USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= -0.128 (180deg=-0.583) USER MOD Single : A 12 GLN : amide:sc= -0.451 K(o=-0.45,f=-2!) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc=-0.000985 (180deg=-0.0822) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 19 ASN : amide:sc= -0.777 X(o=-0.78,f=-0.74) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= -3.01! (180deg=-3.18!) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.833 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.152 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 54 THR OG1 : rot 148:sc= 0.283 USER MOD Single : A 56 GLN : amide:sc= -5.73! C(o=-5.7!,f=-2.7!) USER MOD Single : A 59 SER OG : rot -45:sc= -0.948! USER MOD Single : A 60 THR OG1 : rot 62:sc= 0.846 USER MOD Single : A 62 LYS NZ :NH3+ -162:sc= -0.037 (180deg=-0.286) USER MOD Single : A 64 ASN : amide:sc= -4.37 K(o=-4.4,f=-2.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.909 0.537 -0.599 1.00 0.00 N ATOM 2 CA LEU A 1 2.714 0.415 -1.810 1.00 0.00 C ATOM 3 C LEU A 1 2.104 -0.602 -2.769 1.00 0.00 C ATOM 4 O LEU A 1 1.513 -1.596 -2.345 1.00 0.00 O ATOM 5 CB LEU A 1 4.144 0.005 -1.455 1.00 0.00 C ATOM 6 CG LEU A 1 5.239 0.505 -2.399 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.498 0.851 -1.619 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.540 -0.537 -3.466 1.00 0.00 C ATOM 0 H1 LEU A 1 2.344 1.235 0.038 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.949 0.849 -0.850 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.859 -0.385 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 1 2.733 1.386 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.365 0.366 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.191 -1.083 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 1 4.882 1.409 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.266 1.205 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.273 1.632 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.858 -0.036 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.321 -0.164 -4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.877 -1.458 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.638 -0.736 -4.045 1.00 0.00 H new ATOM 20 N THR A 2 2.252 -0.348 -4.066 1.00 0.00 N ATOM 21 CA THR A 2 1.717 -1.241 -5.086 1.00 0.00 C ATOM 22 C THR A 2 2.806 -2.147 -5.649 1.00 0.00 C ATOM 23 O THR A 2 3.830 -1.672 -6.142 1.00 0.00 O ATOM 24 CB THR A 2 1.073 -0.452 -6.241 1.00 0.00 C ATOM 25 OG1 THR A 2 0.212 0.566 -5.719 1.00 0.00 O ATOM 26 CG2 THR A 2 0.279 -1.377 -7.151 1.00 0.00 C ATOM 0 H THR A 2 2.738 0.469 -4.434 1.00 0.00 H new ATOM 0 HA THR A 2 0.954 -1.852 -4.603 1.00 0.00 H new ATOM 0 HB THR A 2 1.869 0.010 -6.824 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.192 1.064 -6.460 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.167 -0.797 -7.959 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.943 -2.133 -7.570 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.509 -1.864 -6.577 1.00 0.00 H new ATOM 34 N CYS A 3 2.579 -3.454 -5.573 1.00 0.00 N ATOM 35 CA CYS A 3 3.541 -4.428 -6.076 1.00 0.00 C ATOM 36 C CYS A 3 2.828 -5.631 -6.687 1.00 0.00 C ATOM 37 O CYS A 3 1.815 -6.098 -6.163 1.00 0.00 O ATOM 38 CB CYS A 3 4.468 -4.888 -4.949 1.00 0.00 C ATOM 39 SG CYS A 3 3.673 -4.955 -3.312 1.00 0.00 S ATOM 0 H CYS A 3 1.737 -3.863 -5.168 1.00 0.00 H new ATOM 0 HA CYS A 3 4.135 -3.948 -6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.856 -5.877 -5.193 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.323 -4.214 -4.898 1.00 0.00 H new ATOM 44 N LEU A 4 3.363 -6.128 -7.796 1.00 0.00 N ATOM 45 CA LEU A 4 2.779 -7.278 -8.479 1.00 0.00 C ATOM 46 C LEU A 4 3.042 -8.564 -7.702 1.00 0.00 C ATOM 47 O LEU A 4 3.965 -8.632 -6.889 1.00 0.00 O ATOM 48 CB LEU A 4 3.347 -7.398 -9.894 1.00 0.00 C ATOM 49 CG LEU A 4 3.154 -6.181 -10.800 1.00 0.00 C ATOM 50 CD1 LEU A 4 4.477 -5.464 -11.020 1.00 0.00 C ATOM 51 CD2 LEU A 4 2.544 -6.598 -12.130 1.00 0.00 C ATOM 0 H LEU A 4 4.200 -5.753 -8.242 1.00 0.00 H new ATOM 0 HA LEU A 4 1.701 -7.125 -8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.415 -7.605 -9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.888 -8.261 -10.376 1.00 0.00 H new ATOM 0 HG LEU A 4 2.468 -5.491 -10.308 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.320 -4.601 -11.667 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.874 -5.131 -10.061 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.186 -6.145 -11.490 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.414 -5.719 -12.762 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.205 -7.308 -12.627 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.575 -7.066 -11.955 1.00 0.00 H new ATOM 63 N ILE A 5 2.228 -9.581 -7.959 1.00 0.00 N ATOM 64 CA ILE A 5 2.375 -10.866 -7.287 1.00 0.00 C ATOM 65 C ILE A 5 1.711 -11.983 -8.084 1.00 0.00 C ATOM 66 O ILE A 5 0.604 -11.821 -8.598 1.00 0.00 O ATOM 67 CB ILE A 5 1.771 -10.833 -5.870 1.00 0.00 C ATOM 68 CG1 ILE A 5 1.426 -12.249 -5.406 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.535 -9.945 -5.842 1.00 0.00 C ATOM 70 CD1 ILE A 5 0.961 -12.317 -3.968 1.00 0.00 C ATOM 0 H ILE A 5 1.459 -9.541 -8.628 1.00 0.00 H new ATOM 0 HA ILE A 5 3.445 -11.062 -7.213 1.00 0.00 H new ATOM 0 HB ILE A 5 2.510 -10.416 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.646 -12.654 -6.051 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.302 -12.886 -5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.119 -9.932 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.808 -8.931 -6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.209 -10.335 -6.536 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.734 -13.351 -3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.748 -11.942 -3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.066 -11.707 -3.846 1.00 0.00 H new ATOM 82 N CYS A 6 2.393 -13.119 -8.182 1.00 0.00 N ATOM 83 CA CYS A 6 1.870 -14.265 -8.916 1.00 0.00 C ATOM 84 C CYS A 6 2.923 -15.365 -9.029 1.00 0.00 C ATOM 85 O CYS A 6 3.947 -15.212 -9.694 1.00 0.00 O ATOM 86 CB CYS A 6 1.412 -13.838 -10.312 1.00 0.00 C ATOM 87 SG CYS A 6 1.137 -15.225 -11.461 1.00 0.00 S ATOM 0 H CYS A 6 3.310 -13.271 -7.762 1.00 0.00 H new ATOM 0 HA CYS A 6 1.016 -14.658 -8.365 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.488 -13.267 -10.221 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.159 -13.169 -10.739 1.00 0.00 H new ATOM 92 N PRO A 7 2.664 -16.501 -8.364 1.00 0.00 N ATOM 93 CA PRO A 7 3.576 -17.649 -8.375 1.00 0.00 C ATOM 94 C PRO A 7 3.623 -18.339 -9.734 1.00 0.00 C ATOM 95 O PRO A 7 3.158 -19.469 -9.882 1.00 0.00 O ATOM 96 CB PRO A 7 2.981 -18.585 -7.320 1.00 0.00 C ATOM 97 CG PRO A 7 1.535 -18.228 -7.270 1.00 0.00 C ATOM 98 CD PRO A 7 1.462 -16.753 -7.552 1.00 0.00 C ATOM 0 HA PRO A 7 4.605 -17.354 -8.171 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.121 -19.631 -7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.458 -18.443 -6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.967 -18.795 -8.008 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.109 -18.460 -6.294 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.551 -16.491 -8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.468 -16.167 -6.633 1.00 0.00 H new ATOM 106 N GLU A 8 4.188 -17.653 -10.722 