USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 396 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 11 TYR OH : rot -90:sc= -3.63! USER MOD Set 1.2: A 17 THR OG1 : rot 180:sc= -0.284 USER MOD Set 1.3: A 33 ASN : amide:sc= -1.46 K(o=-5,f=-7.2!) USER MOD Set 1.4: A 34 LYS NZ :NH3+ -169:sc= 0.263 (180deg=0) USER MOD Set 1.5: A 36 ASN : amide:sc= 0.132 X(o=-5,f=-5.4) USER MOD Single : A 1 LEU N :NH3+ 164:sc= 0 (180deg=-0.141) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 24:sc= 0.68! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 130:sc= -1.45 USER MOD Single : A 26 SER OG : rot 179:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.819 X(o=-0.82,f=-1.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 148:sc= -1.07 USER MOD Single : A 31 TYR OH : rot 180:sc= -3.75! USER MOD Single : A 39 ASN : amide:sc= -6.55! C(o=-6.6!,f=-13!) USER MOD Single : A 44 SER OG : rot -61:sc= -1 USER MOD Single : A 45 ASN : amide:sc= -9.47! C(o=-9.5!,f=-13!) USER MOD Single : A 47 THR OG1 : rot -33:sc= 0.124 USER MOD Single : A 49 THR OG1 : rot -77:sc= 0.674 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -12.7! C(o=-13!,f=-17!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 10.103 11.870 -7.556 1.00 0.00 N ATOM 2 CA LEU A 1 9.190 10.850 -6.968 1.00 0.00 C ATOM 3 C LEU A 1 9.641 10.523 -5.542 1.00 0.00 C ATOM 4 O LEU A 1 9.982 9.399 -5.231 1.00 0.00 O ATOM 5 CB LEU A 1 9.227 9.579 -7.820 1.00 0.00 C ATOM 6 CG LEU A 1 10.635 8.985 -7.792 1.00 0.00 C ATOM 7 CD1 LEU A 1 10.552 7.488 -7.489 1.00 0.00 C ATOM 8 CD2 LEU A 1 11.301 9.189 -9.155 1.00 0.00 C ATOM 0 H1 LEU A 1 9.976 11.896 -8.588 1.00 0.00 H new ATOM 0 H2 LEU A 1 9.883 12.805 -7.156 1.00 0.00 H new ATOM 0 H3 LEU A 1 11.089 11.622 -7.335 1.00 0.00 H new ATOM 0 HA LEU A 1 8.173 11.242 -6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 1 8.507 8.853 -7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 1 8.938 9.808 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 1 11.222 9.481 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.556 7.065 -7.469 1.00 0.00 H new ATOM 0 HD12 LEU A 1 10.076 7.339 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.965 6.992 -8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 1 12.305 8.766 -9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.712 8.692 -9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.361 10.255 -9.375 1.00 0.00 H new ATOM 22 N ALA A 2 9.648 11.499 -4.676 1.00 0.00 N ATOM 23 CA ALA A 2 10.077 11.245 -3.273 1.00 0.00 C ATOM 24 C ALA A 2 8.936 11.609 -2.319 1.00 0.00 C ATOM 25 O ALA A 2 7.773 11.466 -2.645 1.00 0.00 O ATOM 26 CB ALA A 2 11.303 12.104 -2.954 1.00 0.00 C ATOM 0 H ALA A 2 9.375 12.461 -4.880 1.00 0.00 H new ATOM 0 HA ALA A 2 10.329 10.191 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.619 11.920 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.114 11.847 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.050 13.158 -3.072 1.00 0.00 H new ATOM 32 N ALA A 3 9.256 12.079 -1.145 1.00 0.00 N ATOM 33 CA ALA A 3 8.187 12.452 -0.175 1.00 0.00 C ATOM 34 C ALA A 3 7.477 11.189 0.318 1.00 0.00 C ATOM 35 O ALA A 3 7.977 10.090 0.181 1.00 0.00 O ATOM 36 CB ALA A 3 7.174 13.368 -0.863 1.00 0.00 C ATOM 0 H ALA A 3 10.211 12.221 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 3 8.633 12.971 0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.392 13.642 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.678 14.269 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.730 12.847 -1.711 1.00 0.00 H new ATOM 42 N VAL A 4 6.314 11.338 0.895 1.00 0.00 N ATOM 43 CA VAL A 4 5.570 10.148 1.400 1.00 0.00 C ATOM 44 C VAL A 4 4.752 9.532 0.263 1.00 0.00 C ATOM 45 O VAL A 4 3.564 9.757 0.149 1.00 0.00 O ATOM 46 CB VAL A 4 4.632 10.577 2.530 1.00 0.00 C ATOM 47 CG1 VAL A 4 3.780 9.386 2.968 1.00 0.00 C ATOM 48 CG2 VAL A 4 5.461 11.074 3.717 1.00 0.00 C ATOM 0 H VAL A 4 5.847 12.233 1.038 1.00 0.00 H new ATOM 0 HA VAL A 4 6.279 9.410 1.775 1.00 0.00 H new ATOM 0 HB VAL A 4 3.981 11.378 2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.112 9.693 3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.190 9.030 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.429 8.584 3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.795 11.380 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.111 10.272 4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.069 11.924 3.406 1.00 0.00 H new ATOM 58 N SER A 5 5.378 8.753 -0.576 1.00 0.00 N ATOM 59 CA SER A 5 4.639 8.120 -1.704 1.00 0.00 C ATOM 60 C SER A 5 5.184 6.709 -1.938 1.00 0.00 C ATOM 61 O SER A 5 6.360 6.521 -2.182 1.00 0.00 O ATOM 62 CB SER A 5 4.824 8.959 -2.969 1.00 0.00 C ATOM 63 OG SER A 5 4.861 8.100 -4.100 1.00 0.00 O ATOM 