USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 606 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 34 CYS SG : rot 107:sc= -4.79! USER MOD Set 1.2: A 54 CYS SG : rot 180:sc= -1.68! USER MOD Set 1.3: A 58 HIS :FLIP no HD1:sc= -0.238 F(o=-7.4,f=-6.7) USER MOD Set 2.1: A 42 GLN : amide:sc= 1.37 K(o=2.3,f=-4.2!) USER MOD Set 2.2: A 56 ASN : amide:sc= 0.9 K(o=2.3,f=-8.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0431) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 CYS SG : rot 147:sc= -3.22! USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.196 K(o=-0.2,f=-1.6) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 22:sc= 0.27 USER MOD Single : A 20 HIS : no HD1:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 23 THR OG1 : rot -93:sc= 0.701 USER MOD Single : A 24 CYS SG : rot -17:sc= 0.24 USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.025) USER MOD Single : A 29 SER OG : rot 71:sc= 1.24 USER MOD Single : A 31 GLN : amide:sc=-0.00819 K(o=-0.0082,f=-0.84) USER MOD Single : A 39 GLN : amide:sc=4.75e-05 X(o=4.8e-05,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.133) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 1:sc= 1.24 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 1.06 (180deg=0.89) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.0557 (180deg=-0.338) USER MOD Single : A 67 ASN : amide:sc= -0.0062 K(o=-0.0062,f=-1) USER MOD Single : A 71 SER OG : rot -130:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0731 K(o=-0.073,f=-0.87) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=-0.0033) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HE2:sc= 1.15 K(o=1.2,f=-5.2!) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0002) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.831 -0.324 5.762 1.00 0.00 N ATOM 2 CA MET A 1 11.465 0.442 4.660 1.00 0.00 C ATOM 3 C MET A 1 10.870 1.841 4.581 1.00 0.00 C ATOM 4 O MET A 1 9.650 2.008 4.609 1.00 0.00 O ATOM 5 CB MET A 1 11.290 -0.280 3.319 1.00 0.00 C ATOM 6 CG MET A 1 12.003 -1.621 3.250 1.00 0.00 C ATOM 7 SD MET A 1 11.884 -2.397 1.625 1.00 0.00 S ATOM 8 CE MET A 1 12.741 -3.940 1.932 1.00 0.00 C ATOM 0 H1 MET A 1 11.314 -1.238 5.872 1.00 0.00 H new ATOM 0 H2 MET A 1 10.906 0.216 6.648 1.00 0.00 H new ATOM 0 H3 MET A 1 9.828 -0.487 5.540 1.00 0.00 H new ATOM 0 HA MET A 1 12.532 0.520 4.871 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.227 -0.434 3.135 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.662 0.361 2.520 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.054 -1.482 3.504 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.580 -2.291 3.999 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.754 -4.537 1.020 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.764 -3.732 2.244 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.227 -4.491 2.719 1.00 0.00 H new ATOM 20 N GLU A 2 11.732 2.841 4.488 1.00 0.00 N ATOM 21 CA GLU A 2 11.291 4.228 4.445 1.00 0.00 C ATOM 22 C GLU A 2 10.851 4.606 3.032 1.00 0.00 C ATOM 23 O GLU A 2 11.507 4.250 2.049 1.00 0.00 O ATOM 24 CB GLU A 2 12.414 5.143 4.942 1.00 0.00 C ATOM 25 CG GLU A 2 12.024 6.608 5.040 1.00 0.00 C ATOM 26 CD GLU A 2 12.978 7.398 5.911 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.113 7.677 5.468 1.00 0.00 O ATOM 28 OE2 GLU A 2 12.603 7.732 7.050 1.00 0.00 O ATOM 0 H GLU A 2 12.744 2.719 4.441 1.00 0.00 H new ATOM 0 HA GLU A 2 10.430 4.352 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.741 4.799 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.268 5.050 4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.002 7.044 4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.015 6.687 5.445 1.00 0.00 H new ATOM 35 N ILE A 3 9.731 5.317 2.943 1.00 0.00 N ATOM 36 CA ILE A 3 9.122 5.650 1.660 1.00 0.00 C ATOM 37 C ILE A 3 9.990 6.631 0.876 1.00 0.00 C ATOM 38 O ILE A 3 10.112 7.800 1.244 1.00 0.00 O ATOM 39 CB ILE A 3 7.717 6.258 1.847 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.903 5.418 2.839 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.996 6.341 0.507 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.543 6.002 3.161 1.00 0.00 C ATOM 0 H ILE A 3 9.223 5.676 3.752 1.00 0.00 H new ATOM 0 HA ILE A 3 9.036 4.719 1.099 1.00 0.00 H new ATOM 0 HB ILE A 3 7.822 7.266 2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.771 4.416 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.471 5.312 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.005 6.772 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.568 6.969 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.898 5.341 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.027 5.353 3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.667 6.992 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.956 6.082 2.246 1.00 0.00 H new ATOM 54 N THR A 4 10.588 6.141 -0.198 1.00 0.00 N ATOM 55 CA THR A 4 11.451 6.949 -1.041 1.00 0.00 C ATOM 56 C THR A 4 11.079 6.786 -2.513 1.00 0.00 C ATOM 57 O THR A 4 10.677 5.702 -2.942 1.00 0.00 O ATOM 58 CB THR A 4 12.930 6.564 -0.833 1.00 0.00 C ATOM 59 OG1 THR A 4 13.047 5.140 -0.694 1.00 0.00 O ATOM 60 CG2 THR A 4 13.505 7.248 0.397 1.00 0.00 C ATOM 0 H THR A 4 10.489 5.174 -0.508 1.00 0.00 H new ATOM 0 HA THR A 4 11.313 7.992 -0.757 1.00 0.00 H new ATOM 0 HB THR A 4 13.494 6.895 -1.705 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.988 4.900 -0.564 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.549 6.959 0.520 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.440 8.329 0.276 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.939 6.947 1.279 1.00 0.00 H new ATOM 68 N CYS A 5 11.189 7.867 -3.276 1.00 0.00 N ATOM 69 CA CYS A 5 10.877 7.836 -4.701 1.00 0.00 C ATOM 70 C CYS A 5 12.046 7.236 -5.482 1.00 0.00 C ATOM 71 O CYS A 5 13.204 7.580 -5.235 1.00 0.00 O ATOM 72 CB CYS A 5 10.560 9.249 -5.205 1.00 0.00 C ATOM 73 SG CYS A 5 9.928 9.333 -6.900 1.00 0.00 S ATOM 0 H CYS A 5 11.492 8.778 -2.932 1.00 0.00 H new ATOM 0 HA CYS A 5 9.999 7.210 -4.857 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.827 9.701 -4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.465 9.853 -5.140 1.00 0.00 H new ATOM 0 HG CYS A 5 9.082 10.315 -7.000 1.00 0.00 H new ATOM 78 N PRO A 6 11.755 6.331 -6.433 1.00 0.00 N ATOM 79 CA PRO A 6 12.783 5.599 -7.190 1.00 0.00 C ATOM 80 C PRO A 6 13.555 6.468 -8.185 1.00 0.00 C ATOM 81 O PRO A 6 14.512 6.006 -8.810 1.00 0.00 O ATOM 82 CB PRO A 6 11.980 4.529 -7.933 1.00 0.00 C ATOM 83 CG PRO A 6 10.615 5.107 -8.072 1.00 0.00 C ATOM 84 CD PRO A 6 10.391 5.934 -6.837 1.00 0.00 C ATOM 0 HA PRO A 6 13.552 5.207 -6.525 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.418 4.310 -8.907 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.958 3.592 -7.376 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.539 5.719 -8.971 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.865 4.321 -8.157 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.765 6.802 -7.044 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.892 5.361 -6.056 1.00 0.00 H new ATOM 92 N VAL A 7 13.149 7.724 -8.332 1.00 0.00 N ATOM 93 CA VAL A 7 13.824 8.629 -9.250 1.00 0.00 C ATOM 94 C VAL A 7 14.466 9.782 -8.481 1.00 0.00 C ATOM 95 O VAL A 7 15.640 10.092 -8.673 1.00 0.00 O ATOM 96 CB VAL A 7 12.873 9.160 -10.358 1.00 0.00 C ATOM 97 CG1 VAL A 7 11.647 9.848 -9.776 1.00 0.00 C ATOM 98 CG2 VAL A 7 13.618 10.098 -11.298 1.00 0.00 C ATOM 0 H VAL A 7 12.362 8.135 -7.831 1.00 0.00 H new ATOM 0 HA VAL A 7 14.607 8.062 -9.753 1.00 0.00 H new ATOM 0 HB VAL A 7 12.522 8.298 -10.926 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.010 10.203 -10.586 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.091 9.141 -9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.961 10.693 -9.163 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.936 10.460 -12.067 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.009 10.944 -10.733 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.443 9.563 -11.768 1.00 0.00 H new ATOM 108 N CYS A 8 13.701 10.404 -7.594 1.00 0.00 N ATOM 109 CA CYS A 8 14.247 11.425 -6.723 1.00 0.00 C ATOM 110 C CYS A 8 14.397 10.869 -5.313 1.00 0.00 C ATOM 111 O CYS A 8 13.440 10.843 -4.540 1.00 0.00 O ATOM 112 CB CYS A 8 13.370 12.685 -6.734 1.00 0.00 C ATOM 113 SG CYS A 8 11.641 12.420 -6.256 1.00 0.00 S ATOM 0 H CYS A 8 12.707 10.218 -7.462 1.00 0.00 H new ATOM 0 HA CYS A 8 15.232 11.714 -7.091 1.00 0.00 H new ATOM 0 HB2 CYS A 8 13.809 13.421 -6.060 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.392 13.116 -7.735 1.00 0.00 H new ATOM 118 N HIS A 9 15.596 10.382 -5.007 1.00 0.00 N ATOM 119 CA HIS A 9 15.897 9.798 -3.697 1.00 0.00 C ATOM 120 C HIS A 9 15.695 10.815 -2.570 1.00 0.00 C ATOM 121 O HIS A 9 16.612 11.547 -2.198 1.00 0.00 O ATOM 122 CB HIS A 9 17.330 9.247 -3.674 1.00 0.00 C ATOM 123 CG HIS A 9 17.688 8.516 -2.409 1.00 0.00 C ATOM 124 ND1 HIS A 9 17.237 7.248 -2.121 1.00 0.00 N ATOM 125 CD2 HIS A 9 18.465 8.881 -1.361 1.00 0.00 C ATOM 126 CE1 HIS A 9 17.717 6.864 -0.954 1.00 0.00 C ATOM 127 NE2 HIS A 9 18.468 7.836 -0.469 1.00 0.00 N ATOM 0 H HIS A 9 16.385 10.379 -5.654 1.00 0.00 H new ATOM 0 HA HIS A 9 15.201 8.976 -3.530 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.462 8.573 -4.520 1.00 0.00 H new ATOM 0 HB3 HIS A 9 18.027 10.073 -3.813 1.00 0.00 H new ATOM 0 HD2 HIS A 9 18.986 9.820 -1.248 1.00 0.00 H new ATOM 0 HE1 HIS A 9 17.528 5.914 -0.476 1.00 0.00 H new ATOM 0 HE2 