1.00 0.00 N ATOM 107 CA GLU A 8 4.295 -18.201 -12.069 1.00 0.00 C ATOM 108 C GLU A 8 5.499 -17.615 -12.801 1.00 0.00 C ATOM 109 O GLU A 8 6.230 -16.789 -12.256 1.00 0.00 O ATOM 110 CB GLU A 8 3.016 -17.921 -12.860 1.00 0.00 C ATOM 111 CG GLU A 8 1.773 -18.548 -12.251 1.00 0.00 C ATOM 112 CD GLU A 8 1.821 -20.064 -12.259 1.00 0.00 C ATOM 113 OE1 GLU A 8 2.528 -20.631 -13.117 1.00 0.00 O ATOM 114 OE2 GLU A 8 1.149 -20.682 -11.407 1.00 0.00 O ATOM 0 H GLU A 8 4.579 -16.717 -10.615 1.00 0.00 H new ATOM 0 HA GLU A 8 4.433 -19.279 -11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.871 -16.843 -12.930 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.139 -18.293 -13.877 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.659 -18.197 -11.225 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.894 -18.213 -12.802 1.00 0.00 H new ATOM 121 N LYS A 9 5.698 -18.049 -14.041 1.00 0.00 N ATOM 122 CA LYS A 9 6.811 -17.568 -14.851 1.00 0.00 C ATOM 123 C LYS A 9 6.354 -16.471 -15.807 1.00 0.00 C ATOM 124 O LYS A 9 7.126 -15.577 -16.155 1.00 0.00 O ATOM 125 CB LYS A 9 7.429 -18.723 -15.642 1.00 0.00 C ATOM 126 CG LYS A 9 6.466 -19.377 -16.618 1.00 0.00 C ATOM 127 CD LYS A 9 6.967 -20.739 -17.067 1.00 0.00 C ATOM 128 CE LYS A 9 6.935 -21.748 -15.929 1.00 0.00 C ATOM 129 NZ LYS A 9 5.582 -21.851 -15.316 1.00 0.00 N ATOM 0 H LYS A 9 5.103 -18.733 -14.507 1.00 0.00 H new ATOM 0 HA LYS A 9 7.562 -17.151 -14.180 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.295 -18.353 -16.192 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.793 -19.477 -14.944 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.488 -19.485 -16.149 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.333 -18.732 -17.487 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.353 -21.100 -17.892 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.985 -20.647 -17.444 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.240 -22.726 -16.302 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.658 -21.458 -15.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.514 -22.735 -14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.425 -21.041 -14.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.860 -21.849 -16.065 1.00 0.00 H new ATOM 143 N ASP A 10 5.096 -16.544 -16.226 1.00 0.00 N ATOM 144 CA ASP A 10 4.536 -15.555 -17.140 1.00 0.00 C ATOM 145 C ASP A 10 3.188 -15.049 -16.634 1.00 0.00 C ATOM 146 O ASP A 10 2.156 -15.260 -17.272 1.00 0.00 O ATOM 147 CB ASP A 10 4.379 -16.153 -18.539 1.00 0.00 C ATOM 148 CG ASP A 10 4.466 -15.104 -19.630 1.00 0.00 C ATOM 149 OD1 ASP A 10 5.142 -14.077 -19.413 1.00 0.00 O ATOM 150 OD2 ASP A 10 3.857 -15.310 -20.701 1.00 0.00 O ATOM 0 H ASP A 10 4.444 -17.278 -15.948 1.00 0.00 H new ATOM 0 HA ASP A 10 5.224 -14.711 -17.190 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.152 -16.904 -18.699 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.419 -16.665 -18.607 1.00 0.00 H new ATOM 155 N CYS A 11 3.205 -14.383 -15.485 1.00 0.00 N ATOM 156 CA CYS A 11 1.985 -13.849 -14.892 1.00 0.00 C ATOM 157 C CYS A 11 2.308 -12.936 -13.712 1.00 0.00 C ATOM 158 O CYS A 11 3.186 -13.238 -12.905 1.00 0.00 O ATOM 159 CB CYS A 11 1.074 -14.989 -14.435 1.00 0.00 C ATOM 160 SG CYS A 11 -0.025 -14.553 -13.049 1.00 0.00 S ATOM 0 H CYS A 11 4.051 -14.200 -14.945 1.00 0.00 H new ATOM 0 HA CYS A 11 1.468 -13.262 -15.651 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.465 -15.314 -15.279 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.692 -15.838 -14.142 1.00 0.00 H new ATOM 165 N GLN A 12 1.591 -11.821 -13.620 1.00 0.00 N ATOM 166 CA GLN A 12 1.802 -10.865 -12.540 1.00 0.00 C ATOM 167 C GLN A 12 0.517 -10.105 -12.227 1.00 0.00 C ATOM 168 O GLN A 12 -0.047 -9.434 -13.092 1.00 0.00 O ATOM 169 CB GLN A 12 2.913 -9.881 -12.910 1.00 0.00 C ATOM 170 CG GLN A 12 2.664 -9.147 -14.217 1.00 0.00 C ATOM 171 CD GLN A 12 3.935 -8.581 -14.820 1.00 0.00 C ATOM 172 OE1 GLN A 12 5.032 -9.082 -14.568 1.00 0.00 O ATOM 173 NE2 GLN A 12 3.795 -7.532 -15.621 1.00 0.00 N ATOM 0 H GLN A 12 0.859 -11.558 -14.280 1.00 0.00 H new ATOM 0 HA GLN A 12 2.100 -11.420 -11.651 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.022 -9.151 -12.108 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.857 -10.421 -12.980 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.201 -9.829 -14.930 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.956 -8.337 -14.045 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.867 -7.149 -15.802 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.615 -7.109 -16.055 1.00 0.00 H new ATOM 182 N LYS A 13 0.058 -10.215 -10.985 1.00 0.00 N ATOM 183 CA LYS A 13 -1.161 -9.538 -10.557 1.00 0.00 C ATOM 184 C LYS A 13 -0.846 -8.443 -9.543 1.00 0.00 C ATOM 185 O LYS A 13 -0.314 -8.713 -8.466 1.00 0.00 O ATOM 186 CB LYS A 13 -2.141 -10.544 -9.949 1.00 0.00 C ATOM 187 CG LYS A 13 -3.569 -10.373 -10.438 1.00 0.00 C ATOM 188 CD LYS A 13 -3.718 -10.803 -11.888 1.00 0.00 C ATOM 189 CE LYS A 13 -4.000 -12.294 -12.000 1.00 0.00 C ATOM 190 NZ LYS A 13 -5.398 -12.624 -11.610 1.00 0.00 N ATOM 0 H LYS A 13 0.512 -10.767 -10.257 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.619 -9.078 -11.433 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.804 -11.554 -10.183 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.123 -10.446 -8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.241 -10.960 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.867 -9.330 -10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.528 -10.242 -12.354 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.807 -10.561 -12.436 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.822 -12.622 -13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.306 -12.844 -11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.620 -13.597 -11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.499 -12.543 -10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.053 -11.964 -12.075 1.00 0.00 H new ATOM 204 N VAL A 14 -1.180 -7.205 -9.893 1.00 0.00 N ATOM 205 CA VAL A 14 -0.936 -6.069 -9.012 1.00 0.00 C ATOM 206 C VAL A 14 -1.603 -6.271 -7.656 1.00 0.00 C ATOM 207 O VAL A 14 -2.752 -6.706 -7.576 1.00 0.00 O ATOM 208 CB VAL A 14 -1.449 -4.756 -9.634 1.00 0.00 C ATOM 209 CG1 VAL A 14 -0.548 -4.318 -10.778 1.00 0.00 C ATOM 210 CG2 VAL A 14 -2.886 -4.918 -10.107 1.00 0.00 C ATOM 0 H VAL A 14 -1.620 -6.963 -10.781 1.00 0.00 H new ATOM 0 HA VAL A 14 0.143 -6.001 -8.876 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.427 -3.979 -8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.927 -3.389 -11.204 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.464 -4.160 -10.404 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.534 -5.091 -11.547 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.233 -3.982 -10.544 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.936 -5.708 -10.856 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.520 -5.181 -9.260 1.00 0.00 H new ATOM 220 N HIS A 15 -0.874 -5.952 -6.591 1.00 0.00 N ATOM 221 CA HIS A 15 -1.395 -6.098 -5.237 1.00 0.00 C ATOM 222 C HIS A 15 -0.765 -5.073 -4.299 1.00 0.00 C ATOM 223 O HIS A 15 0.454 -4.897 -4.281 1.00 0.00 O ATOM 224 CB HIS A 15 -1.133 -7.512 -4.716 1.00 0.00 C ATOM 225 CG HIS A 15 -1.656 -7.747 -3.332 1.00 0.00 C ATOM 226 ND1 