0 H SER A 5 6.372 8.527 -0.529 1.00 0.00 H new ATOM 0 HA SER A 5 3.578 8.064 -1.461 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.007 9.674 -3.068 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.747 9.536 -2.905 1.00 0.00 H new ATOM 0 HG SER A 5 4.978 8.634 -4.913 1.00 0.00 H new ATOM 69 N VAL A 6 4.342 5.714 -1.862 1.00 0.00 N ATOM 70 CA VAL A 6 4.816 4.317 -2.076 1.00 0.00 C ATOM 71 C VAL A 6 4.659 3.936 -3.552 1.00 0.00 C ATOM 72 O VAL A 6 3.820 4.467 -4.253 1.00 0.00 O ATOM 73 CB VAL A 6 3.989 3.360 -1.215 1.00 0.00 C ATOM 74 CG1 VAL A 6 4.754 2.048 -1.029 1.00 0.00 C ATOM 75 CG2 VAL A 6 3.732 3.997 0.154 1.00 0.00 C ATOM 0 H VAL A 6 3.346 5.808 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 6 5.867 4.248 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 6 3.038 3.160 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.164 1.367 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.938 1.593 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.706 2.248 -0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.143 3.315 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.684 4.198 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.186 4.932 0.024 1.00 0.00 H new ATOM 85 N ASP A 7 5.456 3.014 -4.029 1.00 0.00 N ATOM 86 CA ASP A 7 5.347 2.596 -5.458 1.00 0.00 C ATOM 87 C ASP A 7 4.054 1.803 -5.654 1.00 0.00 C ATOM 88 O ASP A 7 3.512 1.245 -4.720 1.00 0.00 O ATOM 89 CB ASP A 7 6.546 1.718 -5.828 1.00 0.00 C ATOM 90 CG ASP A 7 6.578 1.514 -7.344 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.360 2.479 -8.058 1.00 0.00 O ATOM 92 OD2 ASP A 7 6.817 0.394 -7.766 1.00 0.00 O ATOM 0 H ASP A 7 6.177 2.533 -3.491 1.00 0.00 H new ATOM 0 HA ASP A 7 5.336 3.479 -6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.471 2.187 -5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.476 0.755 -5.322 1.00 0.00 H new ATOM 97 N CYS A 8 3.546 1.754 -6.856 1.00 0.00 N ATOM 98 CA CYS A 8 2.281 1.002 -7.090 1.00 0.00 C ATOM 99 C CYS A 8 2.132 0.681 -8.580 1.00 0.00 C ATOM 100 O CYS A 8 1.040 0.493 -9.079 1.00 0.00 O ATOM 101 CB CYS A 8 1.112 1.873 -6.616 1.00 0.00 C ATOM 102 SG CYS A 8 -0.423 0.917 -6.543 1.00 0.00 S ATOM 0 H CYS A 8 3.949 2.199 -7.680 1.00 0.00 H new ATOM 0 HA CYS A 8 2.293 0.062 -6.538 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.336 2.283 -5.631 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.986 2.718 -7.293 1.00 0.00 H new ATOM 107 N SER A 9 3.223 0.621 -9.295 1.00 0.00 N ATOM 108 CA SER A 9 3.145 0.318 -10.754 1.00 0.00 C ATOM 109 C SER A 9 3.257 -1.194 -10.989 1.00 0.00 C ATOM 110 O SER A 9 3.139 -1.662 -12.105 1.00 0.00 O ATOM 111 CB SER A 9 4.286 1.030 -11.480 1.00 0.00 C ATOM 112 OG SER A 9 4.762 0.204 -12.535 1.00 0.00 O ATOM 0 H SER A 9 4.165 0.769 -8.932 1.00 0.00 H new ATOM 0 HA SER A 9 2.186 0.666 -11.138 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.940 1.984 -11.878 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.094 1.250 -10.783 1.00 0.00 H new ATOM 0 HG SER A 9 4.054 -0.414 -12.812 1.00 0.00 H new ATOM 118 N GLU A 10 3.493 -1.963 -9.961 1.00 0.00 N ATOM 119 CA GLU A 10 3.619 -3.438 -10.154 1.00 0.00 C ATOM 120 C GLU A 10 2.441 -4.160 -9.496 1.00 0.00 C ATOM 121 O GLU A 10 2.592 -5.229 -8.938 1.00 0.00 O ATOM 122 CB GLU A 10 4.926 -3.925 -9.522 1.00 0.00 C ATOM 123 CG GLU A 10 6.078 -3.022 -9.966 1.00 0.00 C ATOM 124 CD GLU A 10 6.646 -2.284 -8.753 1.00 0.00 C ATOM 125 OE1 GLU A 10 5.873 -1.962 -7.865 1.00 0.00 O ATOM 126 OE2 GLU A 10 7.843 -2.054 -8.732 1.00 0.00 O ATOM 0 H GLU A 10 3.604 -1.637 -9.001 1.00 0.00 H new ATOM 0 HA GLU A 10 3.620 -3.656 -11.222 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.842 -3.916 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.123 -4.955 -9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.858 -3.617 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.727 -2.306 -10.709 1.00 0.00 H new ATOM 133 N TYR A 11 1.268 -3.591 -9.552 1.00 0.00 N ATOM 134 CA TYR A 11 0.098 -4.239 -8.935 1.00 0.00 C ATOM 135 C TYR A 11 -1.096 -4.129 -9.899 1.00 0.00 C ATOM 136 O TYR A 11 -1.094 -3.301 -10.789 1.00 0.00 O ATOM 137 CB TYR A 11 -0.174 -3.543 -7.607 1.00 0.00 C ATOM 138 CG TYR A 11 1.017 -3.789 -6.702 1.00 0.00 C ATOM 139 CD1 TYR A 11 2.108 -2.905 -6.710 1.00 0.00 C ATOM 140 CD2 TYR A 11 1.044 -4.917 -5.873 1.00 0.00 C ATOM 141 CE1 TYR A 11 3.214 -3.147 -5.888 1.00 0.00 C ATOM 142 CE2 TYR A 11 2.154 -5.161 -5.056 1.00 0.00 C ATOM 143 CZ TYR A 11 3.238 -4.276 -5.062 1.00 0.00 C ATOM 144 OH TYR A 11 4.333 -4.518 -4.259 1.00 0.00 O ATOM 0 H TYR A 11 1.078 -2.697 -10.005 1.00 0.00 H new ATOM 0 HA TYR A 11 0.273 -5.298 -8.745 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.323 -2.474 -7.760 