HIS A 9 18.967 7.815 0.420 1.00 0.00 H new ATOM 136 N HIS A 10 14.468 10.873 -2.076 1.00 0.00 N ATOM 137 CA HIS A 10 14.100 11.716 -0.945 1.00 0.00 C ATOM 138 C HIS A 10 12.999 11.013 -0.168 1.00 0.00 C ATOM 139 O HIS A 10 12.286 10.178 -0.732 1.00 0.00 O ATOM 140 CB HIS A 10 13.573 13.088 -1.399 1.00 0.00 C ATOM 141 CG HIS A 10 14.519 13.895 -2.234 1.00 0.00 C ATOM 142 ND1 HIS A 10 14.595 13.778 -3.603 1.00 0.00 N ATOM 143 CD2 HIS A 10 15.409 14.855 -1.894 1.00 0.00 C ATOM 144 CE1 HIS A 10 15.492 14.625 -4.067 1.00 0.00 C ATOM 145 NE2 HIS A 10 16.002 15.295 -3.052 1.00 0.00 N ATOM 0 H HIS A 10 13.690 10.331 -2.452 1.00 0.00 H new ATOM 0 HA HIS A 10 14.988 11.878 -0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.654 12.936 -1.965 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.310 13.668 -0.514 1.00 0.00 H new ATOM 0 HD2 HIS A 10 15.615 15.210 -0.895 1.00 0.00 H new ATOM 0 HE1 HIS A 10 15.764 14.750 -5.105 1.00 0.00 H new ATOM 0 HE2 HIS A 10 16.717 16.019 -3.116 1.00 0.00 H new ATOM 154 N ALA A 11 12.864 11.336 1.108 1.00 0.00 N ATOM 155 CA ALA A 11 11.764 10.813 1.906 1.00 0.00 C ATOM 156 C ALA A 11 10.452 11.433 1.442 1.00 0.00 C ATOM 157 O ALA A 11 10.361 12.651 1.275 1.00 0.00 O ATOM 158 CB ALA A 11 11.993 11.090 3.384 1.00 0.00 C ATOM 0 H ALA A 11 13.499 11.955 1.613 1.00 0.00 H new ATOM 0 HA ALA A 11 11.713 9.733 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.160 10.691 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.919 10.612 3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.065 12.166 3.546 1.00 0.00 H new ATOM 164 N LEU A 12 9.449 10.600 1.221 1.00 0.00 N ATOM 165 CA LEU A 12 8.181 11.073 0.684 1.00 0.00 C ATOM 166 C LEU A 12 7.233 11.504 1.794 1.00 0.00 C ATOM 167 O LEU A 12 7.337 11.048 2.935 1.00 0.00 O ATOM 168 CB LEU A 12 7.524 9.998 -0.185 1.00 0.00 C ATOM 169 CG LEU A 12 8.376 9.506 -1.357 1.00 0.00 C ATOM 170 CD1 LEU A 12 7.545 8.654 -2.304 1.00 0.00 C ATOM 171 CD2 LEU A 12 8.994 10.681 -2.093 1.00 0.00 C ATOM 0 H LEU A 12 9.486 9.597 1.404 1.00 0.00 H new ATOM 0 HA LEU A 12 8.393 11.944 0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.273 9.145 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.586 10.392 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 12 9.181 8.887 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.169 8.314 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.152 7.791 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.717 9.246 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.597 10.314 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.204 11.327 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.626 11.247 -1.409 1.00 0.00 H new ATOM 183 N GLU A 13 6.304 12.377 1.443 1.00 0.00 N ATOM 184 CA GLU A 13 5.355 12.929 2.392 1.00 0.00 C ATOM 185 C GLU A 13 4.103 12.065 2.451 1.00 0.00 C ATOM 186 O GLU A 13 3.205 12.202 1.619 1.00 0.00 O ATOM 187 CB GLU A 13 4.982 14.354 1.978 1.00 0.00 C ATOM 188 CG GLU A 13 6.180 15.276 1.816 1.00 0.00 C ATOM 189 CD GLU A 13 5.825 16.577 1.129 1.00 0.00 C ATOM 190 OE1 GLU A 13 5.001 17.337 1.675 1.00 0.00 O ATOM 191 OE2 GLU A 13 6.375 16.851 0.041 1.00 0.00 O ATOM 0 H GLU A 13 6.187 12.723 0.491 1.00 0.00 H new ATOM 0 HA GLU A 13 5.815 12.948 3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.433 14.318 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.309 14.775 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.603 15.491 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.952 14.765 1.241 1.00 0.00 H new ATOM 198 N ARG A 14 4.044 11.161 3.415 1.00 0.00 N ATOM 199 CA ARG A 14 2.889 10.288 3.537 1.00 0.00 C ATOM 200 C ARG A 14 1.686 11.071 4.052 1.00 0.00 C ATOM 201 O ARG A 14 1.802 11.876 4.979 1.00 0.00 O ATOM 202 CB ARG A 14 3.173 9.105 4.465 1.00 0.00 C ATOM 203 CG ARG A 14 2.000 8.144 4.553 1.00 0.00 C ATOM 204 CD ARG A 14 2.207 7.070 5.604 1.00 0.00 C ATOM 205 NE ARG A 14 0.988 6.289 5.800 1.00 0.00 N ATOM 206 CZ ARG A 14 0.195 6.412 6.863 1.00 0.00 C ATOM 207 NH1 ARG A 14 0.519 7.252 7.839 1.00 0.00 N ATOM 208 NH2 ARG A 14 -0.927 5.703 6.943 1.00 0.00 N ATOM 0 H ARG A 14 4.771 11.013 4.115 1.00 0.00 H new ATOM 0 HA ARG A 14 2.668 9.895 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.052 8.569 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.410 9.477 5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.093 8.703 4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.847 7.673 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.021 6.411 5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.504 7.530 6.546 1.00 0.00 H new ATOM 0 HE ARG A 14 0.730 5.612 5.083 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.375 7.803 7.775 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.088 7.346 8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.181 5.064 6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.533 5.798 7.758 1.00 0.00 H new ATOM 222 N ASN A 15 0.542 10.840 3.436 1.00 0.00 N ATOM 223 CA ASN A 15 -0.698 11.482 3.836 1.00 0.00 C ATOM 224 C ASN A 15 -1.837 10.473 3.787 1.00 0.00 C ATOM 225 O ASN A 15 -2.465 10.278 2.741 1.00 0.00 O ATOM 226 CB ASN A 15 -1.006 12.675 2.925 1.00 0.00 C ATOM 227 CG ASN A 15 -2.210 13.470 3.393 1.00 0.00 C ATOM 228 OD1 ASN A 15 -3.346 13.206 2.988 1.00 0.00 O ATOM 229 ND2 ASN A 15 -1.968 14.453 4.244 1.00 0.00 N ATOM 0 H ASN A 15 0.445 10.203 2.645 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.590 11.851 4.856 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.136 13.330 2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.183 12.317 1.911 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.736 15.027 4.591 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.013 14.637 4.553 1.00 0.00 H new ATOM 236 N GLY A 16 -2.061 9.804 4.912 1.00 0.00 N ATOM 237 CA GLY A 16 -3.122 8.818 5.009 1.00 0.00 C ATOM 238 C GLY A 16 -2.937 7.649 4.057 1.00 0.00 C ATOM 239 O GLY A 16 -1.981 6.881 4.181 1.00 0.00 O ATOM 0 H GLY A 16 -1.520 9.929 5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.169 8.443 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.078 9.300 4.802 1.00 0.00 H new ATOM 243 N ASP A 17 -3.851 7.532 3.103 1.00 0.00 N ATOM 244 CA ASP A 17 -3.846 6.436 2.132 1.00 0.00 C ATOM 245 C ASP A 17 -2.790 6.670 1.056 1.00 0.00 C ATOM 246 O ASP A 17 -2.280 5.733 0.444 1.00 0.00 O ATOM 247 CB ASP A 17 -5.236 6.320 1.489 1.00 0.00 C ATOM 248 CG ASP A 17 -5.334 5.226 0.436 1.00 0.00 C ATOM 249 OD1 ASP A 17 -5.028 5.501 -0.748 1.00 0.00 O ATOM 250 OD2 ASP A 17 -5.755 4.101 0.781 1.00 0.00 O ATOM 0 H ASP A 17 -4.618 8.192 2.977 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.603 5.508 2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.973 6.128 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.496 7.275 1.033 1.00 0.00 H new ATOM 255 N THR A 18 -2.445 7.929 0.853 1.00 0.00 N ATOM 256 CA THR A 18 -1.566 8.310 -0.238 1.00 0.00 C ATOM 257 C THR A 18 -0.183 8.726 0.251 1.00 0.00 C ATOM 258 O THR A 18 -0.025 9.204 1.372 1.00 0.00 O ATOM 259 CB THR A 18 -2.183 9.465 -1.043 1.00 0.00 C ATOM 260 OG1 THR A 18 -2.591 10.515 -0.151 1.00 0.00 O ATOM 261 CG2 THR A 18 -3.379 8.988 -1.853 1.00 0.00 C ATOM 0 H THR A 18 -2.761 8.707 1.432 1.00 0.00 H new ATOM 0 HA THR A 18 -1.451 7.430 -0.871 1.00 0.00 H new ATOM 0 HB THR A 18 -1.429 9.842 -1.733 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.096 10.440 0.691 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.796 9.825 -2.413 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.061 8.210 -2.547 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.137 8.587 -1.180 1.00 0.00 H new ATOM 269 N ALA A 19 0.814 8.521 -0.592 1.00 0.00 N ATOM 270 CA ALA A 19 2.155 9.012 -0.335 1.00 0.00 C ATOM 271 C ALA A 19 2.502 10.100 -1.342 1.00 0.00 C ATOM 272 O ALA A 19 2.682 9.826 -2.526 1.00 0.00 O ATOM 273 CB ALA A 19 3.164 7.874 -0.413 1.00 0.00 C ATOM 0 H ALA A 19 0.717 8.012 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 19 2.193 9.431 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.164 8.261 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.916 7.116 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.135 7.429 -1.408 1.00 0.00 H new ATOM 279 N HIS A 20 2.569 11.330 -0.866 1.00 0.00 N ATOM 280 CA HIS A 20 2.829 12.481 -1.718 1.00 0.00 C ATOM 281 C HIS A 20 4.329 12.644 -1.958 1.00 0.00 C ATOM 282 O HIS A 20 5.103 12.816 -1.020 1.00 0.00 O ATOM 283 CB HIS A 20 2.243 13.745 -1.066 1.00 0.00 C ATOM 284 CG HIS A 20 2.588 15.033 -1.755 1.00 0.00 C ATOM 285 ND1 HIS A 20 1.786 15.627 -2.705 1.00 0.00 N ATOM 286 CD2 HIS A 20 3.654 15.857 -1.601 1.00 0.00 C ATOM 287 CE1 HIS A 20 2.341 16.757 -3.105 1.00 0.00 C ATOM 288 NE2 HIS A 20 3.473 16.919 -2.450 1.00 0.00 N ATOM 0 H HIS A 20 2.445 11.561 0.120 1.00 0.00 H new ATOM 0 HA HIS A 20 2.350 12.325 -2.685 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.158 13.648 -1.032 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.591 13.798 -0.034 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.490 15.705 -0.934 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.936 17.433 -3.843 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.112 17.707 -2.557 1.00 0.00 H new ATOM 297 N CYS A 21 4.730 12.582 -3.216 1.00 0.00 N ATOM 298 CA CYS A 21 6.125 12.783 -3.572 1.00 0.00 C ATOM 299 C CYS A 21 6.453 14.274 -3.576 1.00 0.00 C ATOM 300 O CYS A 21 5.675 15.086 -4.075 1.00 0.00 O ATOM 301 CB CYS A 21 6.422 12.170 -4.943 1.00 0.00 C ATOM 