HIS A 15 -0.836 -7.886 -2.232 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.923 -7.865 -2.873 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.577 -8.082 -1.156 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.847 -8.073 -1.518 1.00 0.00 N ATOM 0 H HIS A 15 0.079 -5.591 -6.640 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.471 -5.924 -5.268 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.590 -8.231 -5.395 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.060 -7.701 -4.727 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.826 -7.806 -3.463 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.207 -8.225 -0.151 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.643 -8.200 -0.892 1.00 0.00 H new ATOM 237 N THR A 16 -1.604 -4.396 -3.520 1.00 0.00 N ATOM 238 CA THR A 16 -1.130 -3.387 -2.581 1.00 0.00 C ATOM 239 C THR A 16 -0.806 -4.006 -1.226 1.00 0.00 C ATOM 240 O THR A 16 -1.659 -4.635 -0.599 1.00 0.00 O ATOM 241 CB THR A 16 -2.170 -2.268 -2.386 1.00 0.00 C ATOM 242 OG1 THR A 16 -3.190 -2.369 -3.386 1.00 0.00 O ATOM 243 CG2 THR A 16 -1.512 -0.899 -2.462 1.00 0.00 C ATOM 0 H THR A 16 -2.615 -4.529 -3.521 1.00 0.00 H new ATOM 0 HA THR A 16 -0.223 -2.959 -3.008 1.00 0.00 H new ATOM 0 HB THR A 16 -2.617 -2.384 -1.399 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.849 -1.655 -3.255 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.266 -0.125 -2.321 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.756 -0.815 -1.682 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.042 -0.775 -3.438 1.00 0.00 H new ATOM 251 N CYS A 17 0.432 -3.824 -0.778 1.00 0.00 N ATOM 252 CA CYS A 17 0.870 -4.364 0.503 1.00 0.00 C ATOM 253 C CYS A 17 -0.100 -3.976 1.616 1.00 0.00 C ATOM 254 O CYS A 17 -0.242 -2.799 1.947 1.00 0.00 O ATOM 255 CB CYS A 17 2.276 -3.862 0.838 1.00 0.00 C ATOM 256 SG CYS A 17 3.612 -4.961 0.269 1.00 0.00 S ATOM 0 H CYS A 17 1.150 -3.306 -1.284 1.00 0.00 H new ATOM 0 HA CYS A 17 0.889 -5.451 0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.415 -2.877 0.391 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.358 -3.737 1.918 1.00 0.00 H new ATOM 261 N ARG A 18 -0.763 -4.974 2.190 1.00 0.00 N ATOM 262 CA ARG A 18 -1.720 -4.738 3.265 1.00 0.00 C ATOM 263 C ARG A 18 -1.045 -4.058 4.452 1.00 0.00 C ATOM 264 O ARG A 18 0.134 -3.711 4.394 1.00 0.00 O ATOM 265 CB ARG A 18 -2.354 -6.056 3.711 1.00 0.00 C ATOM 266 CG ARG A 18 -3.030 -6.819 2.583 1.00 0.00 C ATOM 267 CD ARG A 18 -3.461 -8.207 3.030 1.00 0.00 C ATOM 268 NE ARG A 18 -2.338 -9.140 3.080 1.00 0.00 N ATOM 269 CZ ARG A 18 -2.383 -10.312 3.703 1.00 0.00 C ATOM 270 NH1 ARG A 18 -3.490 -10.694 4.325 1.00 0.00 N ATOM 271 NH2 ARG A 18 -1.320 -11.106 3.704 1.00 0.00 N ATOM 0 H ARG A 18 -0.655 -5.954 1.929 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.500 -4.079 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.585 -6.687 4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.088 -5.851 4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.899 -6.261 2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.346 -6.903 1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.923 -8.143 4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.219 -8.589 2.346 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.472 -8.877 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.310 -10.087 4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.522 -11.595 4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.467 -10.817 3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.356 -12.006 4.183 1.00 0.00 H new ATOM 285 N ASN A 19 -1.802 -3.870 5.528 1.00 0.00 N ATOM 286 CA ASN A 19 -1.278 -3.231 6.730 1.00 0.00 C ATOM 287 C ASN A 19 -0.133 -4.045 7.324 1.00 0.00 C ATOM 288 O ASN A 19 0.110 -5.180 6.917 1.00 0.00 O ATOM 289 CB ASN A 19 -2.389 -3.060 7.768 1.00 0.00 C ATOM 290 CG ASN A 19 -2.041 -2.028 8.824 1.00 0.00 C ATOM 291 OD1 ASN A 19 -1.940 -2.346 10.009 1.00 0.00 O ATOM 292 ND2 ASN A 19 -1.855 -0.785 8.397 1.00 0.00 N ATOM 0 H ASN A 19 -2.780 -4.151 5.592 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.896 -2.249 6.452 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.310 -2.765 7.265 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.582 -4.018 8.250 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.618 -0.048 9.061 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.949 -0.567 7.405 1.00 0.00 H new ATOM 299 N GLU A 20 0.567 -3.455 8.288 1.00 0.00 N ATOM 300 CA GLU A 20 1.687 -4.126 8.938 1.00 0.00 C ATOM 301 C GLU A 20 2.771 -4.481 7.924 1.00 0.00 C ATOM 302 O GLU A 20 3.634 -5.316 8.190 1.00 0.00 O ATOM 303 CB GLU A 20 1.207 -5.392 9.651 1.00 0.00 C ATOM 304 CG GLU A 20 1.054 -5.223 11.154 1.00 0.00 C ATOM 305 CD GLU A 20 1.431 -6.474 11.923 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.398 -7.570 11.327 1.00 0.00 O ATOM 307 OE2 GLU A 20 1.758 -6.355 13.123 1.00 0.00 O ATOM 0 H GLU A 20 0.379 -2.515 8.636 1.00 0.00 H new ATOM 0 HA GLU A 20 2.111 -3.442 9.673 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.249 -5.696 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.913 -6.199 9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.678 -4.394 11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.022 -4.958 11.383 1.00 0.00 H new ATOM 314 N GLU A 21 2.718 -3.839 6.761 1.00 0.00 N ATOM 315 CA GLU A 21 3.694 -4.087 5.707 1.00 0.00 C ATOM 316 C GLU A 21 3.921 -2.832 4.869 1.00 0.00 C ATOM 317 O GLU A 21 3.183 -1.854 4.983 1.00 0.00 O ATOM 318 CB GLU A 21 3.228 -5.236 4.809 1.00 0.00 C ATOM 319 CG GLU A 21 2.817 -6.480 5.578 1.00 0.00 C ATOM 320 CD GLU A 21 2.273 -7.570 4.675 1.00 0.00 C ATOM 321 OE1 GLU A 21 1.452 -7.251 3.789 1.00 0.00 O ATOM 322 OE2 GLU A 21 2.667 -8.742 4.854 1.00 0.00 O ATOM 0 H GLU A 21 2.010 -3.144 6.525 1.00 0.00 H new ATOM 0 HA GLU A 21 4.637 -4.364 6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.386 -4.897 4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.030 -5.495 4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.677 -6.864 6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.060 -6.213 6.316 1.00 0.00 H new ATOM 329 N LYS A 22 4.948 -2.869 4.026 1.00 0.00 N ATOM 330 CA LYS A 22 5.275 -1.736 3.168 1.00 0.00 C ATOM 331 C LYS A 22 6.054 -2.192 1.938 1.00 0.00 C ATOM 332 O LYS A 22 5.807 -1.723 0.827 1.00 0.00 O ATOM 333 CB LYS A 22 6.088 -0.699 3.944 1.00 0.00 C ATOM 334 CG LYS A 22 5.248 0.165 4.870 1.00 0.00 C ATOM 335 CD LYS A 22 6.063 1.301 5.465 1.00 0.00 C ATOM 336 CE LYS A 22 6.032 2.534 4.575 1.00 0.00 C ATOM 337 NZ LYS A 22 6.536 3.743 5.285 1.00 0.00 N ATOM 0 H LYS A 22 5.568 -3.672 3.919 1.00 0.00 H new ATOM 0 HA LYS A 22 4.341 -1.282 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.849 -1.212 4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.611 -0.056 3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.401 0.574 4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.840 -0.450 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.673 1.553 6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.094 0.977 5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.637 2.356 3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.012 2.711 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.499 4.562 4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.943 