.00 0.00 O ATOM 728 CB ARG A 51 18.624 -4.279 -8.418 1.00 0.00 C ATOM 729 CG ARG A 51 18.326 -2.989 -7.611 1.00 0.00 C ATOM 730 CD ARG A 51 18.253 -1.704 -8.458 1.00 0.00 C ATOM 731 NE ARG A 51 17.811 -0.543 -7.657 1.00 0.00 N ATOM 732 CZ ARG A 51 18.586 0.245 -6.903 1.00 0.00 C ATOM 733 NH1 ARG A 51 19.897 0.052 -6.822 1.00 0.00 N ATOM 734 NH2 ARG A 51 18.044 1.244 -6.233 1.00 0.00 N ATOM 0 H ARG A 51 19.054 -3.127 -10.622 1.00 0.00 H new ATOM 0 HA ARG A 51 20.753 -3.868 -8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 51 17.830 -4.413 -9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 51 18.574 -5.128 -7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 51 17.380 -3.116 -7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 51 19.098 -2.865 -6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 51 19.232 -1.497 -8.889 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.565 -1.855 -9.289 1.00 0.00 H new ATOM 0 HE ARG A 51 16.816 -0.320 -7.682 1.00 0.00 H new ATOM 0 HH11 ARG A 51 20.333 -0.710 -7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 51 20.468 0.666 -6.241 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.040 1.412 -6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.629 1.848 -5.656 1.00 0.00 H new ATOM 748 N CYS A 52 19.885 -6.391 -10.506 1.00 0.00 N ATOM 749 CA CYS A 52 20.181 -7.796 -10.859 1.00 0.00 C ATOM 750 C CYS A 52 21.615 -7.957 -11.378 1.00 0.00 C ATOM 751 O CYS A 52 22.272 -8.966 -11.104 1.00 0.00 O ATOM 752 CB CYS A 52 19.170 -8.336 -11.895 1.00 0.00 C ATOM 753 SG CYS A 52 17.559 -8.797 -11.213 1.00 0.00 S ATOM 0 H CYS A 52 19.257 -5.921 -11.158 1.00 0.00 H new ATOM 0 HA CYS A 52 20.086 -8.384 -9.946 1.00 0.00 H new ATOM 0 HB2 CYS A 52 19.020 -7.579 -12.664 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.604 -9.207 -12.386 1.00 0.00 H new ATOM 758 N THR A 53 22.100 -6.948 -12.101 1.00 0.00 N ATOM 759 CA THR A 53 23.435 -6.997 -12.702 1.00 0.00 C ATOM 760 C THR A 53 24.526 -6.906 -11.613 1.00 0.00 C ATOM 761 O THR A 53 25.441 -7.728 -11.590 1.00 0.00 O ATOM 762 CB THR A 53 23.616 -5.865 -13.758 1.00 0.00 C ATOM 763 OG1 THR A 53 22.501 -5.875 -14.666 1.00 0.00 O ATOM 764 CG2 THR A 53 24.923 -6.023 -14.562 1.00 0.00 C ATOM 0 H THR A 53 21.589 -6.085 -12.286 1.00 0.00 H new ATOM 0 HA THR A 53 23.539 -7.954 -13.214 1.00 0.00 H new ATOM 0 HB THR A 53 23.666 -4.918 -13.220 1.00 0.00 H new ATOM 0 HG1 THR A 53 21.692 -5.585 -14.194 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.006 -5.212 -15.285 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.774 -5.991 -13.882 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.914 -6.978 -15.087 1.00 0.00 H new ATOM 772 N VAL A 54 24.387 -5.939 -10.681 1.00 0.00 N ATOM 773 CA VAL A 54 25.417 -5.665 -9.659 1.00 0.00 C ATOM 774 C VAL A 54 25.273 -6.591 -8.420 1.00 0.00 C ATOM 775 O VAL A 54 26.267 -7.159 -7.951 1.00 0.00 O ATOM 776 CB VAL A 54 25.406 -4.142 -9.222 1.00 0.00 C ATOM 777 CG1 VAL A 54 24.092 -3.748 -8.510 1.00 0.00 C ATOM 778 CG2 VAL A 54 26.641 -3.784 -8.357 1.00 0.00 C ATOM 0 H VAL A 54 23.568 -5.334 -10.616 1.00 0.00 H new ATOM 0 HA VAL A 54 26.381 -5.882 -10.120 1.00 0.00 H new ATOM 0 HB VAL A 54 25.463 -3.555 -10.139 1.00 0.00 H new ATOM 0 HG11 VAL A 54 24.132 -2.695 -8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 54 23.250 -3.913 -9.183 1.00 0.00 H new ATOM 0 HG13 VAL A 54 23.966 -4.357 -7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 54 26.597 -2.731 -8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 54 26.645 -4.399 -7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.551 -3.970 -8.927 