302 SG CYS A 21 8.181 12.074 -5.354 1.00 0.00 S ATOM 0 H CYS A 21 4.112 12.395 -4.006 1.00 0.00 H new ATOM 0 HA CYS A 21 6.750 12.286 -2.830 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.998 11.166 -4.978 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.914 12.758 -5.708 1.00 0.00 H new ATOM 307 N GLU A 22 7.596 14.616 -2.991 1.00 0.00 N ATOM 308 CA GLU A 22 8.060 16.000 -2.904 1.00 0.00 C ATOM 309 C GLU A 22 8.350 16.590 -4.289 1.00 0.00 C ATOM 310 O GLU A 22 7.474 17.193 -4.913 1.00 0.00 O ATOM 311 CB GLU A 22 9.299 16.074 -1.995 1.00 0.00 C ATOM 312 CG GLU A 22 10.075 14.757 -1.883 1.00 0.00 C ATOM 313 CD GLU A 22 10.734 14.333 -3.184 1.00 0.00 C ATOM 314 OE1 GLU A 22 11.834 14.826 -3.480 1.00 0.00 O ATOM 315 OE2 GLU A 22 10.140 13.532 -3.942 1.00 0.00 O ATOM 0 H GLU A 22 8.230 13.941 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 22 7.264 16.603 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.968 16.846 -2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.986 16.385 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.840 14.859 -1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.396 13.970 -1.555 1.00 0.00 H new ATOM 322 N THR A 23 9.580 16.433 -4.761 1.00 0.00 N ATOM 323 CA THR A 23 9.922 16.741 -6.133 1.00 0.00 C ATOM 324 C THR A 23 9.225 15.734 -7.041 1.00 0.00 C ATOM 325 O THR A 23 9.075 14.577 -6.645 1.00 0.00 O ATOM 326 CB THR A 23 11.443 16.676 -6.355 1.00 0.00 C ATOM 327 OG1 THR A 23 11.922 15.379 -5.983 1.00 0.00 O ATOM 328 CG2 THR A 23 12.165 17.734 -5.531 1.00 0.00 C ATOM 0 H THR A 23 10.361 16.090 -4.202 1.00 0.00 H new ATOM 0 HA THR A 23 9.595 17.755 -6.364 1.00 0.00 H new ATOM 0 HB THR A 23 11.644 16.865 -7.410 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.209 15.393 -5.046 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.238 17.664 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.813 18.724 -5.821 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.961 17.573 -4.472 1.00 0.00 H new ATOM 336 N CYS A 24 8.822 16.174 -8.229 1.00 0.00 N ATOM 337 CA CYS A 24 7.946 15.408 -9.125 1.00 0.00 C ATOM 338 C CYS A 24 6.668 14.992 -8.390 1.00 0.00 C ATOM 339 O CYS A 24 6.613 13.968 -7.708 1.00 0.00 O ATOM 340 CB CYS A 24 8.659 14.209 -9.805 1.00 0.00 C ATOM 341 SG CYS A 24 9.089 12.791 -8.754 1.00 0.00 S ATOM 0 H CYS A 24 9.095 17.082 -8.606 1.00 0.00 H new ATOM 0 HA CYS A 24 7.667 16.067 -9.947 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.020 13.850 -10.612 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.576 14.578 -10.265 1.00 0.00 H new ATOM 0 HG CYS A 24 9.039 13.146 -7.504 1.00 0.00 H new ATOM 346 N ALA A 25 5.643 15.830 -8.522 1.00 0.00 N ATOM 347 CA ALA A 25 4.400 15.668 -7.780 1.00 0.00 C ATOM 348 C ALA A 25 3.652 14.409 -8.197 1.00 0.00 C ATOM 349 O ALA A 25 3.000 14.372 -9.243 1.00 0.00 O ATOM 350 CB ALA A 25 3.516 16.894 -7.956 1.00 0.00 C ATOM 0 H ALA A 25 5.652 16.638 -9.145 1.00 0.00 H new ATOM 0 HA ALA A 25 4.657 15.562 -6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.591 16.759 -7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.039 17.776 -7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.284 17.027 -9.013 1.00 0.00 H new ATOM 356 N LYS A 26 3.781 13.378 -7.382 1.00 0.00 N ATOM 357 CA LYS A 26 3.064 12.129 -7.578 1.00 0.00 C ATOM 358 C LYS A 26 2.654 11.562 -6.226 1.00 0.00 C ATOM 359 O LYS A 26 3.508 11.300 -5.381 1.00 0.00 O ATOM 360 CB LYS A 26 3.939 11.099 -8.306 1.00 0.00 C ATOM 361 CG LYS A 26 4.301 11.467 -9.738 1.00 0.00 C ATOM 362 CD LYS A 26 5.150 10.383 -10.386 1.00 0.00 C ATOM 363 CE LYS A 26 5.450 10.688 -11.847 1.00 0.00 C ATOM 364 NZ LYS A 26 6.293 11.903 -12.012 1.00 0.00 N ATOM 0 H LYS A 26 4.388 13.382 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 26 2.183 12.333 -8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.859 10.959 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.419 10.141 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.391 11.616 -10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.844 12.412 -9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.086 10.280 -9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.632 9.426 -10.315 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.956 9.834 -12.297 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.513 10.823 -12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.526 12.030 -13.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.773 12.736 -11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.171 11.794 -11.465 1.00 0.00 H new ATOM 378 N ASP A 27 1.361 11.404 -5.999 1.00 0.00 N ATOM 379 CA ASP A 27 0.899 10.745 -4.787 1.00 0.00 C ATOM 380 C ASP A 27 0.445 9.331 -5.104 1.00 0.00 C ATOM 381 O ASP A 27 -0.367 9.102 -6.001 1.00 0.00 O ATOM 382 CB ASP A 27 -0.208 11.540 -4.079 1.00 0.00 C ATOM 383 CG ASP A 27 -1.398 11.850 -4.962 1.00 0.00 C ATOM 384 OD1 ASP A 27 -1.374 12.900 -5.641 1.00 0.00 O ATOM 385 OD2 ASP A 27 -2.376 11.073 -4.952 1.00 0.00 O ATOM 0 H ASP A 27 0.621 11.717 -6.627 1.00 0.00 H new ATOM 0 HA ASP A 27 1.738 10.698 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.549 10.976 -3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.210 12.475 -3.707 1.00 0.00 H new ATOM 390 N PHE A 28 1.008 8.380 -4.383 1.00 0.00 N ATOM 391 CA PHE A 28 0.751 6.973 -4.635 1.00 0.00 C ATOM 392 C PHE A 28 -0.146 6.391 -3.552 1.00 0.00 C ATOM 393 O PHE A 28 0.065 6.641 -2.370 1.00 0.00 O ATOM 394 CB PHE A 28 2.070 6.199 -4.669 1.00 0.00 C ATOM 395 CG PHE A 28 3.116 6.800 -5.568 1.00 0.00 C ATOM 396 CD1 PHE A 28 3.103 6.559 -6.933 1.00 0.00 C ATOM 397 CD2 PHE A 28 4.117 7.605 -5.044 1.00 0.00 C ATOM 398 CE1 PHE A 28 4.068 7.107 -7.756 1.00 0.00 C ATOM 399 CE2 PHE A 28 5.084 8.154 -5.862 1.00 0.00 C ATOM 400 CZ PHE A 28 5.060 7.906 -7.220 1.00 0.00 C ATOM 0 H PHE A 28 1.652 8.558 -3.612 1.00 0.00 H new ATOM 0 HA PHE A 28 0.249 6.883 -5.598 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.469 6.139 -3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.871 5.178 -4.994 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.330 5.936 -7.358 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.140 7.805 -3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.047 6.911 -8.818 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.859 8.777 -5.440 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.815 8.335 -7.862 1.00 0.00 H new ATOM 410 N SER A 29 -1.144 5.623 -3.957 1.00 0.00 N ATOM 411 CA SER A 29 -2.003 4.940 -3.004 1.00 0.00 C ATOM 412 C SER A 29 -1.245 3.761 -2.397 1.00 0.00 C ATOM 413 O SER A 29 -0.718 2.910 -3.123 1.00 0.00 O ATOM 414 CB SER A 29 -3.288 4.463 -3.693 1.00 0.00 C ATOM 415 OG SER A 29 -4.219 3.925 -2.765 1.00 0.00 O ATOM 0 H SER A 29 -1.379 5.457 -4.936 1.00 0.00 H new ATOM 0 HA SER A 29 -2.284 5.630 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.746 5.297 -4.224 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.041 3.707 -4.439 1.00 0.00 H new ATOM 0 HG SER A 29 -4.597 4.649 -2.223 1.00 0.00 H new ATOM 421 N LEU A 30 -1.174 3.726 -1.079 1.00 0.00 N ATOM 422 CA LEU A 30 -0.427 2.693 -0.381 1.00 0.00 C ATOM 423 C LEU A 30 -1.360 1.613 0.135 1.00 0.00 C ATOM 424 O LEU A 30 -2.267 1.884 0.925 1.00 0.00 O ATOM 425 CB LEU A 30 0.374 3.290 0.778 1.00 0.00 C ATOM 426 CG LEU A 30 1.411 4.346 0.395 1.00 0.00 C ATOM 427 CD1 LEU A 30 2.153 4.834 1.628 1.00 0.00 C ATOM 428 CD2 LEU A 30 2.390 3.789 -0.629 1.00 0.00 C ATOM 0 H LEU A 30 -1.627 4.404 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 30 0.269 2.245 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.325 3.734 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.884 2.479 1.298 1.00 0.00 H new ATOM 0 HG LEU A 30 0.890 5.192 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.887 5.585 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.444 5.273 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.661 3.995 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.120 4.556 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.905 2.925 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.847 3.487 -1.524 1.00 0.00 H new ATOM 440 N GLN A 31 -1.140 0.393 -0.315 1.00 0.00 N ATOM 441 CA GLN A 31 -1.939 -0.738 0.119 1.00 0.00 C ATOM 442 C GLN A 31 -1.095 -1.673 0.963 1.00 0.00 C ATOM 443 O GLN A 31 0.109 -1.809 0.739 1.00 0.00 O ATOM 444 CB GLN A 31 -2.508 -1.497 -1.081 1.00 0.00 C ATOM 445 CG GLN A 31 -3.388 -0.652 -1.985 1.00 0.00 C ATOM 446 CD GLN A 31 -4.034 -1.465 -3.089 1.00 0.00 C ATOM 447 OE1 GLN A 31 -4.320 -2.651 -2.921 1.00 0.00 O ATOM 448 NE2 GLN A 31 -4.254 -0.842 -4.235 1.00 0.00 N ATOM 0 H GLN A 31 -0.409 0.158 -0.986 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.770 -0.361 0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.682 -1.900 -1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.086 -2.347 -0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.165 -0.174 -1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.790 0.145 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.004 0.142 -4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.674 -1.345 -5.017 1.00 0.00 H new ATOM 457 N ALA A 32 -1.719 -2.306 1.941 1.00 0.00 N ATOM 458 CA ALA A 32 -1.026 -3.252 2.791 1.00 0.00 C ATOM 459 C ALA A 32 -1.075 -4.642 2.183 1.00 0.00 C ATOM 460 O ALA A 32 -2.152 -5.180 1.937 1.00 0.00 O ATOM 461 CB ALA A 32 -1.626 -3.264 4.189 1.00 0.00 C ATOM 0 H ALA A 32 -2.706 -2.180 2.165 1.00 0.00 H new ATOM 0 HA ALA A 32 