3.928 6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.518 3.584 5.587 1.00 0.00 H new ATOM 351 N ILE A 23 6.992 -3.110 2.145 1.00 0.00 N ATOM 352 CA ILE A 23 7.805 -3.630 1.053 1.00 0.00 C ATOM 353 C ILE A 23 7.331 -5.016 0.627 1.00 0.00 C ATOM 354 O ILE A 23 6.675 -5.723 1.394 1.00 0.00 O ATOM 355 CB ILE A 23 9.292 -3.707 1.445 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.530 -4.873 2.406 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.743 -2.396 2.072 1.00 0.00 C ATOM 358 CD1 ILE A 23 10.267 -6.035 1.777 1.00 0.00 C ATOM 0 H ILE A 23 7.208 -3.509 3.059 1.00 0.00 H new ATOM 0 HA ILE A 23 7.693 -2.937 0.219 1.00 0.00 H new ATOM 0 HB ILE A 23 9.881 -3.878 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.098 -4.515 3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.569 -5.224 2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.796 -2.466 2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.606 -1.585 1.357 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.150 -2.197 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.400 -6.825 2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.690 -6.419 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.242 -5.699 1.425 1.00 0.00 H new ATOM 370 N CYS A 24 7.668 -5.400 -0.599 1.00 0.00 N ATOM 371 CA CYS A 24 7.279 -6.701 -1.128 1.00 0.00 C ATOM 372 C CYS A 24 8.498 -7.472 -1.628 1.00 0.00 C ATOM 373 O CYS A 24 9.373 -6.911 -2.288 1.00 0.00 O ATOM 374 CB CYS A 24 6.268 -6.532 -2.264 1.00 0.00 C ATOM 375 SG CYS A 24 4.917 -5.369 -1.889 1.00 0.00 S ATOM 0 H CYS A 24 8.211 -4.828 -1.246 1.00 0.00 H new ATOM 0 HA CYS A 24 6.817 -7.270 -0.321 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.793 -6.188 -3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.840 -7.505 -2.503 1.00 0.00 H new ATOM 380 N VAL A 25 8.548 -8.761 -1.309 1.00 0.00 N ATOM 381 CA VAL A 25 9.657 -9.610 -1.726 1.00 0.00 C ATOM 382 C VAL A 25 9.154 -10.912 -2.339 1.00 0.00 C ATOM 383 O VAL A 25 8.122 -11.445 -1.931 1.00 0.00 O ATOM 384 CB VAL A 25 10.588 -9.939 -0.543 1.00 0.00 C ATOM 385 CG1 VAL A 25 9.797 -10.544 0.606 1.00 0.00 C ATOM 386 CG2 VAL A 25 11.702 -10.875 -0.987 1.00 0.00 C ATOM 0 H VAL A 25 7.833 -9.241 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 25 10.217 -9.052 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 25 11.042 -9.013 -0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.471 -10.770 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.039 -9.835 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.313 -11.462 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.350 -11.097 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.270 -11.801 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.285 -10.398 -1.775 1.00 0.00 H new ATOM 396 N LYS A 26 9.890 -11.420 -3.322 1.00 0.00 N ATOM 397 CA LYS A 26 9.520 -12.661 -3.992 1.00 0.00 C ATOM 398 C LYS A 26 10.629 -13.700 -3.864 1.00 0.00 C ATOM 399 O LYS A 26 11.813 -13.371 -3.944 1.00 0.00 O ATOM 400 CB LYS A 26 9.222 -12.397 -5.470 1.00 0.00 C ATOM 401 CG LYS A 26 9.090 -13.663 -6.299 1.00 0.00 C ATOM 402 CD LYS A 26 7.725 -14.307 -6.120 1.00 0.00 C ATOM 403 CE LYS A 26 7.253 -14.977 -7.402 1.00 0.00 C ATOM 404 NZ LYS A 26 8.322 -15.810 -8.018 1.00 0.00 N ATOM 0 H LYS A 26 10.747 -10.991 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 26 8.623 -13.051 -3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.299 -11.823 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.018 -11.780 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.247 -13.428 -7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.868 -14.370 -6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.772 -15.044 -5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.002 -13.551 -5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.385 -15.600 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.931 -14.216 -8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.946 -16.290 -8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.120 -15.203 -8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.647 -16.520 -7.332 1.00 0.00 H new ATOM 418 N ARG A 27 10.238 -14.954 -3.665 1.00 0.00 N ATOM 419 CA ARG A 27 11.200 -16.041 -3.526 1.00 0.00 C ATOM 420 C ARG A 27 10.748 -17.271 -4.308 1.00 0.00 C ATOM 421 O ARG A 27 9.604 -17.709 -4.190 1.00 0.00 O ATOM 422 CB ARG A 27 11.384 -16.402 -2.050 1.00 0.00 C ATOM 423 CG ARG A 27 11.489 -15.192 -1.136 1.00 0.00 C ATOM 424 CD ARG A 27 12.105 -15.559 0.205 1.00 0.00 C ATOM 425 NE ARG A 27 11.162 -16.271 1.064 1.00 0.00 N ATOM 426 CZ ARG A 27 10.232 -15.666 1.794 1.00 0.00 C ATOM 427 NH1 ARG A 27 10.121 -14.345 1.771 1.00 0.00 N ATOM 428 NH2 ARG A 27 9.410 -16.383 2.551 1.00 0.00 N ATOM 0 H ARG A 27 9.262 -15.243 -3.596 1.00 0.00 H new ATOM 0 HA ARG A 27 12.153 -15.703 -3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.545 -17.018 -1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.284 -17.008 -1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.093 -14.423 -1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.498 -14.767 -0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.986 -16.179 0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.442 -14.653 0.709 1.00 0.00 H new ATOM 0 HE ARG A 27 11.221 -17.288 1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.751 -13.790 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.406 -13.883 2.333 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.492 -17.399 2.572 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.696 -15.917 3.111 1.00 0.00 H new ATOM 442 N PHE A 28 11.655 -17.822 -5.108 1.00 0.00 N ATOM 443 CA PHE A 28 11.350 -19.000 -5.912 1.00 0.00 C ATOM 444 C PHE A 28 12.587 -19.876 -6.086 1.00 0.00 C ATOM 445 O PHE A 28 13.713 -19.430 -5.860 1.00 0.00 O ATOM 446 CB PHE A 28 10.809 -18.584 -7.281 1.00 0.00 C ATOM 447 CG PHE A 28 11.821 -17.873 -8.134 1.00 0.00 C ATOM 448 CD1 PHE A 28 12.653 -18.586 -8.983 1.00 0.00 C ATOM 449 CD2 PHE A 28 11.939 -16.494 -8.088 1.00 0.00 C ATOM 450 CE1 PHE A 28 13.585 -17.935 -9.768 1.00 0.00 C ATOM 451 CE2 PHE A 28 12.869 -15.837 -8.872 1.00 0.00 C ATOM 452 CZ PHE A 28 13.693 -16.559 -9.714 1.00 0.00 C ATOM 0 H PHE A 28 12.607 -17.472 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 28 10.588 -19.578 -5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.459 -19.471 -7.809 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.945 -17.935 -7.140 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.572 -19.662 -9.031 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.297 -15.925 -7.432 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.229 -18.502 -10.424 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.951 -14.761 -8.826 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.420 -16.049 -10.329 1.00 0.00 H new ATOM 462 N TYR A 29 12.371 -21.122 -6.490 1.00 0.00 N ATOM 463 CA TYR A 29 13.467 -22.062 -6.692 1.00 0.00 C ATOM 464 C TYR A 29 13.277 -22.852 -7.983 1.00 0.00 C ATOM 465 O TYR A 29 12.170 -23.287 -8.301 1.00 0.00 O ATOM 466 CB TYR A 29 13.570 -23.021 -5.505 1.00 0.00 C ATOM 467 CG TYR A 29 14.990 -23.420 -5.170 1.00 0.00 C ATOM 468 CD1 TYR A 29 15.743 -24.185 -6.053 1.00 0.00 C ATOM 469 CD2 TYR A 29 15.578 -23.032 -3.973 1.00 0.00 C ATOM 470 CE1 TYR A 29 17.040 -24.552 -5.751 