1.00 0.00 H new ATOM 788 N LYS A 55 24.031 -6.779 -7.922 1.00 0.00 N ATOM 789 CA LYS A 55 23.794 -7.413 -6.599 1.00 0.00 C ATOM 790 C LYS A 55 23.799 -8.939 -6.735 1.00 0.00 C ATOM 791 O LYS A 55 24.290 -9.650 -5.852 1.00 0.00 O ATOM 792 CB LYS A 55 22.463 -6.883 -5.977 1.00 0.00 C ATOM 793 CG LYS A 55 22.182 -7.272 -4.497 1.00 0.00 C ATOM 794 CD LYS A 55 21.503 -8.650 -4.305 1.00 0.00 C ATOM 795 CE LYS A 55 20.125 -8.743 -4.982 1.00 0.00 C ATOM 796 NZ LYS A 55 19.532 -10.082 -4.789 1.00 0.00 N ATOM 0 H LYS A 55 23.179 -6.504 -8.411 1.00 0.00 H new ATOM 0 HA LYS A 55 24.602 -7.143 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 55 22.463 -5.795 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 55 21.635 -7.243 -6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 55 23.125 -7.268 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 55 21.550 -6.506 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 55 22.152 -9.428 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 55 21.392 -8.848 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 55 19.461 -7.984 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 55 20.224 -8.535 -6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 18.516 -10.046 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.998 -10.763 -5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.664 -10.381 -3.802 1.00 0.00 H new ATOM 810 N ASP A 56 23.274 -9.438 -7.866 1.00 0.00 N ATOM 811 CA ASP A 56 23.252 -10.884 -8.176 1.00 0.00 C ATOM 812 C ASP A 56 24.523 -11.287 -8.955 1.00 0.00 C ATOM 813 O ASP A 56 24.506 -12.192 -9.795 1.00 0.00 O ATOM 814 CB ASP A 56 21.950 -11.244 -8.946 1.00 0.00 C ATOM 815 CG ASP A 56 20.680 -10.951 -8.127 1.00 0.00 C ATOM 816 OD1 ASP A 56 20.542 -11.525 -7.032 1.00 0.00 O ATOM 817 OD2 ASP A 56 19.816 -10.151 -8.559 1.00 0.00 O ATOM 0 H ASP A 56 22.854 -8.856 -8.591 1.00 0.00 H new ATOM 0 HA ASP A 56 23.251 -11.454 -7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.915 -10.680 -9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 56 21.970 -12.301 -9.213 1.00 0.00 H new ATOM 822 N ALA A 57 25.646 -10.629 -8.607 1.00 0.00 N ATOM 823 CA ALA A 57 26.976 -10.895 -9.161 1.00 0.00 C ATOM 824 C ALA A 57 28.006 -10.708 -8.027 1.00 0.00 C ATOM 825 O ALA A 57 28.334 -9.560 -7.686 1.00 0.00 O ATOM 826 CB ALA A 57 27.275 -9.975 -10.360 1.00 0.00 C ATOM 0 H ALA A 57 25.647 -9.880 -7.915 1.00 0.00 H new ATOM 0 HA ALA A 57 27.029 -11.915 -9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 57 28.269 -10.196 -10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 57 26.534 -10.143 -11.141 1.00 0.00 H new ATOM 0 HB3 ALA A 57 27.234 -8.934 -10.039 1.00 0.00 H new ATOM 832 N PRO A 58 28.459 -11.834 -7.368 1.00 0.00 N ATOM 833 CA PRO A 58 29.445 -11.803 -6.252 1.00 0.00 C ATOM 834 C PRO A 58 30.719 -10.987 -6.571 1.00 0.00 C ATOM 835 O PRO A 58 31.603 -11.453 -7.294 1.00 0.00 O ATOM 836 CB PRO A 58 29.778 -13.306 -6.024 1.00 0.00 C ATOM 837 CG PRO A 58 28.560 -14.041 -6.490 1.00 0.00 C ATOM 838 CD PRO A 58 27.998 -13.228 -7.638 1.00 0.00 C ATOM 0 HA PRO A 58 29.037 -11.304 -5.373 1.00 0.00 H new ATOM 0 HB2 PRO A 58 30.661 -13.606 -6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 58 29.986 -13.510 -4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 58 28.813 -15.051 -6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 58 27.831 -14.137 -5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 58 28.366 -13.589 -8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 58 26.910 -13.287 -7.671 1.00 0.00 H new ATOM 846 N SER A 59 30.770 -9.748 -6.047 1.00 0.00 N ATOM 847 