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.086 -3.931 -7.152 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.093 -2.037 -7.352 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.207 -5.600 -5.864 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.049 -2.462 -5.891 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.174 -6.034 -4.420 1.00 0.00 H new ATOM 0 HH TYR A 11 4.983 -5.065 -4.748 1.00 0.00 H new ATOM 154 N PRO A 12 -2.051 -5.007 -9.730 1.00 0.00 N ATOM 155 CA PRO A 12 -2.033 -5.999 -8.645 1.00 0.00 C ATOM 156 C PRO A 12 -0.986 -7.088 -8.896 1.00 0.00 C ATOM 157 O PRO A 12 -0.735 -7.486 -10.016 1.00 0.00 O ATOM 158 CB PRO A 12 -3.446 -6.591 -8.672 1.00 0.00 C ATOM 159 CG PRO A 12 -3.989 -6.337 -10.099 1.00 0.00 C ATOM 160 CD PRO A 12 -3.211 -5.124 -10.638 1.00 0.00 C ATOM 0 HA PRO A 12 -1.771 -5.557 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.426 -7.657 -8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.081 -6.118 -7.923 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.840 -7.210 -10.734 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.060 -6.136 -10.079 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.895 -5.279 -11.670 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.821 -4.221 -10.624 1.00 0.00 H new ATOM 168 N LYS A 13 -0.373 -7.567 -7.846 1.00 0.00 N ATOM 169 CA LYS A 13 0.664 -8.625 -7.995 1.00 0.00 C ATOM 170 C LYS A 13 0.107 -9.953 -7.476 1.00 0.00 C ATOM 171 O LYS A 13 -0.652 -9.974 -6.527 1.00 0.00 O ATOM 172 CB LYS A 13 1.896 -8.235 -7.176 1.00 0.00 C ATOM 173 CG LYS A 13 3.145 -8.298 -8.057 1.00 0.00 C ATOM 174 CD LYS A 13 4.274 -8.992 -7.290 1.00 0.00 C ATOM 175 CE LYS A 13 5.622 -8.427 -7.741 1.00 0.00 C ATOM 176 NZ LYS A 13 6.266 -7.712 -6.602 1.00 0.00 N ATOM 0 H LYS A 13 -0.548 -7.268 -6.887 1.00 0.00 H new ATOM 0 HA LYS A 13 0.939 -8.730 -9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.773 -7.229 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.006 -8.907 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.928 -8.841 -8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.451 -7.292 -8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.145 -8.842 -6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.241 -10.067 -7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.268 -9.233 -8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.481 -7.745 -8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.183 -7.327 -6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.651 -6.934 -6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.414 -8.375 -5.815 1.00 0.00 H new ATOM 190 N PRO A 14 0.498 -11.027 -8.117 1.00 0.00 N ATOM 191 CA PRO A 14 0.051 -12.386 -7.748 1.00 0.00 C ATOM 192 C PRO A 14 0.823 -12.905 -6.533 1.00 0.00 C ATOM 193 O PRO A 14 0.801 -14.080 -6.226 1.00 0.00 O ATOM 194 CB PRO A 14 0.374 -13.215 -8.991 1.00 0.00 C ATOM 195 CG PRO A 14 1.480 -12.447 -9.750 1.00 0.00 C ATOM 196 CD PRO A 14 1.406 -10.985 -9.283 1.00 0.00 C ATOM 0 HA PRO A 14 -1.002 -12.426 -7.470 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.713 -14.213 -8.715 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.511 -13.340 -9.615 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.461 -12.872 -9.537 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.329 -12.517 -10.827 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.390 -10.603 -9.009 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.019 -10.335 -10.067 1.00 0.00 H new ATOM 204 N ALA A 15 1.500 -12.038 -5.842 1.00 0.00 N ATOM 205 CA ALA A 15 2.272 -12.468 -4.642 1.00 0.00 C ATOM 206 C ALA A 15 2.566 -11.246 -3.771 1.00 0.00 C ATOM 207 O ALA A 15 3.239 -10.323 -4.187 1.00 0.00 O ATOM 208 CB ALA A 15 3.589 -13.110 -5.083 1.00 0.00 C ATOM 0 H ALA A 15 1.554 -11.042 -6.056 1.00 0.00 H new ATOM 0 HA ALA A 15 1.691 -13.194 -4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.153 -13.424 -4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.379 -13.977 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.174 -12.386 -5.650 1.00 0.00 H new ATOM 214 N CYS A 16 2.062 -11.227 -2.568 1.00 0.00 N ATOM 215 CA CYS A 16 2.310 -10.057 -1.679 1.00 0.00 C ATOM 216 C CYS A 16 3.389 -10.402 -0.656 1.00 0.00 C ATOM 217 O CYS A 16 3.420 -11.487 -0.111 1.00 0.00 O ATOM 218 CB CYS A 16 1.020 -9.689 -0.945 1.00 0.00 C ATOM 219 SG CYS A 16 -0.194 -9.095 -2.143 1.00 0.00 S ATOM 0 H CYS A 16 1.491 -11.969 -2.163 1.00 0.00 H new ATOM 0 HA CYS A 16 2.642 -9.214 -2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.630 -10.557 -0.413 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.219 -8.920 -0.198 1.00 0.00 H new ATOM 224 N THR A 17 4.268 -9.479 -0.382 1.00 0.00 N ATOM 225 CA THR A 17 5.339 -9.746 0.616 1.00 0.00 C ATOM 226 C THR