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.874 -23.394 -3.663 1.00 0.00 C ATOM 472 CZ TYR A 29 17.601 -24.155 -4.555 1.00 0.00 C ATOM 473 OH TYR A 29 18.893 -24.518 -4.251 1.00 0.00 O ATOM 0 H TYR A 29 11.446 -21.505 -6.684 1.00 0.00 H new ATOM 0 HA TYR A 29 14.392 -21.490 -6.770 1.00 0.00 H new ATOM 0 HB2 TYR A 29 13.117 -22.554 -4.631 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.991 -23.919 -5.723 1.00 0.00 H new ATOM 0 HD1 TYR A 29 15.307 -24.498 -6.990 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.012 -22.437 -3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 29 17.612 -25.147 -6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.316 -23.083 -2.728 1.00 0.00 H new ATOM 0 HH TYR A 29 19.411 -24.606 -5.078 1.00 0.00 H new ATOM 483 N ASP A 30 14.365 -23.034 -8.723 1.00 0.00 N ATOM 484 CA ASP A 30 14.320 -23.773 -9.980 1.00 0.00 C ATOM 485 C ASP A 30 15.700 -24.314 -10.341 1.00 0.00 C ATOM 486 O ASP A 30 16.615 -23.553 -10.654 1.00 0.00 O ATOM 487 CB ASP A 30 13.800 -22.877 -11.105 1.00 0.00 C ATOM 488 CG ASP A 30 14.689 -21.672 -11.344 1.00 0.00 C ATOM 489 OD1 ASP A 30 14.816 -20.837 -10.424 1.00 0.00 O ATOM 490 OD2 ASP A 30 15.258 -21.566 -12.450 1.00 0.00 O ATOM 0 H ASP A 30 15.289 -22.680 -8.475 1.00 0.00 H new ATOM 0 HA ASP A 30 13.640 -24.616 -9.854 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.727 -23.459 -12.024 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.793 -22.539 -10.860 1.00 0.00 H new ATOM 495 N LYS A 31 15.842 -25.635 -10.294 1.00 0.00 N ATOM 496 CA LYS A 31 17.110 -26.280 -10.616 1.00 0.00 C ATOM 497 C LYS A 31 16.878 -27.623 -11.300 1.00 0.00 C ATOM 498 O LYS A 31 17.708 -28.527 -11.212 1.00 0.00 O ATOM 499 CB LYS A 31 17.941 -26.479 -9.347 1.00 0.00 C ATOM 500 CG LYS A 31 19.436 -26.556 -9.604 1.00 0.00 C ATOM 501 CD LYS A 31 20.057 -25.173 -9.699 1.00 0.00 C ATOM 502 CE LYS A 31 20.406 -24.623 -8.325 1.00 0.00 C ATOM 503 NZ LYS A 31 21.703 -25.159 -7.825 1.00 0.00 N ATOM 0 H LYS A 31 15.095 -26.279 -10.036 1.00 0.00 H new ATOM 0 HA LYS A 31 17.655 -25.632 -11.302 1.00 0.00 H new ATOM 0 HB2 LYS A 31 17.741 -25.657 -8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.618 -27.395 -8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 31 19.916 -27.117 -8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.619 -27.103 -10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 31 20.956 -25.218 -10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 31 19.364 -24.495 -10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.457 -23.535 -8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 31 19.613 -24.875 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 21.905 -24.760 -6.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 21.647 -26.195 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.464 -24.897 -8.483 1.00 0.00 H new ATOM 574 N TRP A 36 10.199 -26.007 -10.249 1.00 0.00 N ATOM 575 CA TRP A 36 9.936 -24.573 -10.305 1.00 0.00 C ATOM 576 C TRP A 36 8.809 -24.189 -9.352 1.00 0.00 C ATOM 577 O TRP A 36 7.656 -24.569 -9.555 1.00 0.00 O ATOM 578 CB TRP A 36 9.577 -24.155 -11.732 1.00 0.00 C ATOM 579 CG TRP A 36 9.320 -22.685 -11.873 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.189 -22.012 -11.511 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.213 -21.708 -12.418 1.00 0.00 C ATOM 582 NE1 TRP A 36 8.324 -20.675 -11.797 1.00 0.00 N ATOM 583 CE2 TRP A 36 9.558 -20.463 -12.354 1.00 0.00 C ATOM 584 CE3 TRP A 36 11.504 -21.762 -12.952 1.00 0.00 C ATOM 585 CZ2 TRP A 36 10.150 -19.286 -12.804 1.00 0.00 C ATOM 586 CZ3 TRP A 36 12.090 -20.594 -13.399 1.00 0.00 C ATOM 587 CH2 TRP A 36 11.414 -19.369 -13.322 1.00 0.00 C ATOM 0 HA TRP A 36 10.842 -24.050 -9.997 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.388 -24.441 -12.402 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.691 -24.704 -12.052 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.316 -22.464 -11.065 1.00 0.00 H new ATOM 0 HE1 TRP A 36 7.620 -19.957 -11.623 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.034 -22.701 -13.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 9.630 -18.341 -12.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.086 -20.625 -13.815 1.00 0.00 H new ATOM 0 HH2 TRP A 36 11.900 -18.473 -13.678 1.00 0.00 H new ATOM 598 N ARG A 37 9.151 -23.435 -8.312 1.00 0.00 N ATOM 599 CA ARG A 37 8.168 -23.001 -7.327 1.00 0.00 C ATOM 600 C ARG A 37 8.374 -21.534 -6.963 1.00 0.00 C ATOM 601 O ARG A 37 9.476 -21.122 -6.603 1.00 0.00 O ATOM 602 CB ARG A 37 8.258 -23.867 -6.069 1.00 0.00 C ATOM 603 CG ARG A 37 7.727 -25.278 -6.261 1.00 0.00 C ATOM 604 CD ARG A 37 6.221 -25.340 -6.059 1.00 0.00 C ATOM 605 NE ARG A 37 5.853 -25.207 -4.652 1.00 0.00 N ATOM 606 CZ ARG A 37 4.619 -25.390 -4.195 1.00 0.00 C ATOM 607 NH1 ARG A 37 3.640 -25.713 -5.030 1.00 0.00 N ATOM 608 NH2 ARG A 37 4.362 -25.251 -2.901 1.00 0.00 N ATOM 0 H ARG A 37 10.101 -23.112 -8.130 1.00 0.00 H new ATOM 0 HA ARG A 37 7.177 -23.113 -7.767 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.298 -23.920 -5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.701 -23.385 -5.266 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.975 -25.628 -7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.217 -25.951 -5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.745 -24.547 -6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.842 -26.286 -6.445 1.00 0.00 H new ATOM 0 HE ARG A 37 6.583 -24.960 -3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.834 -25.821 -6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.694 -25.853 -4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.112 -25.003 -2.256 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.414 -25.392 -2.551 1.00 0.00 H new ATOM 622 N ALA A 38 7.305 -20.750 -7.061 1.00 0.00 N ATOM 623 CA ALA A 38 7.368 -19.329 -6.741 1.00 0.00 C ATOM 624 C ALA A 38 6.535 -19.008 -5.505 1.00 0.00 C ATOM 625 O ALA A 38 5.552 -19.689 -5.213 1.00 0.00 O ATOM 626 CB ALA A 38 6.898 -18.500 -7.927 1.00 0.00 C ATOM 0 H ALA A 38 6.385 -21.075 -7.359 1.00 0.00 H new ATOM 0 HA ALA A 38 8.406 -19.076 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.950 -17.441 -7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.537 -18.700 -8.787 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.869 -18.764 -8.171 1.00 0.00 H new ATOM 632 N GLN A 39 6.935 -17.967 -4.782 1.00 0.00 N ATOM 633 CA GLN A 39 6.226 -17.557 -3.576 1.00 0.00 C ATOM 634 C GLN A 39 6.586 -16.125 -3.192 1.00 0.00 C ATOM 635 O GLN A 39 7.749 -15.815 -2.935 1.00 0.00 O ATOM 636 CB GLN A 39 6.551 -18.504 -2.420 1.00 0.00 C ATOM 637 CG GLN A 39 5.346 -18.857 -1.564 1.00 0.00 C ATOM 638 CD GLN A 39 5.671 -19.875 -0.489 1.00 0.00 C ATOM 639 OE1 GLN A 39 5.524 -21.080 -0.694 1.00 0.00 O ATOM 640 NE2 GLN A 39 6.115 -19.395 0.667 1.00 0.00 N ATOM 0 H GLN A 39 7.746 -17.392 -5.010 1.00 0.00 H new ATOM 0 HA GLN A 39 5.157 -17.601 -3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.981 -19.421 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.312 -18.045 -1.789 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.960 -17.951 -1.096 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.554 -19.249 -2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.222 -18.389 0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.349 -20.033 