0.016 -2.941 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.089 -3.982 4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.543 -2.270 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.677 -3.548 4.132 1.00 0.00 H new ATOM 467 N LEU A 33 0.089 -5.206 1.920 1.00 0.00 N ATOM 468 CA LEU A 33 0.178 -6.551 1.375 1.00 0.00 C ATOM 469 C LEU A 33 0.654 -7.528 2.441 1.00 0.00 C ATOM 470 O LEU A 33 1.519 -7.194 3.258 1.00 0.00 O ATOM 471 CB LEU A 33 1.133 -6.596 0.172 1.00 0.00 C ATOM 472 CG LEU A 33 0.552 -6.129 -1.171 1.00 0.00 C ATOM 473 CD1 LEU A 33 -0.671 -6.953 -1.534 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.211 -4.647 -1.142 1.00 0.00 C ATOM 0 H LEU A 33 0.990 -4.753 2.075 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.818 -6.841 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.003 -5.981 0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.488 -7.620 0.054 1.00 0.00 H new ATOM 0 HG LEU A 33 1.314 -6.278 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.071 -6.610 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.391 -8.003 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.430 -6.838 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.198 -4.349 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.527 -4.459 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.113 -4.070 -0.936 1.00 0.00 H new ATOM 486 N CYS A 34 0.076 -8.722 2.444 1.00 0.00 N ATOM 487 CA CYS A 34 0.547 -9.785 3.307 1.00 0.00 C ATOM 488 C CYS A 34 1.399 -10.752 2.487 1.00 0.00 C ATOM 489 O CYS A 34 1.074 -11.074 1.339 1.00 0.00 O ATOM 490 CB CYS A 34 -0.616 -10.510 4.010 1.00 0.00 C ATOM 491 SG CYS A 34 -1.800 -11.324 2.910 1.00 0.00 S ATOM 0 H CYS A 34 -0.719 -8.974 1.857 1.00 0.00 H new ATOM 0 HA CYS A 34 1.159 -9.352 4.099 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.201 -11.257 4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.154 -9.788 4.625 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.629 -12.612 2.965 1.00 0.00 H new ATOM 496 N PRO A 35 2.511 -11.207 3.072 1.00 0.00 N ATOM 497 CA PRO A 35 3.538 -11.997 2.376 1.00 0.00 C ATOM 498 C PRO A 35 3.015 -13.301 1.766 1.00 0.00 C ATOM 499 O PRO A 35 3.583 -13.805 0.797 1.00 0.00 O ATOM 500 CB PRO A 35 4.571 -12.297 3.472 1.00 0.00 C ATOM 501 CG PRO A 35 3.864 -12.048 4.761 1.00 0.00 C ATOM 502 CD PRO A 35 2.858 -10.973 4.477 1.00 0.00 C ATOM 0 HA PRO A 35 3.935 -11.446 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.923 -13.327 3.409 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.446 -11.655 3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.376 -12.954 5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.563 -11.734 5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.987 -11.054 5.127 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.277 -9.978 4.629 1.00 0.00 H new ATOM 510 N ASP A 36 1.935 -13.841 2.314 1.00 0.00 N ATOM 511 CA ASP A 36 1.413 -15.118 1.835 1.00 0.00 C ATOM 512 C ASP A 36 0.562 -14.932 0.579 1.00 0.00 C ATOM 513 O ASP A 36 0.573 -15.776 -0.314 1.00 0.00 O ATOM 514 CB ASP A 36 0.600 -15.817 2.935 1.00 0.00 C ATOM 515 CG ASP A 36 -0.878 -15.894 2.615 1.00 0.00 C ATOM 516 OD1 ASP A 36 -1.591 -14.914 2.838 1.00 0.00 O ATOM 517 OD2 ASP A 36 -1.356 -16.917 2.105 1.00 0.00 O ATOM 0 H ASP A 36 1.408 -13.423 3.081 1.00 0.00 H new ATOM 0 HA ASP A 36 2.263 -15.749 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.988 -16.825 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.736 -15.283 3.875 1.00 0.00 H new ATOM 522 N CYS A 37 -0.179 -13.831 0.503 1.00 0.00 N ATOM 523 CA CYS A 37 -1.080 -13.613 -0.618 1.00 0.00 C ATOM 524 C CYS A 37 -0.392 -12.856 -1.748 1.00 0.00 C ATOM 525 O CYS A 37 -0.447 -13.286 -2.901 1.00 0.00 O ATOM 526 CB CYS A 37 -2.341 -12.867 -0.167 1.00 0.00 C ATOM 527 SG CYS A 37 -3.423 -13.838 0.919 1.00 0.00 S ATOM 0 H CYS A 37 -0.173 -13.084 1.198 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.372 -14.592 -0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.045 -11.955 0.352 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.906 -12.563 -1.048 1.00 0.00 H new ATOM 532 N ARG A 38 0.257 -11.739 -1.408 1.00 0.00 N ATOM 533 CA ARG A 38 0.908 -10.872 -2.398 1.00 0.00 C ATOM 534 C ARG A 38 -0.112 -10.329 -3.398 1.00 0.00 C ATOM 535 O ARG A 38 0.236 -9.901 -4.501 1.00 0.00 O ATOM 536 CB ARG A 38 2.026 -11.621 -3.131 1.00 0.00 C ATOM 537 CG ARG A 38 3.145 -12.091 -2.216 1.00 0.00 C ATOM 538 CD ARG A 38 3.769 -10.933 -1.455 1.00 0.00 C ATOM 539 NE ARG A 38 4.309 -9.912 -2.348 1.00 0.00 N ATOM 540 CZ ARG A 38 5.410 -9.208 -2.096 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.141 -9.473 -1.020 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.796 -8.262 -2.943 1.00 0.00 N ATOM 0 H ARG A 38 0.347 -11.411 -0.446 1.00 0.00 H new ATOM 0 HA ARG A 38 1.351 -10.031 -1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.599 -12.484 -3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.445 -10.971 -3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.755 -12.823 -1.509 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.911 -12.594 -2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.020 -10.483 -0.803 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.565 -11.310 -0.813 1.00 0.00 H new ATOM 0 HE ARG A 38 3.812 -9.727 -3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.859 -10.218 -0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.984 -8.931 -0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.249 -8.076 -3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.639 -7.721 -2.753 1.00 0.00 H new ATOM 556 N GLN A 39 -1.369 -10.338 -2.986 1.00 0.00 N ATOM 557 CA GLN A 39 -2.469 -9.858 -3.799 1.00 0.00 C ATOM 558 C GLN A 39 -3.317 -8.917 -2.960 1.00 0.00 C ATOM 559 O GLN A 39 -3.261 -8.992 -1.737 1.00 0.00 O ATOM 560 CB GLN A 39 -3.304 -11.038 -4.304 1.00 0.00 C ATOM 561 CG GLN A 39 -2.607 -11.858 -5.378 1.00 0.00 C ATOM 562 CD GLN A 39 -3.328 -13.152 -5.674 1.00 0.00 C ATOM 563 OE1 GLN A 39 -4.231 -13.202 -6.509 1.00 0.00 O ATOM 564 NE2 GLN A 39 -2.924 -14.214 -4.997 1.00 0.00 N ATOM 0 H GLN A 39 -1.655 -10.682 -2.069 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.087 -9.323 -4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.547 -11.687 -3.463 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.248 -10.662 -4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.535 -11.268 -6.292 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.588 -12.078 -5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.172 -14.127 -4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.365 -15.120 -5.158 1.00 0.00 H new ATOM 573 N PRO A 40 -4.092 -8.019 -3.597 1.00 0.00 N ATOM 574 CA PRO A 40 -4.866 -6.981 -2.904 1.00 0.00 C ATOM 575 C PRO A 40 -5.597 -7.484 -1.659 1.00 0.00 C ATOM 576 O PRO A 40 -6.535 -8.280 -1.750 1.00 0.00 O ATOM 577 CB PRO A 40 -5.880 -6.508 -3.962 1.00 0.00 C ATOM 578 CG PRO A 40 -5.683 -7.398 -5.148 1.00 0.00 C ATOM 579 CD PRO A 40 -4.288 -7.935 -5.044 1.00 0.00 C ATOM 0 HA PRO A 40 -4.209 -6.195 -2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.900 -6.581 -3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.711 -5.464 -4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.412 -8.208 -5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.818 -6.844 -6.077 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.190 -8.908 -5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.561 -7.273 -5.515 1.00 0.00 H new ATOM 587 N LEU A 41 -5.128 -7.036 -0.499 1.00 0.00 N ATOM 588 CA LEU A 41 -5.810 -7.296 0.760 1.00 0.00 C ATOM 589 C LEU A 41 -7.067 -6.436 0.830 1.00 0.00 C ATOM 590 O LEU A 41 -7.098 -5.339 0.273 1.00 0.00 O ATOM 591 CB LEU A 41 -4.888 -6.997 1.956 1.00 0.00 C ATOM 592 CG LEU A 41 -3.999 -8.160 2.434 1.00 0.00 C ATOM 593 CD1 LEU A 41 -3.131 -8.697 1.309 1.00 0.00 C ATOM 594 CD2 LEU A 41 -3.117 -7.724 3.594 1.00 0.00 C ATOM 0 H LEU A 41 -4.273 -6.488 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.083 -8.350 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.243 -6.159 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.506 -6.671 2.793 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.664 -8.957 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.517 -9.516 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.766 -9.059 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.486 -7.902 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.498 -8.562 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.477 -6.901 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.743 -7.397 4.424 1.00 0.00 H new ATOM 606 N GLN A 42 -8.098 -6.937 1.501 1.00 0.00 N ATOM 607 CA GLN A 42 -9.384 -6.246 1.556 1.00 0.00 C ATOM 608 C GLN A 42 -9.242 -4.866 2.188 1.00 0.00 C ATOM 609 O GLN A 42 -8.869 -4.740 3.355 1.00 0.00 O ATOM 610 CB GLN A 42 -10.407 -7.076 2.338 1.00 0.00 C ATOM 611 CG GLN A 42 -10.681 -8.442 1.727 1.00 0.00 C ATOM 612 CD GLN A 42 -11.662 -9.263 2.541 1.00 0.00 C ATOM 613 OE1 GLN A 42 -11.754 -9.120 3.760 1.00 0.00 O ATOM 614 NE2 GLN A 42 -12.405 -10.131 1.875 1.00 0.00 N ATOM 0 H GLN A 42 -8.070 -7.818 2.014 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.737 -6.120 0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.049 -7.210 3.359 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.343 -6.520 2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -11.072 -8.312 0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.743 -8.990 1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.301 -10.222 0.864 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.082 -10.710 2.372 1.00 0.00 H new ATOM 623 N VAL A 43 -9.526 -3.839 1.398 1.00 0.00 N ATOM 624 CA VAL A 43 -9.488 -2.466 1.877 1.00 0.00 C ATOM 625 C VAL A 43 -10.655 -2.197 2.827 1.00 0.00 C ATOM 626 O VAL A 43 -11.819 -2.139 2.421 1.00 0.00 O ATOM 627 CB VAL A 43 -9.496 -1.454 0.705 1.00 0.00 C ATOM 628 CG1 VAL A 43 -10.603 -1.773 -0.286 1.00 0.00 C ATOM 629 CG2 VAL A 43 -9.632 -0.029 1.222 1.00 0.00 C ATOM 0 H VAL A 43 -9.787 -3.933 0.416 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.554 -2.332 2.423 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.543 -1.539 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.585 -1.046 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.452 -2.774 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.568 -1.728 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.635 0.664 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.565 0.069 1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.793 0.201 1.879 1.00 0.00 H new ATOM 639 N LEU A 44 -10.330 -2.042 4.095 1.00 0.00 N ATOM 640 CA LEU A 44 -11.331 -1.887 5.131 1.00 0.00 C ATOM 641 C LEU A 44 -11.134 -0.569 5.862 1.00 0.00 C ATOM 642 O LEU A 44 -10.151 -0.382 6.575 1.00 0.00 O ATOM 643 CB LEU A 44 -11.236 -3.059 6.113 1.00 0.00 C ATOM 644 CG LEU A 44 -11.386 -4.443 5.477 1.00 0.00 C ATOM 645 CD1 LEU A 44 -11.064 -5.535 6.480 1.00 0.00 C ATOM 646 CD2 LEU A 44 -12.792 -4.627 4.929 1.00 0.00 C ATOM 0 H LEU A 44 -9.369 -2.020 4.435 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.321 -1.882 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.273 -3.011 6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.006 -2.939 6.875 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.678 -4.516 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.177 -6.510 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.038 -5.418 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.745 -5.463 7.328 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.881 -5.616 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.514 -4.530 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.990 -3.867 4.173 1.00 0.00 H new ATOM 658 N LYS A 45 -12.056 0.357 5.666 1.00 0.00 N ATOM 659 CA LYS A 45 -11.982 1.635 6.347 1.00 0.00 C ATOM 660 C LYS A 45 -12.780 1.563 7.642 1.00 0.00 C ATOM 661 O LYS A 45 -13.982 1.836 7.667 1.00 0.00 O ATOM 662 CB LYS A 45 -12.493 2.765 5.448 1.00 0.00 C ATOM 663 CG LYS A 45 -11.782 2.828 4.103 1.00 0.00 C ATOM 664 CD LYS A 45 -12.193 4.052 3.303 1.00 0.00 C ATOM 665 CE LYS A 45 -11.557 4.052 1.921 1.00 0.00 C ATOM 666 NZ LYS A 45 -12.115 2.984 1.048 1.00 0.00 N ATOM 0 H LYS A 45 -12.858 0.249 5.046 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.941 1.854 6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.562 2.633 5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.366 3.717 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.704 2.844 4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.007 1.928 3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.278 4.077 3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.900 4.954 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.713 5.023 1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.480 3.915 2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.796 3.134 0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.786 2.056 1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.154 3.015 1.082 1.00 0.00 H new ATOM 680 N ALA A 46 -12.105 1.161 8.707 1.00 0.00 N ATOM 681 CA ALA A 46 -12.750 0.940 9.989 1.00 0.00 C ATOM 682 C ALA A 46 -12.963 2.251 10.738 1.00 0.00 C ATOM 683 O ALA A 46 -12.122 2.665 11.539 1.00 0.00 O ATOM 684 CB ALA A 46 -11.936 -0.035 10.827 1.00 0.00 C ATOM 0 H ALA A 46 -11.101 0.980 8.707 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.732 0.506 9.803 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.431 -0.192 11.786 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.854 -0.986 10.301 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.940 0.374 10.995 1.00 0.00 H new ATOM 690 N CYS A 47 -14.081 2.906 10.431 1.00 0.00 N ATOM 691 CA CYS A 47 -14.510 4.126 11.115 1.00 0.00 C ATOM 692 C CYS A 47 -13.553 5.291 10.846 1.00 0.00 C ATOM 693 O CYS A 47 -13.788 6.104 9.949 1.00 0.00 O ATOM 694 CB CYS A 47 -14.647 3.875 12.621 1.00 0.00 C ATOM 695 SG CYS A 47 -15.669 2.440 13.036 1.00 0.00 S ATOM 0 H CYS A 47 -14.720 2.604 9.696 1.00 0.00 H new ATOM 0 HA CYS A 47 -15.485 4.405 10.716 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.654 3.737 13.048 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -15.075 4.761 13.090 1.00 0.00 H new ATOM 0 HG CYS A 47 -15.725 2.306 14.328 1.00 0.00 H new ATOM 701 N GLY A 48 -12.469 5.359 11.610 1.00 0.00 N ATOM 702 CA GLY A 48 -11.521 6.444 11.460 1.00 0.00 C ATOM 703 C GLY A 48 -10.141 5.951 11.085 1.00 0.00 C ATOM 704 O GLY A 48 -9.182 6.724 11.054 1.00 0.00 O ATOM 0 H GLY A 48 -12.230 4.679 12.332 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.879 7.133 10.695 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.463 7.005 12.393 1.00 0.00 H new ATOM 708 N ALA A 49 -10.036 4.661 10.798 1.00 0.00 N ATOM 709 CA ALA A 49 -8.764 4.063 10.426 1.00 0.00 C ATOM 710 C ALA A 49 -8.861 3.402 9.057 1.00 0.00 C ATOM 711 O ALA A 49 -9.865 2.770 8.737 1.00 0.00 O ATOM 712 CB ALA A 49 -8.326 3.050 11.476 1.00 0.00 C ATOM 0 H ALA A 49 -10.819 4.008 10.816 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.016 4.854 10.373 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.372 2.611 11.183 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.215 3.549 12.439 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.077 2.264 11.559 1.00 0.00 H new ATOM 718 N VAL A 50 -7.827 3.568 8.248 1.00 0.00 N ATOM 719 CA VAL A 50 -7.781 2.944 6.934 1.00 0.00 C ATOM 720 C VAL A 50 -6.902 1.703 6.979 1.00 0.00 C ATOM 721 O VAL A 50 -5.692 1.794 7.209 1.00 0.00 O ATOM 722 CB VAL A 50 -7.254 3.919 5.860 1.00 0.00 C ATOM 723 CG1 VAL A 50 -7.148 3.233 4.508 1.00 0.00 C ATOM 724 CG2 VAL A 50 -8.156 5.141 5.765 1.00 0.00 C ATOM 0 H VAL A 50 -7.007 4.130 8.478 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.799 2.663 6.663 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.256 4.242 6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.774 3.942 3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.462 2.389 4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.132 2.876 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.771 5.819 5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.165 4.828 5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.179 5.652 6.728 1.00 0.00 H new ATOM 734 N ASP A 51 -7.520 0.549 6.780 1.00 0.00 N ATOM 735 CA ASP A 51 -6.821 -0.724 6.871 1.00 0.00 C ATOM 736 C ASP A 51 -6.927 -1.504 5.568 1.00 0.00 C ATOM 737 O ASP A 51 -7.803 -1.249 4.740 1.00 0.00 O ATOM 738 CB ASP A 51 -7.392 -1.573 8.013 1.00 0.00 C ATOM 739 CG ASP A 51 -6.998 -1.072 9.395 1.00 0.00 C ATOM 740 OD1 ASP A 51 -7.286 0.100 9.726 1.00 0.00 O ATOM 741 OD2 ASP A 51 -6.405 -1.854 10.164 1.00 0.00 O ATOM 0 H ASP A 51 -8.511 0.468 6.553 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.771 -0.506 7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.479 -1.587 7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.051 -2.602 7.897 1.00 0.00 H new ATOM 746 N TYR A 52 -6.017 -2.447 5.396 1.00 0.00 N ATOM 747 CA TYR A 52 -6.015 -3.346 4.251 1.00 0.00 C ATOM 748 C TYR A 52 -5.635 -4.747 4.724 1.00 0.00 C ATOM 749 O TYR A 52 -4.454 -5.034 4.909 1.00 0.00 O ATOM 750 CB TYR A 52 -5.001 -2.891 3.190 1.00 0.00 C ATOM 751 CG TYR A 52 -5.401 -1.684 2.366 1.00 0.00 C ATOM 752 CD1 TYR A 52 -5.288 -0.394 2.871 1.00 0.00 C ATOM 753 CD2 TYR A 52 -5.859 -1.841 1.066 1.00 0.00 C ATOM 754 CE1 TYR A 52 -5.632 0.705 2.103 1.00 0.00 C ATOM 755 CE2 TYR A 52 -6.206 -0.750 0.294 1.00 0.00 C ATOM 756 CZ TYR A 52 -6.089 0.521 0.815 1.00 0.00 C ATOM 757 OH TYR A 52 -6.435 1.611 0.045 1.00 0.00 O ATOM 0 H TYR A 52 -5.253 -2.613 6.051 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.010 -3.342 3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.057 -2.670 3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.815 -3.724 2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.926 -0.247 3.878 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.946 -2.834 0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.543 1.701 2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.568 -0.892 -0.714 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.283 2.434 0.556 1.00 0.00 H new ATOM 767 N PHE A 53 -6.619 -5.603 4.958 1.00 0.00 N ATOM 768 CA PHE A 53 -6.338 -6.970 5.391 1.00 0.00 C ATOM 769 C PHE A 53 -7.473 -7.913 5.034 1.00 0.00 C ATOM 770 O PHE A 53 -8.630 -7.506 4.934 1.00 0.00 O ATOM 771 CB PHE A 53 -6.022 -7.042 6.897 1.00 0.00 C ATOM 772 CG PHE A 53 -7.117 -6.554 7.807 1.00 0.00 C ATOM 773 CD1 PHE A 53 -8.140 -7.401 8.203 1.00 0.00 C ATOM 774 CD2 PHE A 53 -7.112 -5.251 8.276 1.00 0.00 C ATOM 775 CE1 PHE A 53 -9.139 -6.956 9.049 1.00 0.00 C ATOM 776 CE2 PHE A 53 -8.107 -4.802 9.122 1.00 0.00 C ATOM 777 CZ PHE A 53 -9.123 -5.654 9.507 1.00 0.00 C ATOM 0 H PHE A 53 -7.610 -5.382 4.858 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.448 -7.294 4.851 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.792 -8.076 7.154 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -5.123 -6.457 7.091 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.157 -8.420 7.847 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -6.321 -4.579 7.977 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -9.930 -7.626 9.351 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.090 -3.784 9.483 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.904 -5.302 10.165 1.00 0.00 H new ATOM 787 N CYS A 54 -7.119 -9.173 4.828 1.00 0.00 N ATOM 788 CA CYS A 54 -8.081 -10.207 4.488 1.00 0.00 C ATOM 789 C CYS A 54 -8.933 -10.551 5.708 1.00 0.00 C ATOM 790 O CYS A 54 -8.584 -11.438 6.487 1.00 0.00 O ATOM 791 CB CYS A 54 -7.347 -11.455 3.990 1.00 0.00 C ATOM 792 SG CYS A 54 -6.006 -11.117 2.818 1.00 0.00 S ATOM 0 H CYS A 54 -6.157 -9.506 4.892 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.734 -9.839 3.696 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.937 -11.988 4.848 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.068 -12.121 3.516 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.449 -12.236 2.461 1.00 0.00 H new ATOM 797 N GLN A 55 -10.034 -9.826 5.878 1.00 0.00 N ATOM 798 CA GLN A 55 -10.905 -9.998 7.036 1.00 0.00 C ATOM 799 C GLN A 55 -11.468 -11.414 7.077 1.00 0.00 C ATOM 800 O GLN A 55 -11.464 -12.065 8.121 1.00 0.00 O ATOM 801 CB GLN A 55 -12.038 -8.969 6.998 1.00 0.00 C ATOM 802 CG GLN A 55 -12.909 -8.953 8.245 1.00 0.00 C ATOM 803 CD GLN A 55 -13.971 -7.869 8.192 1.00 0.00 C ATOM 804 OE1 GLN A 55 -14.446 -7.500 7.117 1.00 0.00 O ATOM 805 NE2 GLN A 55 -14.355 -7.353 9.346 1.00 0.00 N ATOM 0 H GLN A 55 -10.346 -9.109 5.223 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.319 -9.839 7.941 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.608 -7.977 6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.668 -9.171 6.131 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.390 -9.924 8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.281 -8.800 9.122 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.939 -7.684 10.216 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.068 -6.624 9.367 1.00 0.00 H new ATOM 814 N ASN A 56 -11.941 -11.890 5.935 1.00 0.00 N ATOM 815 CA ASN A 56 -12.428 -13.256 5.827 1.00 0.00 C ATOM 816 C ASN A 56 -11.675 -13.991 4.726 1.00 0.00 C ATOM 817 O ASN A 56 -11.219 -13.381 3.759 1.00 0.00 O ATOM 818 CB ASN A 56 -13.941 -13.301 5.561 1.00 0.00 C ATOM 819 CG ASN A 56 -14.343 -12.767 4.195 1.00 0.00 C ATOM 820 OD1 ASN A 56 -13.750 -11.823 3.673 1.00 0.00 O ATOM 821 ND2 ASN A 56 -15.356 -13.381 3.604 1.00 0.00 N ATOM 0 H ASN A 56 -11.998 -11.351 5.071 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.248 -13.752 6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.286 -14.331 5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.453 -12.723 6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.671 -13.075 2.683 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.822 -14.160 4.069 1.00 0.00 H new ATOM 828 N GLY A 57 -11.518 -15.293 4.894 1.00 0.00 N ATOM 829 CA GLY A 57 -10.809 -16.086 3.913 1.00 0.00 C ATOM 830 C GLY A 57 -9.390 -16.389 4.345 1.00 0.00 C ATOM 831 O GLY A 57 -8.805 -17.390 3.932 1.00 0.00 O ATOM 0 H GLY A 57 -11.870 -15.817 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.345 -17.021 3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.792 -15.555 2.961 1.00 0.00 H new ATOM 835 N HIS A 58 -8.841 -15.524 5.185 1.00 0.00 N ATOM 836 CA HIS A 58 -7.482 -15.685 5.686 1.00 0.00 C ATOM 837 C HIS A 58 -7.434 -15.344 7.171 1.00 0.00 C ATOM 838 O HIS A 58 -7.131 -16.196 8.008 1.00 0.00 O ATOM 839 CB HIS A 58 -6.509 -14.792 4.886 1.00 0.00 C ATOM 840 CG HIS A 58 -5.083 -14.791 5.380 1.00 0.00 C ATOM 841 ND1 HIS A 58 -4.475 -15.508 6.355 1.00 0.00 N flip ATOM 842 CD2 HIS A 58 -4.108 -13.960 4.862 1.00 0.00 C flip ATOM 843 CE1 HIS A 58 -3.167 -15.103 6.413 1.00 0.00 C flip ATOM 844 NE2 HIS A 58 -2.970 -14.169 5.502 1.00 0.00 N flip ATOM 0 H HIS A 58 -9.320 -14.695 5.537 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.174 -16.723 5.558 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.516 -15.116 3.845 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.883 -13.768 4.903 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.253 -13.251 4.060 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.420 -15.486 7.093 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -2.088 -13.689 5.322 1.00 0.00 H new ATOM 852 N GLY A 59 -7.734 -14.100 7.486 1.00 0.00 N ATOM 853 CA GLY A 59 -7.636 -13.631 8.849 1.00 0.00 C ATOM 854 C GLY A 59 -6.896 -12.319 8.907 1.00 0.00 C ATOM 855 O GLY A 59 -6.070 -12.034 8.038 1.00 0.00 O ATOM 0 H GLY A 59 -8.047 -13.398 6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.634 -13.511 9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.120 -14.373 9.458 1.00 0.00 H new ATOM 859 N LEU A 60 -7.184 -11.514 9.916 1.00 0.00 N ATOM 860 CA LEU A 60 -6.586 -10.194 10.019 1.00 0.00 C ATOM 861 C LEU A 60 -5.095 -10.294 10.317 1.00 0.00 C ATOM 862 O LEU A 60 -4.661 -11.105 11.136 1.00 0.00 O ATOM 863 CB LEU A 60 -7.313 -9.358 11.086 1.00 0.00 C ATOM 864 CG LEU A 60 -7.329 -9.934 12.509 1.00 0.00 C ATOM 865 CD1 LEU A 60 -6.138 -9.432 13.317 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.634 -9.584 13.209 1.00 0.00 C ATOM 0 H LEU A 60 -7.826 -11.750 10.673 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.696 -9.689 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.850 -8.372 11.122 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.344 -9.214 10.764 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.253 -11.019 12.436 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.175 -9.856 14.321 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.212 -9.736 12.828 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.174 -8.344 13.381 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.629 -10.000 14.217 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.738 -8.500 13.264 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.471 -10.001 12.648 1.00 0.00 H new ATOM 878 N ILE A 61 -4.315 -9.493 9.616 1.00 0.00 N ATOM 879 CA ILE A 61 -2.888 -9.414 9.859 1.00 0.00 C ATOM 880 C ILE A 61 -2.588 -8.131 10.620 1.00 0.00 C ATOM 881 O ILE A 61 -3.207 -7.100 10.353 1.00 0.00 O ATOM 882 CB ILE A 61 -2.082 -9.448 8.536 1.00 0.00 C ATOM 883 CG1 ILE A 61 -2.397 -10.728 7.749 1.00 0.00 C ATOM 884 CG2 ILE A 61 -0.583 -9.347 8.806 1.00 0.00 C ATOM 885 CD1 ILE A 61 -2.044 -12.005 8.485 1.00 0.00 C ATOM 0 H ILE A 61 -4.649 -8.884 8.869 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.586 -10.280 10.448 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.379 -8.587 7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.460 -10.742 7.507 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.855 -10.704 6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.041 -9.373 7.861 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.368 -8.411 9.322 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.268 -10.185 9.428 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.296 -12.865 7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.976 -12.016 8.703 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.605 -12.054 9.418 1.00 0.00 H new ATOM 897 N SER A 62 -1.677 -8.211 11.584 1.00 0.00 N ATOM 898 CA SER A 62 -1.300 -7.060 12.392 1.00 0.00 C ATOM 899 C SER A 62 -0.967 -5.859 11.506 1.00 0.00 C ATOM 900 O SER A 62 -0.110 -5.942 10.624 1.00 0.00 O ATOM 901 CB SER A 62 -0.104 -7.430 13.269 1.00 0.00 C ATOM 902 OG SER A 62 -0.321 -8.680 13.911 1.00 0.00 O ATOM 0 H SER A 62 -1.183 -9.070 11.825 1.00 0.00 H new ATOM 0 HA SER A 62 -2.140 -6.780 13.027 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.799 -7.480 12.660 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.059 -6.654 14.017 1.00 0.00 H new ATOM 0 HG SER A 62 0.455 -8.902 14.467 1.00 0.00 H new ATOM 908 N LYS A 63 -1.650 -4.750 11.752 1.00 0.00 N ATOM 909 CA LYS A 63 -1.517 -3.548 10.933 1.00 0.00 C ATOM 910 C LYS A 63 -0.102 -2.973 11.032 1.00 0.00 C ATOM 911 O LYS A 63 0.372 -2.287 10.129 1.00 0.00 O ATOM 912 CB LYS A 63 -2.550 -2.514 11.383 1.00 0.00 C ATOM 913 CG LYS A 63 -2.641 -1.287 10.492 1.00 0.00 C ATOM 914 CD LYS A 63 -3.772 -0.379 10.942 1.00 0.00 C ATOM 915 CE LYS A 63 -3.948 0.808 10.016 1.00 0.00 C ATOM 916 NZ LYS A 63 -5.169 1.587 10.349 1.00 0.00 N ATOM 0 H LYS A 63 -2.311 -4.656 12.523 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.696 -3.808 9.890 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.529 -2.991 11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.308 -2.194 12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.698 -0.742 10.519 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.803 -1.593 9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.700 -0.949 10.982 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.572 -0.024 11.953 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.074 1.455 10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.008 0.460 8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.016 2.589 10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.974 1.223 9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.373 1.495 11.365 1.00 0.00 H new ATOM 930 N LYS A 64 0.568 -3.268 12.135 1.00 0.00 N ATOM 931 CA LYS A 64 1.947 -2.838 12.330 1.00 0.00 C ATOM 932 C LYS A 64 2.928 -3.845 11.735 1.00 0.00 C ATOM 933 O LYS A 64 4.143 -3.669 11.821 1.00 0.00 O ATOM 934 CB LYS A 64 2.229 -2.650 13.818 1.00 0.00 C ATOM 935 CG LYS A 64 1.434 -1.517 14.438 1.00 0.00 C ATOM 936 CD LYS A 64 1.650 -1.433 15.938 1.00 0.00 C ATOM 937 CE LYS A 64 0.955 -0.215 16.519 1.00 0.00 C ATOM 938 NZ LYS A 64 1.553 1.051 16.018 1.00 0.00 N ATOM 0 H LYS A 64 0.180 -3.804 12.911 1.00 0.00 H new ATOM 0 HA LYS A 64 2.083 -1.888 11.814 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.000 -3.577 14.345 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.293 -2.458 13.958 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.724 -0.574 13.975 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.374 -1.661 14.231 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.269 -2.336 16.415 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.717 -1.385 16.153 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.104 -0.244 16.263 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.021 -0.243 17.