A 17 4.710 -10.416 1.835 1.00 0.00 C ATOM 227 O THR A 17 3.603 -10.099 2.221 1.00 0.00 O ATOM 228 CB THR A 17 5.984 -8.425 1.038 1.00 0.00 C ATOM 229 OG1 THR A 17 5.023 -7.383 0.952 1.00 0.00 O ATOM 230 CG2 THR A 17 7.162 -8.112 0.115 1.00 0.00 C ATOM 0 H THR A 17 4.291 -8.552 -0.806 1.00 0.00 H new ATOM 0 HA THR A 17 6.101 -10.394 0.183 1.00 0.00 H new ATOM 0 HB THR A 17 6.342 -8.507 2.064 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.434 -6.536 1.224 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.621 -7.170 0.417 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.899 -8.912 0.182 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.807 -8.030 -0.912 1.00 0.00 H new ATOM 238 N LEU A 18 5.390 -11.346 2.442 1.00 0.00 N ATOM 239 CA LEU A 18 4.796 -12.023 3.625 1.00 0.00 C ATOM 240 C LEU A 18 5.221 -11.302 4.903 1.00 0.00 C ATOM 241 O LEU A 18 4.554 -11.381 5.915 1.00 0.00 O ATOM 242 CB LEU A 18 5.258 -13.480 3.679 1.00 0.00 C ATOM 243 CG LEU A 18 5.417 -14.025 2.259 1.00 0.00 C ATOM 244 CD1 LEU A 18 6.901 -14.256 1.968 1.00 0.00 C ATOM 245 CD2 LEU A 18 4.661 -15.351 2.135 1.00 0.00 C ATOM 0 H LEU A 18 6.321 -11.664 2.174 1.00 0.00 H new ATOM 0 HA LEU A 18 3.710 -11.995 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.205 -13.551 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.534 -14.081 4.230 1.00 0.00 H new ATOM 0 HG LEU A 18 5.012 -13.308 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.017 -14.645 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.441 -13.313 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.304 -14.975 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.773 -15.741 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.067 -16.069 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.604 -15.188 2.346 1.00 0.00 H new ATOM 257 N GLU A 19 6.313 -10.583 4.874 1.00 0.00 N ATOM 258 CA GLU A 19 6.737 -9.859 6.090 1.00 0.00 C ATOM 259 C GLU A 19 5.601 -8.941 6.496 1.00 0.00 C ATOM 260 O GLU A 19 4.493 -9.060 6.010 1.00 0.00 O ATOM 261 CB GLU A 19 8.007 -9.045 5.800 1.00 0.00 C ATOM 262 CG GLU A 19 7.689 -7.868 4.871 1.00 0.00 C ATOM 263 CD GLU A 19 8.171 -8.189 3.456 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.490 -9.340 3.207 1.00 0.00 O ATOM 265 OE2 GLU A 19 8.213 -7.279 2.645 1.00 0.00 O ATOM 0 H GLU A 19 6.921 -10.471 4.062 1.00 0.00 H new ATOM 0 HA GLU A 19 6.964 -10.558 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.430 -8.675 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.760 -9.686 5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.616 -7.675 4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.174 -6.962 5.235 1.00 0.00 H new ATOM 272 N TYR A 20 5.847 -8.032 7.371 1.00 0.00 N ATOM 273 CA TYR A 20 4.744 -7.124 7.781 1.00 0.00 C ATOM 274 C TYR A 20 5.200 -5.676 7.805 1.00 0.00 C ATOM 275 O TYR A 20 6.039 -5.265 8.581 1.00 0.00 O ATOM 276 CB TYR A 20 4.211 -7.521 9.147 1.00 0.00 C ATOM 277 CG TYR A 20 2.882 -6.842 9.382 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.898 -6.857 8.381 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.630 -6.198 10.600 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.668 -6.230 8.601 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.397 -5.570 10.817 1.00 0.00 C ATOM 282 CZ TYR A 20 0.417 -5.585 9.818 1.00 0.00 C ATOM 283 OH TYR A 20 -0.796 -4.965 10.031 1.00 0.00 O ATOM 0 H TYR A 20 6.748 -7.870 7.821 1.00 0.00 H new ATOM 0 HA TYR A 20 3.947 -7.218 7.044 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.094 -8.603 9.204 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.920 -7.236 9.924 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.091 -7.353 7.441 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.386 -6.186 11.371 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.089 -6.243 7.831 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.202 -5.074 11.756 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.167 -5.259 10.889 1.00 0.00 H new ATOM 293 N ARG A 21 4.598 -4.910 6.959 1.00 0.00 N ATOM 294 CA ARG A 21 4.886 -3.453 6.858 1.00 0.00 C ATOM 295 C ARG A 21 3.576 -2.786 6.445 1.00 0.00 C ATOM 296 O ARG A 21 3.400 -2.424 5.300 1.00 0.00 O ATOM 297 CB ARG A 21 5.954 -3.199 5.788 1.00 0.00 C ATOM 298 CG ARG A 21 7.312 -3.709 6.277 1.00 0.00 C ATOM 299 CD ARG A 21 8.119 -2.546 6.857 1.00 0.00 C ATOM 300 NE ARG A 21 9.468 -2.508 6.221 1.00 0.00 N ATOM 301 CZ ARG A 21 10.109 -1.376 6.115 1.00 0.00 C ATOM 302 NH1 ARG A 21 10.535 -0.763 7.184 1.00 0.00 N ATOM 303 NH2 ARG A 21 10.324 -0.856 4.937 1.00 0.00 N ATOM 0 H ARG A 21 3.889 -5.240 6.304 1.00 0.00 H new ATOM 0 HA ARG A 21 5.258 -3.058 7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.679 -3.702 