1.428 1.00 0.00 H new ATOM 649 N ARG A 40 5.580 -15.257 -3.156 1.00 0.00 N ATOM 650 CA ARG A 40 5.791 -13.857 -2.806 1.00 0.00 C ATOM 651 C ARG A 40 5.198 -13.544 -1.436 1.00 0.00 C ATOM 652 O ARG A 40 4.411 -14.321 -0.896 1.00 0.00 O ATOM 653 CB ARG A 40 5.168 -12.945 -3.864 1.00 0.00 C ATOM 654 CG ARG A 40 5.776 -11.553 -3.902 1.00 0.00 C ATOM 655 CD ARG A 40 5.247 -10.746 -5.078 1.00 0.00 C ATOM 656 NE ARG A 40 6.259 -10.560 -6.114 1.00 0.00 N ATOM 657 CZ ARG A 40 6.354 -11.329 -7.194 1.00 0.00 C ATOM 658 NH1 ARG A 40 5.504 -12.329 -7.377 1.00 0.00 N ATOM 659 NH2 ARG A 40 7.303 -11.097 -8.093 1.00 0.00 N ATOM 0 H ARG A 40 4.611 -15.498 -3.365 1.00 0.00 H new ATOM 0 HA ARG A 40 6.865 -13.676 -2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.282 -13.409 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.098 -12.860 -3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.552 -11.031 -2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.861 -11.630 -3.971 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.381 -11.252 -5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.906 -9.773 -4.725 1.00 0.00 H new ATOM 0 HE ARG A 40 6.929 -9.799 -6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.774 -12.510 -6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.580 -12.917 -8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.959 -10.329 -7.955 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.376 -11.687 -8.922 1.00 0.00 H new ATOM 673 N GLY A 41 5.582 -12.400 -0.878 1.00 0.00 N ATOM 674 CA GLY A 41 5.078 -12.005 0.425 1.00 0.00 C ATOM 675 C GLY A 41 5.426 -10.570 0.770 1.00 0.00 C ATOM 676 O GLY A 41 6.492 -10.076 0.401 1.00 0.00 O ATOM 0 H GLY A 41 6.232 -11.740 -1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.995 -12.128 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.488 -12.668 1.186 1.00 0.00 H new ATOM 680 N CYS A 42 4.524 -9.898 1.477 1.00 0.00 N ATOM 681 CA CYS A 42 4.738 -8.511 1.870 1.00 0.00 C ATOM 682 C CYS A 42 5.249 -8.425 3.305 1.00 0.00 C ATOM 683 O CYS A 42 5.074 -9.353 4.094 1.00 0.00 O ATOM 684 CB CYS A 42 3.440 -7.713 1.731 1.00 0.00 C ATOM 685 SG CYS A 42 3.269 -6.841 0.141 1.00 0.00 S ATOM 0 H CYS A 42 3.637 -10.292 1.790 1.00 0.00 H new ATOM 0 HA CYS A 42 5.492 -8.084 1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.595 -8.390 1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.386 -6.985 2.540 1.00 0.00 H new ATOM 690 N ALA A 43 5.882 -7.303 3.636 1.00 0.00 N ATOM 691 CA ALA A 43 6.417 -7.095 4.976 1.00 0.00 C ATOM 692 C ALA A 43 7.066 -5.720 5.100 1.00 0.00 C ATOM 693 O ALA A 43 6.889 -4.859 4.238 1.00 0.00 O ATOM 694 CB ALA A 43 7.418 -8.187 5.320 1.00 0.00 C ATOM 0 H ALA A 43 6.036 -6.525 2.995 1.00 0.00 H new ATOM 0 HA ALA A 43 5.589 -7.142 5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.809 -8.019 6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.925 -9.158 5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.238 -8.168 4.603 1.00 0.00 H new ATOM 700 N VAL A 44 7.817 -5.521 6.178 1.00 0.00 N ATOM 701 CA VAL A 44 8.493 -4.251 6.415 1.00 0.00 C ATOM 702 C VAL A 44 10.007 -4.431 6.441 1.00 0.00 C ATOM 703 O VAL A 44 10.748 -3.494 6.739 1.00 0.00 O ATOM 704 CB VAL A 44 8.040 -3.612 7.741 1.00 0.00 C ATOM 705 CG1 VAL A 44 6.674 -2.962 7.581 1.00 0.00 C ATOM 706 CG2 VAL A 44 8.017 -4.651 8.852 1.00 0.00 C ATOM 0 H VAL A 44 7.973 -6.223 6.901 1.00 0.00 H new ATOM 0 HA VAL A 44 8.222 -3.590 5.591 1.00 0.00 H new ATOM 0 HB VAL A 44 8.756 -2.837 8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.370 -2.516 8.528 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.727 -2.188 6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.945 -3.716 7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.695 -4.182 9.782 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.324 -5.450 8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.016 -5.066 8.982 1.00 0.00 H new ATOM 716 N SER A 45 10.459 -5.641 6.128 1.00 0.00 N ATOM 717 CA SER A 45 11.885 -5.945 6.119 1.00 0.00 C ATOM 718 C SER A 45 12.208 -7.005 5.070 1.00 0.00 C ATOM 719 O SER A 45 11.332 -7.754 4.638 1.00 0.00 O ATOM 720 CB SER A 45 12.335 -6.425 7.501 1.00 0.00 C ATOM 721 OG SER A 45 13.397 -7.357 7.396 1.00 0.00 O ATOM 0 H SER A 45 9.859 -6.427 5.877 1.00 0.00 H new ATOM 0 HA SER A 45 12.424 -5.032 5.866 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.654 -5.572 8.100 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.494 -6.884 8.022 1.00 0.00 H new ATOM 0 HG SER A 45 13.667 -7.647 8.292 1.00 0.00 H new ATOM 727 N CYS A 46 13.472 -7.061 4.665 1.00 0.00 N ATOM 728 CA CYS A 46 13.914 -8.028 3.667 1.00 0.00 C ATOM 729 C CYS A 46 14.188 -9.385 4.308 1.00 0.00 C ATOM 730 O CYS A 46 14.677 -9.481 5.434 1.00 0.00 O ATOM 731 CB CYS A 46 15.172 -7.523 2.959 1.00 0.00 C ATOM 732 SG CYS A 46 14.838 -6.454 1.522 1.00 0.00 S ATOM 0 H CYS A 46 14.209 -6.448 5.013 1.00 0.00 H new ATOM 0 HA CYS A 46 13.116 -8.147 2.934 1.00 0.00 H new ATOM 0 HB2 CYS A 46 15.782 -6.972 3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.761 -8.380 2.632 1.00 0.00 H new ATOM 737 N PRO A 47 13.866 -10.462 3.575 1.00 0.00 N ATOM 738 CA PRO A 47 14.069 -11.833 4.051 1.00 0.00 C ATOM 739 C PRO A 47 15.546 -12.207 4.130 1.00 0.00 C ATOM 740 O PRO A 47 16.421 -11.353 3.988 1.00 0.00 O ATOM 741 CB PRO A 47 13.358 -12.684 2.996 1.00 0.00 C ATOM 742 CG PRO A 47 13.376 -11.850 1.762 1.00 0.00 C ATOM 743 CD PRO A 47 13.279 -10.423 2.225 1.00 0.00 C ATOM 0 HA PRO A 47 13.686 -11.974 5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 47 13.872 -13.633 2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.338 -12.920 3.299 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.291 -12.014 1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.543 -12.105 1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.828 -9.749 1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.246 -10.077 2.246 1.00 0.00 H new ATOM 751 N LYS A 48 15.816 -13.488 4.357 1.00 0.00 N ATOM 752 CA LYS A 48 17.186 -13.976 4.453 1.00 0.00 C ATOM 753 C LYS A 48 17.337 -15.317 3.743 1.00 0.00 C ATOM 754 O LYS A 48 18.037 -16.209 4.223 1.00 0.00 O ATOM 755 CB LYS A 48 17.599 -14.114 5.921 1.00 0.00 C ATOM 756 CG LYS A 48 16.804 -15.163 6.679 1.00 0.00 C ATOM 757 CD LYS A 48 15.472 -14.614 7.160 1.00 0.00 C ATOM 758 CE LYS A 48 14.978 -15.351 8.396 1.00 0.00 C ATOM 759 NZ LYS A 48 15.675 -14.894 9.630 1.00 0.00 N ATOM 0 H LYS A 48 15.103 -14.207 4.478 1.00 0.00 H new ATOM 0 HA LYS A 48 17.838 -13.251 3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.658 -14.367 5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.478 -13.150 6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.632 -16.026 6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.384 -15.513 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.575 -13.552 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.733 -14.701 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.905 -15.196 8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.134 -16.422 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.310 -15.420 10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.696 -15.065 9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.506 -13.877 9.768 1.00 0.00 H new ATOM 773 N ALA A 49 16.677 -15.453 2.598 1.00 0.00 