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.278 1.836 16.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.589 0.965 16.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.210 1.239 15.054 1.00 0.00 H new ATOM 952 N ARG A 65 2.395 -4.894 11.130 1.00 0.00 N ATOM 953 CA ARG A 65 3.219 -5.940 10.541 1.00 0.00 C ATOM 954 C ARG A 65 3.019 -5.996 9.028 1.00 0.00 C ATOM 955 O ARG A 65 3.888 -6.471 8.294 1.00 0.00 O ATOM 956 CB ARG A 65 2.882 -7.289 11.181 1.00 0.00 C ATOM 957 CG ARG A 65 3.616 -8.472 10.574 1.00 0.00 C ATOM 958 CD ARG A 65 3.239 -9.763 11.273 1.00 0.00 C ATOM 959 NE ARG A 65 3.718 -10.940 10.554 1.00 0.00 N ATOM 960 CZ ARG A 65 3.386 -12.188 10.872 1.00 0.00 C ATOM 961 NH1 ARG A 65 2.679 -12.432 11.970 1.00 0.00 N ATOM 962 NH2 ARG A 65 3.788 -13.196 10.109 1.00 0.00 N ATOM 0 H ARG A 65 1.391 -5.045 11.033 1.00 0.00 H new ATOM 0 HA ARG A 65 4.267 -5.712 10.733 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.113 -7.241 12.245 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.809 -7.460 11.096 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.378 -8.546 9.513 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.692 -8.314 10.649 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.653 -9.762 12.281 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.155 -9.817 11.373 1.00 0.00 H new ATOM 0 HE ARG A 65 4.344 -10.797 9.761 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.389 -11.661 12.572 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.426 -13.390 12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.352 -13.014 9.279 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.533 -14.153 10.353 1.00 0.00 H new ATOM 976 N VAL A 66 1.874 -5.507 8.564 1.00 0.00 N ATOM 977 CA VAL A 66 1.578 -5.476 7.134 1.00 0.00 C ATOM 978 C VAL A 66 2.547 -4.554 6.403 1.00 0.00 C ATOM 979 O VAL A 66 3.139 -3.652 7.003 1.00 0.00 O ATOM 980 CB VAL A 66 0.135 -5.010 6.844 1.00 0.00 C ATOM 981 CG1 VAL A 66 -0.876 -5.987 7.413 1.00 0.00 C ATOM 982 CG2 VAL A 66 -0.106 -3.618 7.399 1.00 0.00 C ATOM 0 H VAL A 66 1.135 -5.127 9.156 1.00 0.00 H new ATOM 0 HA VAL A 66 1.689 -6.499 6.774 1.00 0.00 H new ATOM 0 HB VAL A 66 0.008 -4.976 5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.884 -5.635 7.195 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.728 -6.968 6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.743 -6.061 8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.129 -3.312 7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.050 -3.624 8.478 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.588 -2.917 6.936 1.00 0.00 H new ATOM 992 N ASN A 67 2.716 -4.781 5.111 1.00 0.00 N ATOM 993 CA ASN A 67 3.626 -3.964 4.328 1.00 0.00 C ATOM 994 C ASN A 67 2.855 -3.050 3.383 1.00 0.00 C ATOM 995 O ASN A 67 2.299 -3.503 2.383 1.00 0.00 O ATOM 996 CB ASN A 67 4.598 -4.848 3.543 1.00 0.00 C ATOM 997 CG ASN A 67 5.727 -4.054 2.919 1.00 0.00 C ATOM 998 OD1 ASN A 67 6.137 -3.017 3.442 1.00 0.00 O ATOM 999 ND2 ASN A 67 6.253 -4.540 1.805 1.00 0.00 N ATOM 0 H ASN A 67 2.241 -5.516 4.587 1.00 0.00 H new ATOM 0 HA ASN A 67 4.200 -3.340 5.013 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.014 -5.605 4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.053 -5.376 2.760 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.025 -4.052 1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.886 -5.402 1.402 1.00 0.00 H new ATOM 1006 N PHE A 68 2.803 -1.768 3.727 1.00 0.00 N ATOM 1007 CA PHE A 68 2.148 -0.772 2.889 1.00 0.00 C ATOM 1008 C PHE A 68 3.073 -0.330 1.762 1.00 0.00 C ATOM 1009 O PHE A 68 4.078 0.341 1.999 1.00 0.00 O ATOM 1010 CB PHE A 68 1.727 0.446 3.718 1.00 0.00 C ATOM 1011 CG PHE A 68 0.398 0.302 4.405 1.00 0.00 C ATOM 1012 CD1 PHE A 68 0.288 -0.348 5.623 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -0.744 0.838 3.831 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -0.938 -0.464 6.252 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -1.970 0.727 4.456 1.00 0.00 C ATOM 1016 CZ PHE A 68 -2.067 0.077 5.669 1.00 0.00 C ATOM 0 H PHE A 68 3.209 -1.393 4.585 1.00 0.00 H new ATOM 0 HA PHE A 68 1.257 -1.230 2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.492 0.640 4.470 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.692 1.319 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.168 -0.768 6.086 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.674 1.349 2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.013 -0.978 7.199 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.852 1.148 3.996 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.024 -0.009 6.162 1.00 0.00 H new ATOM 1026 N VAL A 69 2.734 -0.717 0.543 1.00 0.00 N ATOM 1027 CA VAL A 69 3.528 -0.355 -0.621 1.00 0.00 C ATOM 1028 C VAL A 69 2.657 0.273 -1.699 1.00 0.00 C ATOM 1029 O VAL A 69 1.433 0.334 -1.567 1.00 0.00 O ATOM 1030 CB VAL A 69 4.271 -1.568 -1.220 1.00 0.00 C ATOM 1031 CG1 VAL A 69 5.343 -2.068 -0.264 1.00 0.00 C ATOM 1032 CG2 VAL A 69 3.296 -2.684 -1.567 1.00 0.00 C ATOM 0 H VAL A 69 1.912 -1.283 0.333 1.00 0.00 H new ATOM 0 HA VAL A 69 4.268 0.368 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 69 4.758 -1.246 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.854 -2.923 -0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.063 -1.272 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.881 -2.368 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.843 -3.528 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.773 -3.004 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.572 -2.321 -2.297 1.00 0.00 H new ATOM 1042 N ILE A 70 3.296 0.742 -2.759 1.00 0.00 N ATOM 1043 CA ILE A 70 2.592 1.357 -3.871 1.00 0.00 C ATOM 1044 C ILE A 70 1.945 0.282 -4.732 1.00 0.00 C ATOM 1045 O ILE A 70 2.635 -0.536 -5.339 1.00 0.00 O ATOM 1046 CB ILE A 70 3.553 2.200 -4.733 1.00 0.00 C ATOM 1047 CG1 ILE A 70 4.226 3.273 -3.869 1.00 0.00 C ATOM 1048 CG2 ILE A 70 2.812 2.834 -5.904 1.00 0.00 C ATOM 1049 CD1 ILE A 70 5.323 4.036 -4.579 1.00 0.00 C ATOM 0 H ILE A 70 4.309 0.707 -2.872 1.00 0.00 H new ATOM 0 HA ILE A 70 1.823 2.014 -3.466 1.00 0.00 H new ATOM 0 HB ILE A 70 4.324 1.546 -5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.468 3.979 -3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.643 2.800 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.509 3.424 -6.499 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.377 2.052 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.020 3.480 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.749 4.776 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.102 3.343 -4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.909 4.540 -5.453 1.00 0.00 H new ATOM 1061 N SER A 71 0.622 0.263 -4.766 1.00 0.00 N ATOM 1062 CA SER A 71 -0.091 -0.755 -5.515 1.00 0.00 C ATOM 1063 C SER A 71 -1.273 -0.169 -6.275 1.00 0.00 C ATOM 1064 O SER A 71 -2.126 0.504 -5.697 1.00 0.00 O ATOM 1065 CB SER A 71 -0.568 -1.858 -4.570 1.00 0.00 C ATOM 1066 OG SER A 71 0.523 -2.437 -3.876 1.00 0.00 O ATOM 0 H SER A 71 0.025 0.937 -4.287 1.00 0.00 H new ATOM 0 HA SER A 71 0.598 -1.176 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.281 -1.447 -3.856 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.092 -2.627 -5.138 1.00 0.00 H new ATOM 0 HG SER A 71 0.477 -3.413 -3.950 1.00 0.00 H new ATOM 1072 N ASP A 72 -1.292 -0.418 -7.576 1.00 0.00 N ATOM 1073 CA ASP A 72 -2.410 -0.048 -8.433 1.00 0.00 C ATOM 1074 C ASP A 72 -2.318 -0.876 -9.713 1.00 0.00 C ATOM 1075 O ASP A 72 -1.420 -1.713 -9.836 1.00 0.00 O ATOM 1076 CB ASP A 72 -2.401 1.456 -8.747 1.00 0.00 C ATOM 1077 CG ASP A 72 -3.733 1.949 -9.295 1.00 0.00 C ATOM 1078 OD1 ASP A 72 -4.613 2.325 -8.492 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -3.906 1.956 -10.532 1.00 0.00 O ATOM 0 H ASP A 72 -0.530 -0.884 -8.069 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.350 -0.254 -7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.158 2.011 -7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.614 1.667 -9.471 1.00 0.00 H new ATOM 1084 N GLN A 73 -3.220 -0.655 -10.654 1.00 0.00 N ATOM 1085 CA GLN A 73 -3.268 -1.466 -11.864 1.00 0.00 C ATOM 1086 C GLN A 73 -3.402 -0.578 -13.101 1.00 0.00 C ATOM 1087 O GLN A 73 -3.501 -1.076 -14.225 1.00 0.00 O ATOM 1088 CB GLN A 73 -4.451 -2.439 -11.785 1.00 0.00 C ATOM 1089 CG GLN A 73 -4.400 -3.566 -12.806 1.00 0.00 C ATOM 1090 CD GLN A 73 -3.250 -4.525 -12.562 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -2.828 -4.731 -11.425 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -2.736 -5.119 -13.627 1.00 0.00 N ATOM 0 H GLN A 73 -3.929 0.077 -10.606 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.340 -2.031 -11.945 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.486 -2.871 -10.785 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.377 -1.880 -11.923 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.340 -4.118 -12.779 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.308 -3.141 -13.806 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.114 -4.921 -14.553 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.962 -5.774 -13.521 1.00 0.00 H new ATOM 1101 N LEU A 74 -3.402 0.738 -12.879 1.00 0.00 N ATOM 1102 CA LEU A 74 -3.634 1.715 -13.942 1.00 0.00 C ATOM 1103 C LEU A 74 -5.041 1.538 -14.500 1.00 0.00 C ATOM 1104 O LEU A 74 -5.326 1.875 -15.650 1.00 0.00 O ATOM 1105 CB LEU A 74 -2.584 1.593 -15.055 1.00 0.00 C ATOM 1106 CG LEU A 74 -1.144 1.897 -14.629 1.00 0.00 C ATOM 1107 CD1 LEU A 74 -0.199 1.765 -15.813 1.00 0.00 C ATOM 1108 CD2 LEU A 74 -1.047 3.291 -14.025 1.00 0.00 C ATOM 0 H LEU A 74 -3.242 1.154 -11.961 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.541 2.716 -13.520 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.621 0.581 -15.458 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.857 2.269 -15.866 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.851 1.172 -13.870 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.819 1.984 -15.492 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.245 0.749 -16.204 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.493 2.467 -16.593 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.017 3.488 -13.729 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.360 4.030 -14.763 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.695 3.354 -13.150 1.00 0.00 H new ATOM 1120 N GLU A 75 -5.917 1.015 -13.655 1.00 0.00 N ATOM 1121 CA GLU A 75 -7.302 0.780 -14.011 1.00 0.00 C ATOM 1122 C GLU A 75 -8.153 1.882 -13.387 1.00 0.00 C ATOM 1123 O GLU A 75 -8.381 1.897 -12.175 1.00 0.00 O ATOM 1124 CB GLU A 75 -7.727 -0.607 -13.514 1.00 0.00 C ATOM 1125 CG GLU A 75 -8.851 -1.249 -14.313 1.00 0.00 C ATOM 1126 CD GLU A 75 -10.174 -0.535 -14.158 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -10.446 0.385 -14.949 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -10.945 -0.898 -13.242 1.00 0.00 O ATOM 0 H GLU A 75 -5.683 0.742 -12.701 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.435 0.802 -15.093 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.860 -1.268 -13.536 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.040 -0.525 -12.473 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.575 -1.265 -15.367 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.966 -2.286 -13.998 1.00 0.00 H new ATOM 1135 N HIS A 76 -8.611 2.806 -14.218 1.00 0.00 N ATOM 1136 CA HIS A 76 -9.259 4.019 -13.729 1.00 0.00 C ATOM 1137 C HIS A 76 -10.759 3.828 -13.515 1.00 0.00 C ATOM 1138 O HIS A 76 -11.509 4.806 -13.470 1.00 0.00 O ATOM 1139 CB HIS A 76 -9.001 5.182 -14.691 1.00 0.00 C ATOM 1140 CG HIS A 76 -7.556 5.583 -14.774 1.00 0.00 C ATOM 1141 ND1 HIS A 76 -6.982 6.516 -13.940 1.00 0.00 N ATOM 1142 CD2 HIS A 76 -6.568 5.166 -15.599 1.00 0.00 C ATOM 1143 CE1 HIS A 76 -5.706 6.657 -14.250 1.00 0.00 C ATOM 1144 NE2 HIS A 76 -5.429 5.848 -15.254 1.00 0.00 N ATOM 0 H HIS A 76 -8.547 2.741 -15.234 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.823 4.251 -12.757 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -9.350 4.905 -15.686 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -9.591 6.042 -14.375 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.659 4.431 -16.385 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.008 7.322 -13.764 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.518 5.746 -15.701 1.00 0.00 H new ATOM 1153 N HIS A 77 -11.182 2.570 -13.390 1.00 0.00 N ATOM 1154 CA HIS A 77 -12.555 2.217 -13.017 1.00 0.00 C ATOM 1155 C HIS A 77 -13.520 2.410 -14.185 1.00 0.00 C ATOM 1156 O HIS A 77 -13.414 3.377 -14.942 1.00 0.00 O ATOM 1157 CB HIS A 77 -13.019 3.019 -11.790 1.00 0.00 C ATOM 1158 CG HIS A 77 -14.371 2.625 -11.282 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -14.554 1.697 -10.285 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -15.608 3.035 -11.642 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -15.843 1.549 -10.056 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -16.507 2.352 -10.866 1.00 0.00 N ATOM 0 H HIS A 77 -10.580 1.762 -13.545 1.00 0.00 H new ATOM 0 HA HIS A 77 -12.559 1.159 -12.754 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -12.290 2.893 -10.989 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -13.032 4.079 -12.045 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -15.844 3.766 -12.401 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -16.282 0.883 -9.328 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -17.522 2.448 -10.907 1.00 0.00 H new ATOM 1171 N HIS A 78 -14.467 1.477 -14.304 1.00 0.00 N ATOM 1172 CA HIS A 78 -15.434 1.459 -15.399 1.00 0.00 C ATOM 1173 C HIS A 78 -14.703 1.166 -16.697 1.00 0.00 C ATOM 1174 O HIS A 78 -14.286 2.077 -17.414 1.00 0.00 O ATOM 1175 CB HIS A 78 -16.218 2.778 -15.494 1.00 0.00 C ATOM 1176 CG HIS A 78 -17.324 2.757 -16.507 1.00 0.00 C ATOM 1177 ND1 HIS A 78 -18.620 2.423 -16.192 1.00 0.00 N ATOM 1178 CD2 HIS A 78 -17.327 3.042 -17.832 1.00 0.00 C ATOM 1179 CE1 HIS A 78 -19.370 2.502 -17.272 1.00 0.00 C ATOM 1180 NE2 HIS A 78 -18.611 2.877 -18.284 1.00 0.00 N ATOM 0 H HIS A 78 -14.584 0.711 -13.641 1.00 0.00 H new ATOM 0 HA HIS A 78 -16.167 0.676 -15.206 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -16.639 3.010 -14.516 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -15.526 3.583 -15.742 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -16.475 3.344 -18.423 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -20.429 2.295 -17.321 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -18.927 3.020 -19.243 1.00 0.00 H new ATOM 1189 N HIS A 79 -14.521 -0.111 -16.978 1.00 0.00 N ATOM 1190 CA HIS A 79 -13.672 -0.510 -18.081 1.00 0.00 C ATOM 1191 C HIS A 79 -14.372 -1.477 -19.025 1.00 0.00 C ATOM 1192 O HIS A 79 -14.271 -2.693 -18.873 1.00 0.00 O ATOM 1193 CB HIS A 79 -12.393 -1.149 -17.547 1.00 0.00 C ATOM 1194 CG HIS A 79 -11.157 -0.652 -18.222 1.00 0.00 C ATOM 1195 ND1 HIS A 79 -10.191 0.075 -17.565 1.00 0.00 N ATOM 1196 CD2 HIS A 79 -10.731 -0.775 -19.499 1.00 0.00 C ATOM 1197 CE1 HIS A 79 -9.226 0.381 -18.409 1.00 0.00 C ATOM 1198 NE2 HIS A 79 -9.528 -0.125 -19.589 1.00 0.00 N ATOM 0 H HIS A 79 -14.946 -0.882 -16.462 1.00 0.00 H new ATOM 0 HA HIS A 79 -13.431 0.389 -18.648 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -12.317 -0.954 -16.477 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -12.456 -2.230 -17.671 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -10.218 0.336 -16.579 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.243 -1.289 -20.299 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.338 0.950 -18.174 1.00 0.00 H new ATOM 1207 N HIS A 80 -15.109 -0.930 -19.975 1.00 0.00 N ATOM 1208 CA HIS A 80 -15.630 -1.717 -21.083 1.00 0.00 C ATOM 1209 C HIS A 80 -14.914 -1.277 -22.353 1.00 0.00 C ATOM 1210 O HIS A 80 -14.785 -2.033 -23.314 1.00 0.00 O ATOM 1211 CB HIS A 80 -17.146 -1.542 -21.216 1.00 0.00 C ATOM 1212 CG HIS A 80 -17.790 -2.520 -22.157 1.00 0.00 C ATOM 1213 ND1 HIS A 80 -18.096 -3.814 -21.798 1.00 0.00 N ATOM 1214 CD2 HIS A 80 -18.194 -2.384 -23.443 1.00 0.00 C ATOM 1215 CE1 HIS A 80 -18.658 -4.432 -22.819 1.00 0.00 C ATOM 1216 NE2 HIS A 80 -18.731 -3.589 -23.830 1.00 0.00 N ATOM 0 H HIS A 80 -15.362 0.058 -20.003 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.449 -2.777 -20.904 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -17.602 -1.646 -20.231 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -17.356 -0.529 -21.560 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -18.110 -1.495 -24.051 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -19.001 -5.456 -22.826 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -19.122 -3.797 -24.749 1.00 0.00 H new ATOM 1225 N HIS A 81 -14.453 -0.032 -22.339 1.00 0.00 N ATOM 1226 CA HIS A 81 -13.574 0.482 -23.377 1.00 0.00 C ATOM 1227 C HIS A 81 -12.166 0.584 -22.814 1.00 0.00 C ATOM 1228 O HIS A 81 -11.911 1.534 -22.047 1.00 0.00 O ATOM 1229 CB HIS A 81 -14.026 1.862 -23.873 1.00 0.00 C ATOM 1230 CG HIS A 81 -15.399 1.888 -24.465 1.00 0.00 C ATOM 1231 ND1 HIS A 81 -16.394 2.719 -24.006 1.00 0.00 N ATOM 1232 CD2 HIS A 81 -15.936 1.195 -25.495 1.00 0.00 C ATOM 1233 CE1 HIS A 81 -17.484 2.537 -24.724 1.00 0.00 C ATOM 1234 NE2 HIS A 81 -17.235 1.617 -25.635 1.00 0.00 N ATOM 1235 OXT HIS A 81 -11.335 -0.294 -23.112 1.00 0.00 O ATOM 0 H HIS A 81 -14.678 0.645 -21.610 1.00 0.00 H new ATOM 0 HA HIS A 81 -13.605 -0.201 -24.226 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -13.990 2.564 -23.040 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -13.315 2.217 -24.619 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -15.436 0.449 -26.095 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -18.423 3.054 -24.589 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -17.899 1.275 -26.330 1.00 0.00 H new TER 1244 HIS A 81 HETATM 1245 ZN ZN A 150 9.835 13.002 -5.777 1.00 0.00 ZN HETATM 1246 ZN ZN A 200 -2.890 -15.758 1.661 1.00 0.00 ZN