4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.014 -2.133 5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.171 -4.480 7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.858 -4.168 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.597 -1.605 6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.218 -2.661 7.936 1.00 0.00 H new ATOM 0 HE ARG A 21 9.890 -3.367 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.368 -1.168 8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.036 0.122 7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.991 -1.334 4.100 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.825 0.029 4.854 1.00 0.00 H new ATOM 317 N PRO A 22 2.678 -2.691 7.395 1.00 0.00 N ATOM 318 CA PRO A 22 1.324 -2.142 7.174 1.00 0.00 C ATOM 319 C PRO A 22 1.329 -0.668 6.823 1.00 0.00 C ATOM 320 O PRO A 22 1.953 0.126 7.478 1.00 0.00 O ATOM 321 CB PRO A 22 0.613 -2.370 8.515 1.00 0.00 C ATOM 322 CG PRO A 22 1.725 -2.563 9.567 1.00 0.00 C ATOM 323 CD PRO A 22 2.951 -3.080 8.796 1.00 0.00 C ATOM 0 HA PRO A 22 0.836 -2.626 6.328 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.020 -1.520 8.769 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.034 -3.246 8.468 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.950 -1.625 10.074 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.418 -3.274 10.334 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.873 -2.630 9.163 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.061 -4.160 8.897 1.00 0.00 H new ATOM 331 N LEU A 23 0.614 -0.286 5.801 1.00 0.00 N ATOM 332 CA LEU A 23 0.571 1.151 5.459 1.00 0.00 C ATOM 333 C LEU A 23 -0.867 1.633 5.571 1.00 0.00 C ATOM 334 O LEU A 23 -1.791 0.972 5.137 1.00 0.00 O ATOM 335 CB LEU A 23 1.083 1.354 4.046 1.00 0.00 C ATOM 336 CG LEU A 23 2.317 0.486 3.856 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.064 -0.501 2.731 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.508 1.368 3.507 1.00 0.00 C ATOM 0 H LEU A 23 0.067 -0.902 5.199 1.00 0.00 H new ATOM 0 HA LEU A 23 1.202 1.720 6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.314 1.085 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.327 2.403 3.878 1.00 0.00 H new ATOM 0 HG LEU A 23 2.530 -0.058 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.946 -1.126 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.210 -1.130 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.854 0.043 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.393 0.747 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.301 1.911 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.684 2.078 4.315 1.00 0.00 H new ATOM 350 N CYS A 24 -1.065 2.778 6.149 1.00 0.00 N ATOM 351 CA CYS A 24 -2.448 3.305 6.281 1.00 0.00 C ATOM 352 C CYS A 24 -2.849 3.901 4.945 1.00 0.00 C ATOM 353 O CYS A 24 -2.240 4.841 4.477 1.00 0.00 O ATOM 354 CB CYS A 24 -2.492 4.412 7.327 1.00 0.00 C ATOM 355 SG CYS A 24 -4.191 5.005 7.506 1.00 0.00 S ATOM 0 H CYS A 24 -0.332 3.372 6.536 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.119 2.500 6.579 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.123 4.039 8.282 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.838 5.233 7.031 1.00 0.00 H new ATOM 360 N GLY A 25 -3.857 3.382 4.317 1.00 0.00 N ATOM 361 CA GLY A 25 -4.243 3.960 3.014 1.00 0.00 C ATOM 362 C GLY A 25 -4.734 5.396 3.242 1.00 0.00 C ATOM 363 O GLY A 25 -4.534 5.966 4.296 1.00 0.00 O ATOM 0 H GLY A 25 -4.421 2.597 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.393 3.955 2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.027 3.361 2.552 1.00 0.00 H new ATOM 367 N SER A 26 -5.386 5.981 2.273 1.00 0.00 N ATOM 368 CA SER A 26 -5.900 7.372 2.452 1.00 0.00 C ATOM 369 C SER A 26 -7.270 7.317 3.124 1.00 0.00 C ATOM 370 O SER A 26 -7.641 8.196 3.875 1.00 0.00 O ATOM 371 CB SER A 26 -6.038 8.059 1.093 1.00 0.00 C ATOM 372 OG SER A 26 -6.876 9.198 1.229 1.00 0.00 O ATOM 0 H SER A 26 -5.585 5.558 1.367 1.00 0.00 H new ATOM 0 HA SER A 26 -5.201 7.935 3.070 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.058 8.356 0.721 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.459 7.367 0.363 1.00 0.00 H new ATOM 0 HG SER A 26 -6.955 9.651 0.364 1.00 0.00 H new ATOM 378 N ASP A 27 -8.025 6.283 2.866 1.00 0.00 N ATOM 379 CA ASP A 27 -9.368 6.168 3.499 1.00 0.00 C ATOM 380 C ASP A 27 -9.199 5.913 5.001 1.00 0.00 C ATOM 381 O ASP A 27 -10.161 5.875 5.742 1.00 0.00 O ATOM 382 CB ASP A 27 -10.150 5.015 2.862 1.00 0.00 C ATOM 383 CG ASP A 27 -9.209 3.843 2.578 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.831 3.170 3.521 1.00 0.00 O ATOM 385 OD2 ASP A 27 -8.883 3.639 1.420 1.00 0.00 O ATOM 0 H ASP A 27 -7.769 5.515 2.245 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.920 7.095 