N ATOM 774 CA ALA A 49 16.741 -16.685 1.821 1.00 0.00 C ATOM 775 C ALA A 49 18.186 -17.118 1.596 1.00 0.00 C ATOM 776 O ALA A 49 19.120 -16.362 1.865 1.00 0.00 O ATOM 777 CB ALA A 49 16.028 -16.505 0.488 1.00 0.00 C ATOM 0 H ALA A 49 16.092 -14.725 2.188 1.00 0.00 H new ATOM 0 HA ALA A 49 16.239 -17.469 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.083 -17.432 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.983 -16.250 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.506 -15.704 -0.075 1.00 0.00 H new ATOM 783 N LYS A 50 18.363 -18.339 1.103 1.00 0.00 N ATOM 784 CA LYS A 50 19.694 -18.873 0.841 1.00 0.00 C ATOM 785 C LYS A 50 20.240 -18.349 -0.483 1.00 0.00 C ATOM 786 O LYS A 50 19.496 -17.900 -1.355 1.00 0.00 O ATOM 787 CB LYS A 50 19.656 -20.403 0.819 1.00 0.00 C ATOM 788 CG LYS A 50 19.725 -21.032 2.200 1.00 0.00 C ATOM 789 CD LYS A 50 21.160 -21.294 2.623 1.00 0.00 C ATOM 790 CE LYS A 50 21.225 -22.024 3.956 1.00 0.00 C ATOM 791 NZ LYS A 50 21.037 -23.492 3.794 1.00 0.00 N ATOM 0 H LYS A 50 17.601 -18.978 0.877 1.00 0.00 H new ATOM 0 HA LYS A 50 20.355 -18.543 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.740 -20.728 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.489 -20.770 0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.246 -20.374 2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.167 -21.969 2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.663 -21.886 1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.696 -20.348 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.188 -21.831 4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.458 -21.631 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.088 -23.953 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.108 -23.678 3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.784 -23.872 3.178 1.00 0.00 H new ATOM 805 N PRO A 51 21.571 -18.407 -0.640 1.00 0.00 N ATOM 806 CA PRO A 51 22.246 -17.944 -1.856 1.00 0.00 C ATOM 807 C PRO A 51 21.967 -18.847 -3.053 1.00 0.00 C ATOM 808 O PRO A 51 22.274 -18.496 -4.191 1.00 0.00 O ATOM 809 CB PRO A 51 23.729 -17.997 -1.481 1.00 0.00 C ATOM 810 CG PRO A 51 23.811 -19.025 -0.406 1.00 0.00 C ATOM 811 CD PRO A 51 22.519 -18.930 0.358 1.00 0.00 C ATOM 0 HA PRO A 51 21.904 -16.955 -2.160 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.345 -18.270 -2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.084 -17.028 -1.130 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.942 -20.021 -0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 51 24.664 -18.840 0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.205 -19.902 0.740 1.00 0.00 H new ATOM 0 HD3 PRO A 51 22.608 -18.264 1.216 1.00 0.00 H new ATOM 819 N ASN A 52 21.382 -20.011 -2.787 1.00 0.00 N ATOM 820 CA ASN A 52 21.062 -20.964 -3.844 1.00 0.00 C ATOM 821 C ASN A 52 19.771 -20.573 -4.556 1.00 0.00 C ATOM 822 O ASN A 52 19.729 -20.489 -5.783 1.00 0.00 O ATOM 823 CB ASN A 52 20.931 -22.374 -3.264 1.00 0.00 C ATOM 824 CG ASN A 52 22.229 -22.873 -2.659 1.00 0.00 C ATOM 825 OD1 ASN A 52 23.003 -23.572 -3.313 1.00 0.00 O ATOM 826 ND2 ASN A 52 22.473 -22.516 -1.404 1.00 0.00 N ATOM 0 H ASN A 52 21.120 -20.317 -1.850 1.00 0.00 H new ATOM 0 HA ASN A 52 21.875 -20.951 -4.570 1.00 0.00 H new ATOM 0 HB2 ASN A 52 20.152 -22.379 -2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 52 20.613 -23.059 -4.050 1.00 0.00 H new ATOM 0 HD21 ASN A 52 23.330 -22.822 -0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.803 -21.935 -0.900 1.00 0.00 H new ATOM 833 N GLU A 53 18.720 -20.335 -3.777 1.00 0.00 N ATOM 834 CA GLU A 53 17.428 -19.953 -4.334 1.00 0.00 C ATOM 835 C GLU A 53 17.484 -18.547 -4.924 1.00 0.00 C ATOM 836 O GLU A 53 18.559 -17.961 -5.065 1.00 0.00 O ATOM 837 CB GLU A 53 16.343 -20.023 -3.258 1.00 0.00 C ATOM 838 CG GLU A 53 16.403 -18.882 -2.257 1.00 0.00 C ATOM 839 CD GLU A 53 15.657 -19.191 -0.974 1.00 0.00 C ATOM 840 OE1 GLU A 53 14.446 -18.895 -0.905 1.00 0.00 O ATOM 841 OE2 GLU A 53 16.284 -19.730 -0.039 1.00 0.00 O ATOM 0 H GLU A 53 18.738 -20.400 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 53 17.184 -20.654 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.365 -20.021 -3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.434 -20.969 -2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.445 -18.663 -2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.983 -17.984 -2.710 1.00 0.00 H new ATOM 848 N THR A 54 16.318 -18.009 -5.269 1.00 0.00 N ATOM 849 CA THR A 54 16.233 -16.673 -5.846 1.00 0.00 C ATOM 850 C THR A 54 15.263 -15.797 -5.062 1.00 0.00 C ATOM 851 O THR A 54 14.048 -15.984 -5.129 1.00 0.00 O ATOM 852 CB THR A 54 15.785 -16.724 -7.319 1.00 0.00 C ATOM 853 OG1 THR A 54 16.391 -17.843 -7.976 1.00 0.00 O ATOM 854 CG2 THR A 54 16.160 -15.440 -8.043 1.00 0.00 C ATOM 0 H THR A 54 15.419 -18.478 -5.159 1.00 0.00 H new ATOM 0 HA THR A 54 17.233 -16.242 -5.793 1.00 0.00 H new ATOM 0 HB THR A 54 14.701 -16.832 -7.343 1.00 0.00 H new ATOM 0 HG1 THR A 54 15.782 -18.189 -8.661 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.834 -15.499 -9.081 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.674 -14.593 -7.558 1.00 0.00 H new ATOM 0 HG23 THR A 54 17.241 -15.306 -8.010 1.00 0.00 H new ATOM 862 N VAL A 55 15.807 -14.839 -4.318 1.00 0.00 N ATOM 863 CA VAL A 55 14.989 -13.932 -3.522 1.00 0.00 C ATOM 864 C VAL A 55 15.292 -12.477 -3.861 1.00 0.00 C ATOM 865 O VAL A 55 16.451 -12.064 -3.883 1.00 0.00 O ATOM 866 CB VAL A 55 15.211 -14.153 -2.014 1.00 0.00 C ATOM 867 CG1 VAL A 55 16.681 -13.983 -1.660 1.00 0.00 C ATOM 868 CG2 VAL A 55 14.346 -13.200 -1.203 1.00 0.00 C ATOM 0 H VAL A 55 16.811 -14.671 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 55 13.949 -14.149 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 55 14.918 -15.173 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 55 16.819 -14.143 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 55 17.275 -14.709 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 55 17.004 -12.975 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 55 14.516 -13.370 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.606 -12.171 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 55 13.296 -13.375 -1.435 1.00 0.00 H new ATOM 878 N GLN A 56 14.242 -11.705 -4.125 1.00 0.00 N ATOM 879 CA GLN A 56 14.397 -10.296 -4.464 1.00 0.00 C ATOM 880 C GLN A 56 13.350 -9.446 -3.752 1.00 0.00 C ATOM 881 O GLN A 56 12.152 -9.577 -4.006 1.00 0.00 O ATOM 882 CB GLN A 56 14.289 -10.098 -5.977 1.00 0.00 C ATOM 883 CG GLN A 56 15.075 -11.120 -6.782 1.00 0.00 C ATOM 884 CD GLN A 56 14.193 -12.205 -7.367 1.00 0.00 C ATOM 885 OE1 GLN A 56 13.452 -11.972 -8.322 1.00 0.00 O ATOM 886 NE2 GLN A 56 14.269 -13.402 -6.797 1.00 0.00 N ATOM 0 H GLN A 56 13.276 -12.032 -4.110 1.00 0.00 H new ATOM 0 HA GLN A 56 15.385 -9.976 -4.133 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.240 -10.148 -6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 56 14.642 -9.099 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.604 -10.613 -7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.831 -11.577 -6.143 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.897 -13.552 -6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.700 -14.172 -7.149 1.00 0.00 H new ATOM 895 N CYS A 57 13.808 -8.576 -2.859 