CA SER A 59 31.901 -8.822 -6.245 1.00 0.00 C ATOM 848 C SER A 59 32.168 -8.031 -4.955 1.00 0.00 C ATOM 849 O SER A 59 31.228 -7.639 -4.251 1.00 0.00 O ATOM 850 CB SER A 59 31.594 -7.859 -7.412 1.00 0.00 C ATOM 851 OG SER A 59 31.340 -8.569 -8.613 1.00 0.00 O ATOM 0 H SER A 59 30.023 -9.359 -5.471 1.00 0.00 H new ATOM 0 HA SER A 59 32.793 -9.398 -6.491 1.00 0.00 H new ATOM 0 HB2 SER A 59 30.730 -7.244 -7.161 1.00 0.00 H new ATOM 0 HB3 SER A 59 32.435 -7.182 -7.558 1.00 0.00 H new ATOM 0 HG SER A 59 30.457 -8.991 -8.563 1.00 0.00 H new ATOM 857 N ARG A 60 33.455 -7.803 -4.651 1.00 0.00 N ATOM 858 CA ARG A 60 33.879 -7.065 -3.447 1.00 0.00 C ATOM 859 C ARG A 60 33.739 -5.563 -3.713 1.00 0.00 C ATOM 860 O ARG A 60 34.558 -4.987 -4.440 1.00 0.00 O ATOM 861 CB ARG A 60 35.343 -7.419 -3.038 1.00 0.00 C ATOM 862 CG ARG A 60 35.565 -8.870 -2.535 1.00 0.00 C ATOM 863 CD ARG A 60 35.444 -9.934 -3.637 1.00 0.00 C ATOM 864 NE ARG A 60 35.644 -11.296 -3.127 1.00 0.00 N ATOM 865 CZ ARG A 60 35.928 -12.374 -3.869 1.00 0.00 C ATOM 866 NH1 ARG A 60 36.123 -12.269 -5.189 1.00 0.00 N ATOM 867 NH2 ARG A 60 36.036 -13.549 -3.281 1.00 0.00 N ATOM 0 H ARG A 60 34.231 -8.123 -5.230 1.00 0.00 H new ATOM 0 HA ARG A 60 33.239 -7.355 -2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 60 35.993 -7.247 -3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 60 35.660 -6.730 -2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 60 36.554 -8.940 -2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 60 34.839 -9.088 -1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 60 34.459 -9.863 -4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 60 36.178 -9.730 -4.417 1.00 0.00 H new ATOM 0 HE ARG A 60 35.559 -11.433 -2.120 1.00 0.00 H new ATOM 0 HH11 ARG A 60 36.056 -11.358 -5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 60 36.339 -13.100 -5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 60 35.904 -13.629 -2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 60 36.252 -14.378 -3.834 1.00 0.00 H new ATOM 881 N LYS A 61 32.678 -4.972 -3.132 1.00 0.00 N ATOM 882 CA LYS A 61 32.282 -3.571 -3.332 1.00 0.00 C ATOM 883 C LYS A 61 31.827 -3.345 -4.799 1.00 0.00 C ATOM 884 O LYS A 61 30.644 -3.615 -5.088 1.00 0.00 O ATOM 885 CB LYS A 61 33.401 -2.579 -2.883 1.00 0.00 C ATOM 886 CG LYS A 61 33.790 -2.708 -1.394 1.00 0.00 C ATOM 887 CD LYS A 61 34.902 -1.730 -0.971 1.00 0.00 C ATOM 888 CE LYS A 61 35.331 -1.928 0.495 1.00 0.00 C ATOM 889 NZ LYS A 61 34.209 -1.711 1.457 1.00 0.00 N ATOM 890 OXT LYS A 61 32.646 -2.936 -5.650 1.00 0.00 O ATOM 0 H LYS A 61 32.058 -5.472 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 61 31.428 -3.358 -2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 61 34.287 -2.745 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 61 33.067 -1.559 -3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 61 32.908 -2.533 -0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 61 34.119 -3.729 -1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 61 35.767 -1.864 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 61 34.554 -0.706 -1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 61 35.723 -2.937 0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 61 36.143 -1.239 0.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 34.570 -1.773 2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 33.795 -0.770 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.481 -2.439 1.311 1.00 0.00 H new TER 904 LYS A 61 HETATM 905 ZN ZN A 101 5.693 0.754 -10.322 1.00 0.00 ZN HETATM 906 ZN ZN A 102 16.083 -7.088 -10.754 1.00 0.00 ZN