3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.952 4.696 3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.619 5.349 1.936 1.00 0.00 H new ATOM 390 N ASN A 28 -7.977 5.742 5.447 1.00 0.00 N ATOM 391 CA ASN A 28 -7.710 5.498 6.893 1.00 0.00 C ATOM 392 C ASN A 28 -7.831 4.007 7.199 1.00 0.00 C ATOM 393 O ASN A 28 -7.913 3.605 8.343 1.00 0.00 O ATOM 394 CB ASN A 28 -8.697 6.287 7.757 1.00 0.00 C ATOM 395 CG ASN A 28 -7.979 6.812 9.002 1.00 0.00 C ATOM 396 OD1 ASN A 28 -7.454 6.045 9.783 1.00 0.00 O ATOM 397 ND2 ASN A 28 -7.931 8.098 9.218 1.00 0.00 N ATOM 0 H ASN A 28 -7.144 5.762 4.859 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.698 5.831 7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.113 7.118 7.187 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.532 5.650 8.047 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.452 8.459 10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.372 8.742 8.562 1.00 0.00 H new ATOM 404 N LYS A 29 -7.825 3.181 6.193 1.00 0.00 N ATOM 405 CA LYS A 29 -7.919 1.727 6.434 1.00 0.00 C ATOM 406 C LYS A 29 -6.522 1.124 6.352 1.00 0.00 C ATOM 407 O LYS A 29 -5.868 1.167 5.330 1.00 0.00 O ATOM 408 CB LYS A 29 -8.806 1.088 5.378 1.00 0.00 C ATOM 409 CG LYS A 29 -8.917 -0.404 5.662 1.00 0.00 C ATOM 410 CD LYS A 29 -10.306 -0.906 5.264 1.00 0.00 C ATOM 411 CE LYS A 29 -10.252 -1.492 3.852 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.255 -0.804 2.992 1.00 0.00 N ATOM 0 H LYS A 29 -7.759 3.456 5.213 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.348 1.545 7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.794 1.548 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.388 1.252 4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.152 -0.947 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.740 -0.596 6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.647 -1.663 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.025 -0.088 5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.253 -1.370 3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.456 -2.562 3.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.220 -1.201 2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.206 -0.943 3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.041 0.213 2.954 1.00 0.00 H new ATOM 426 N THR A 30 -6.062 0.567 7.428 1.00 0.00 N ATOM 427 CA THR A 30 -4.702 -0.038 7.435 1.00 0.00 C ATOM 428 C THR A 30 -4.588 -1.055 6.299 1.00 0.00 C ATOM 429 O THR A 30 -5.570 -1.591 5.826 1.00 0.00 O ATOM 430 CB THR A 30 -4.469 -0.760 8.766 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.371 0.193 9.814 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.176 -1.577 8.688 1.00 0.00 C ATOM 0 H THR A 30 -6.569 0.502 8.311 1.00 0.00 H new ATOM 0 HA THR A 30 -3.960 0.750 7.304 1.00 0.00 H new ATOM 0 HB THR A 30 -5.306 -1.429 8.966 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.726 -0.193 10.642 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.012 -2.090 9.636 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.258 -2.312 7.887 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.337 -0.912 8.486 1.00 0.00 H new ATOM 440 N TYR A 31 -3.389 -1.346 5.883 1.00 0.00 N ATOM 441 CA TYR A 31 -3.187 -2.349 4.811 1.00 0.00 C ATOM 442 C TYR A 31 -2.143 -3.339 5.318 1.00 0.00 C ATOM 443 O TYR A 31 -1.139 -2.938 5.874 1.00 0.00 O ATOM 444 CB TYR A 31 -2.710 -1.666 3.522 1.00 0.00 C ATOM 445 CG TYR A 31 -3.899 -1.403 2.633 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.478 -2.447 1.906 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.428 -0.110 2.542 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.585 -2.200 1.085 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.535 0.137 1.722 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.114 -0.908 0.993 1.00 0.00 C ATOM 451 OH TYR A 31 -7.207 -0.664 0.187 1.00 0.00 O ATOM 0 H TYR A 31 -2.533 -0.926 6.246 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.119 -2.862 4.577 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.203 -0.730 3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.988 -2.299 3.006 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.071 -3.445 1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.982 0.697 3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.031 -3.007 0.523 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.943 1.135 1.652 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.447 0.285 0.239 1.00 0.00 H new ATOM 461 N GLY A 32 -2.383 -4.623 5.177 1.00 0.00 N ATOM 462 CA GLY A 32 -1.408 -5.624 5.703 1.00 0.00 C ATOM 463 C GLY A 32 0.010 -5.146 5.431 1.00 0.00 C ATOM 464 O GLY A 32 0.838 -5.083 6.317 1.00 0.00 O ATOM 0 H GLY A 32 -3.208 -5.016 4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.556 -5.764 6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.574 -6.592 5.229 1.00 0.00 H new ATOM 468 N ASN A 33 0.295 -4.795 4.215 1.00 0.00 N ATOM 469 CA ASN A 33 1.658 -4.307 3.897 1.00 0.00 C ATOM 470 C ASN A 33 1.631 -3.541 2.579 1.00 0.00 C ATOM 471 O ASN A 33 0.607 -3.038 2.166 1.00 0.00 O ATOM 472 CB ASN A 33 2.637 -5.486 3.828 1.00 0.00 C ATOM 473 CG ASN A 33 2.193 -6.492 2.764 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.253 -6.250 2.033 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.843 -7.621 2.652 1.00 0.00 N ATOM 0 H ASN A 33 -0.354 -4.824 3.429 1.00 0.00 H new ATOM 0 HA ASN A 33 1.997 -3.633 4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.638 -5.122 3.597 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.693 -5.977 4.800 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.562 -8.304 1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.631 -7.819 3.268 1.00 0.00 H new ATOM 482 N LYS A 34 2.751 -3.414 1.936 1.00 0.00 N ATOM 483 CA LYS A 34 2.787 -2.639 0.666 1.00 0.00 C ATOM 484 C LYS A 34 1.939 -3.315 -0.417 1.00 0.00 C ATOM 485 O LYS A 34 1.044 -2.713 -0.968 1.00 0.00 O ATOM 486 CB LYS A 34 4.234 -2.495 0.180 1.00 0.00 C ATOM 487 CG LYS A 34 5.048 -3.737 0.564 1.00 0.00 C ATOM 488 CD LYS A 34 5.997 -4.103 -0.579 1.00 0.00 C ATOM 489 CE LYS A 34 5.188 -4.435 -1.833 1.00 0.00 C ATOM 490 NZ LYS A 34 5.274 -5.899 -2.105 1.00 0.00 N ATOM 0 H LYS A 34 3.643 -3.811 2.231 1.00 0.00 H new ATOM 0 HA LYS A 34 2.370 -1.651 0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.250 -2.361 -0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.686 -1.605 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.616 -3.545 1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.379 -4.571 0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.675 -3.274 -0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.612 -4.957 -0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.148 -4.140 -1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.570 -3.873 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.886 -6.100 -3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.268 -6.201 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.727 -6.418 -1.389 1.00 0.00 H new ATOM 504 N CYS A 35 2.213 -4.544 -0.740 1.00 0.00 N ATOM 505 CA CYS A 35 1.419 -5.227 -1.801 1.00 0.00 C ATOM 506 C CYS A 35 -0.072 -4.919 -1.634 1.00 0.00 C ATOM 507 O CYS A 35 -0.719 -4.428 -2.538 1.00 0.00 O ATOM 508 CB CYS A 35 1.629 -6.735 -1.696 1.00 0.00 C ATOM 509 SG CYS A 35 0.754 -7.561 -3.047 1.00 0.00 S ATOM 0 H CYS A 35 2.951 -5.107 -0.318 1.00 0.00 H new ATOM 0 HA CYS A 35 1.751 -4.867 -2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.693 -6.969 -1.741 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.263 -7.098 -0.736 1.00 0.00 H new ATOM 514 N ASN A 36 -0.626 -5.228 -0.496 1.00 0.00 N ATOM 515 CA ASN A 36 -2.083 -4.983 -0.279 1.00 0.00 C ATOM 516 C ASN A 36 -2.417 -3.487 -0.397 1.00 0.00 C ATOM 517 O ASN A 36 -3.411 -3.115 -0.988 1.00 0.00 O ATOM 518 CB ASN A 36 -2.487 -5.480 1.107 1.00 0.00 C ATOM 519 CG ASN A 36 -2.592 -7.003 1.086 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.642 -7.552 0.815 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.539 -7.711 1.366 1.00 0.00 N ATOM 0 H ASN A 36 -0.134 -5.641 0.296 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.636 -5.524 -1.047 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.752 -5.165 1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.442 -5.042 1.399 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.593 -8.730 1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.659 -7.248 1.593 1.00 0.00 H new ATOM 528 N PHE A 37 -1.613 -2.627 0.173 1.00 0.00 N ATOM 529 CA PHE A 37 -1.915 -1.162 0.101 1.00 0.00 C ATOM 530 C PHE A 37 -2.054 -0.717 -1.346 1.00 0.00 C ATOM 531 O PHE A 37 -3.069 -0.201 -1.769 1.00 0.00 O ATOM 532 CB PHE A 37 -0.781 -0.347 0.746 1.00 0.00 C ATOM 533 CG PHE A 37 -1.015 1.116 0.494 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.282 1.669 0.665 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.042 1.905 0.047 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.496 3.029 0.384 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.163 3.260 -0.229 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.435 3.820 -0.063 1.00 0.00 C ATOM 0 H PHE A 37 -0.764 -2.872 0.683 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.849 -0.990 0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.742 -0.541 1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.181 -0.650 0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.098 1.054 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.021 1.470 