1.00 0.00 N ATOM 896 CA CYS A 57 12.911 -7.706 -2.108 1.00 0.00 C ATOM 897 C CYS A 57 13.010 -6.266 -2.604 1.00 0.00 C ATOM 898 O CYS A 57 14.106 -5.729 -2.773 1.00 0.00 O ATOM 899 CB CYS A 57 13.239 -7.766 -0.615 1.00 0.00 C ATOM 900 SG CYS A 57 14.974 -7.376 -0.218 1.00 0.00 S ATOM 0 H CYS A 57 14.796 -8.454 -2.637 1.00 0.00 H new ATOM 0 HA CYS A 57 11.891 -8.057 -2.263 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.591 -7.070 -0.083 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.008 -8.764 -0.243 1.00 0.00 H new ATOM 905 N CYS A 58 11.858 -5.645 -2.835 1.00 0.00 N ATOM 906 CA CYS A 58 11.813 -4.268 -3.312 1.00 0.00 C ATOM 907 C CYS A 58 10.858 -3.431 -2.466 1.00 0.00 C ATOM 908 O CYS A 58 10.017 -3.968 -1.745 1.00 0.00 O ATOM 909 CB CYS A 58 11.381 -4.228 -4.779 1.00 0.00 C ATOM 910 SG CYS A 58 12.051 -2.814 -5.713 1.00 0.00 S ATOM 0 H CYS A 58 10.943 -6.074 -2.699 1.00 0.00 H new ATOM 0 HA CYS A 58 12.814 -3.846 -3.224 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.695 -5.152 -5.264 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.292 -4.197 -4.825 1.00 0.00 H new ATOM 915 N SER A 59 10.993 -2.112 -2.561 1.00 0.00 N ATOM 916 CA SER A 59 10.145 -1.200 -1.803 1.00 0.00 C ATOM 917 C SER A 59 9.751 0.007 -2.649 1.00 0.00 C ATOM 918 O SER A 59 9.583 1.113 -2.134 1.00 0.00 O ATOM 919 CB SER A 59 10.864 -0.736 -0.535 1.00 0.00 C ATOM 920 OG SER A 59 10.023 0.083 0.258 1.00 0.00 O ATOM 0 H SER A 59 11.682 -1.651 -3.156 1.00 0.00 H new ATOM 0 HA SER A 59 9.238 -1.736 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.183 -1.603 0.044 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.764 -0.184 -0.805 1.00 0.00 H new ATOM 0 HG SER A 59 9.571 0.738 -0.314 1.00 0.00 H new ATOM 926 N THR A 60 9.606 -0.214 -3.952 1.00 0.00 N ATOM 927 CA THR A 60 9.234 0.854 -4.871 1.00 0.00 C ATOM 928 C THR A 60 7.940 0.522 -5.605 1.00 0.00 C ATOM 929 O THR A 60 7.621 -0.647 -5.821 1.00 0.00 O ATOM 930 CB THR A 60 10.345 1.117 -5.905 1.00 0.00 C ATOM 931 OG1 THR A 60 11.441 0.223 -5.685 1.00 0.00 O ATOM 932 CG2 THR A 60 10.833 2.556 -5.821 1.00 0.00 C ATOM 0 H THR A 60 9.741 -1.123 -4.394 1.00 0.00 H new ATOM 0 HA THR A 60 9.087 1.751 -4.270 1.00 0.00 H new ATOM 0 HB THR A 60 9.932 0.947 -6.900 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.136 -0.702 -5.797 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.617 2.718 -6.560 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.003 3.234 -6.018 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.229 2.748 -4.824 1.00 0.00 H new ATOM 940 N ASP A 61 7.200 1.557 -5.987 1.00 0.00 N ATOM 941 CA ASP A 61 5.941 1.374 -6.699 1.00 0.00 C ATOM 942 C ASP A 61 6.184 0.822 -8.101 1.00 0.00 C ATOM 943 O ASP A 61 7.003 1.349 -8.854 1.00 0.00 O ATOM 944 CB ASP A 61 5.182 2.700 -6.785 1.00 0.00 C ATOM 945 CG ASP A 61 5.960 3.765 -7.532 1.00 0.00 C ATOM 946 OD1 ASP A 61 6.845 4.395 -6.916 1.00 0.00 O ATOM 947 OD2 ASP A 61 5.684 3.969 -8.732 1.00 0.00 O ATOM 0 H ASP A 61 7.450 2.531 -5.816 1.00 0.00 H new ATOM 0 HA ASP A 61 5.340 0.654 -6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.226 2.536 -7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.961 3.055 -5.778 1.00 0.00 H new ATOM 952 N LYS A 62 5.468 -0.243 -8.443 1.00 0.00 N ATOM 953 CA LYS A 62 5.604 -0.868 -9.754 1.00 0.00 C ATOM 954 C LYS A 62 7.001 -1.454 -9.934 1.00 0.00 C ATOM 955 O LYS A 62 7.488 -1.590 -11.057 1.00 0.00 O ATOM 956 CB LYS A 62 5.321 0.151 -10.860 1.00 0.00 C ATOM 957 CG LYS A 62 4.089 1.001 -10.602 1.00 0.00 C ATOM 958 CD LYS A 62 2.822 0.161 -10.598 1.00 0.00 C ATOM 959 CE LYS A 62 2.351 -0.143 -12.011 1.00 0.00 C ATOM 960 NZ LYS A 62 1.840 1.074 -12.700 1.00 0.00 N ATOM 0 H LYS A 62 4.787 -0.692 -7.831 1.00 0.00 H new ATOM 0 HA LYS A 62 4.877 -1.678 -9.820 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.186 0.804 -10.971 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.197 -0.377 -11.806 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.192 1.511 -9.644 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.012 1.773 -11.367 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.005 -0.772 -10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.036 0.688 -10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.175 -0.566 -12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.565 -0.898 -11.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.260 0.793 -13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.261 1.630 -12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.642 1.650 -13.027 1.00 0.00 H new ATOM 974 N CYS A 63 7.640 -1.802 -8.822 1.00 0.00 N ATOM 975 CA CYS A 63 8.980 -2.374 -8.856 1.00 0.00 C ATOM 976 C CYS A 63 8.926 -3.894 -8.733 1.00 0.00 C ATOM 977 O CYS A 63 9.502 -4.615 -9.547 1.00 0.00 O ATOM 978 CB CYS A 63 9.836 -1.790 -7.731 1.00 0.00 C ATOM 979 SG CYS A 63 11.445 -2.617 -7.515 1.00 0.00 S ATOM 0 H CYS A 63 7.250 -1.697 -7.885 1.00 0.00 H new ATOM 0 HA CYS A 63 9.432 -2.121 -9.815 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.007 -0.732 -7.931 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.279 -1.852 -6.796 1.00 0.00 H new ATOM 984 N ASN A 64 8.228 -4.374 -7.708 1.00 0.00 N ATOM 985 CA ASN A 64 8.098 -5.808 -7.477 1.00 0.00 C ATOM 986 C ASN A 64 7.646 -6.525 -8.745 1.00 0.00 C ATOM 987 O ASN A 64 6.499 -6.390 -9.173 1.00 0.00 O ATOM 988 CB ASN A 64 7.104 -6.075 -6.345 1.00 0.00 C ATOM 989 CG ASN A 64 7.498 -7.272 -5.500 1.00 0.00 C ATOM 990 OD1 ASN A 64 8.681 -7.576 -5.348 1.00 0.00 O ATOM 991 ND2 ASN A 64 6.504 -7.957 -4.947 1.00 0.00 N ATOM 0 H ASN A 64 7.744 -3.791 -7.025 1.00 0.00 H new ATOM 0 HA ASN A 64 9.076 -6.195 -7.192 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.035 -5.192 -5.710 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.113 -6.242 -6.767 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.706 -8.772 -4.368 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.538 -7.668 -5.101 1.00 0.00 H new ATOM 998 N LYS A 65 8.555 -7.288 -9.343 1.00 0.00 N ATOM 999 CA LYS A 65 8.250 -8.028 -10.562 1.00 0.00 C ATOM 1000 C LYS A 65 7.170 -9.075 -10.308 1.00 0.00 C ATOM 1001 O LYS A 65 6.915 -9.935 -11.151 1.00 0.00 O ATOM 1002 CB LYS A 65 9.513 -8.704 -11.102 1.00 0.00 C ATOM 1003 CG LYS A 65 10.677 -7.748 -11.299 1.00 0.00 C ATOM 1004 CD LYS A 65 10.527 -6.944 -12.580 1.00 0.00 C ATOM 1005 CE LYS A 65 10.253 -5.477 -12.288 1.00 0.00 C ATOM 1006 NZ LYS A 65 10.722 -4.594 -13.392 1.00 0.00 N ATOM 0 H LYS A 65 9.509 -7.410 -9.003 1.00 0.00 H new ATOM 0 HA LYS A 65 7.878 -7.320 -11.303 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.815 -9.494 -10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.281 -9.182 -12.054 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.740 -7.070 -10.448 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.610 -8.311 -11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.435 -7.034 -13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.713 -7.356 -13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.184 -5.331 -12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.749 -5.193 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.517 -3.602 -13.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.747 -4.714 -13.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.230 -4.848 -14.272 1.00 0.00 H new