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.477 3.461 0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.658 3.873 -0.570 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.596 4.865 -0.281 1.00 0.00 H new ATOM 548 N CYS A 38 -1.014 -0.885 -2.081 1.00 0.00 N ATOM 549 CA CYS A 38 -1.007 -0.456 -3.505 1.00 0.00 C ATOM 550 C CYS A 38 -2.165 -1.103 -4.259 1.00 0.00 C ATOM 551 O CYS A 38 -2.912 -0.426 -4.920 1.00 0.00 O ATOM 552 CB CYS A 38 0.328 -0.837 -4.154 1.00 0.00 C ATOM 553 SG CYS A 38 0.146 -0.925 -5.957 1.00 0.00 S ATOM 0 H CYS A 38 -0.144 -1.309 -1.759 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.128 0.626 -3.550 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.090 -0.102 -3.894 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.667 -1.798 -3.768 1.00 0.00 H new ATOM 558 N ASN A 39 -2.325 -2.400 -4.193 1.00 0.00 N ATOM 559 CA ASN A 39 -3.443 -3.030 -4.936 1.00 0.00 C ATOM 560 C ASN A 39 -4.687 -2.159 -4.783 1.00 0.00 C ATOM 561 O ASN A 39 -5.520 -2.081 -5.658 1.00 0.00 O ATOM 562 CB ASN A 39 -3.691 -4.420 -4.369 1.00 0.00 C ATOM 563 CG ASN A 39 -2.375 -5.195 -4.350 1.00 0.00 C ATOM 564 OD1 ASN A 39 -1.357 -4.699 -4.791 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.352 -6.399 -3.855 1.00 0.00 N ATOM 0 H ASN A 39 -1.734 -3.039 -3.661 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.199 -3.119 -5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.099 -4.347 -3.361 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.429 -4.947 -4.974 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.479 -6.926 -3.837 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.207 -6.815 -3.485 1.00 0.00 H new ATOM 572 N ALA A 40 -4.786 -1.460 -3.687 1.00 0.00 N ATOM 573 CA ALA A 40 -5.939 -0.548 -3.487 1.00 0.00 C ATOM 574 C ALA A 40 -5.710 0.684 -4.362 1.00 0.00 C ATOM 575 O ALA A 40 -6.568 1.104 -5.110 1.00 0.00 O ATOM 576 CB ALA A 40 -6.001 -0.132 -2.015 1.00 0.00 C ATOM 0 H ALA A 40 -4.114 -1.483 -2.920 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.875 -1.037 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.847 0.539 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.123 -1.018 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.078 0.380 -1.742 1.00 0.00 H new ATOM 582 N VAL A 41 -4.538 1.249 -4.271 1.00 0.00 N ATOM 583 CA VAL A 41 -4.198 2.445 -5.092 1.00 0.00 C ATOM 584 C VAL A 41 -4.349 2.113 -6.580 1.00 0.00 C ATOM 585 O VAL A 41 -5.131 2.708 -7.286 1.00 0.00 O ATOM 586 CB VAL A 41 -2.743 2.827 -4.821 1.00 0.00 C ATOM 587 CG1 VAL A 41 -2.332 3.987 -5.733 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.586 3.236 -3.355 1.00 0.00 C ATOM 0 H VAL A 41 -3.792 0.928 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.866 3.267 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.101 1.971 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.294 4.255 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.437 3.685 -6.775 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.972 4.847 -5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.548 3.508 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.230 4.090 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.868 2.402 -2.712 1.00 0.00 H new ATOM 598 N VAL A 42 -3.574 1.183 -7.063 1.00 0.00 N ATOM 599 CA VAL A 42 -3.626 0.815 -8.493 1.00 0.00 C ATOM 600 C VAL A 42 -5.037 0.371 -8.913 1.00 0.00 C ATOM 601 O VAL A 42 -5.405 0.507 -10.064 1.00 0.00 O ATOM 602 CB VAL A 42 -2.612 -0.309 -8.733 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.825 -1.449 -7.736 1.00 0.00 C ATOM 604 CG2 VAL A 42 -2.775 -0.834 -10.149 1.00 0.00 C ATOM 0 H VAL A 42 -2.896 0.656 -6.512 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.377 1.686 -9.099 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.606 0.087 -8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.095 -2.237 -7.923 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.700 -1.072 -6.721 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.831 -1.851 -7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.056 -1.634 -10.325 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.786 -1.219 -10.280 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.600 -0.026 -10.859 1.00 0.00 H new ATOM 614 N GLU A 43 -5.844 -0.140 -8.018 1.00 0.00 N ATOM 615 CA GLU A 43 -7.215 -0.550 -8.433 1.00 0.00 C ATOM 616 C GLU A 43 -8.172 0.621 -8.219 1.00 0.00 C ATOM 617 O GLU A 43 -9.290 0.621 -8.692 1.00 0.00 O ATOM 618 CB GLU A 43 -7.686 -1.753 -7.610 1.00 0.00 C ATOM 619 CG GLU A 43 -8.453 -2.715 -8.514 1.00 0.00 C ATOM 620 CD GLU A 43 -9.581 -3.375 -7.719 1.00 0.00 C ATOM 621 OE1 GLU A 43 -10.385 -2.649 -7.155 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.624 -4.593 -7.689 1.00 0.00 O ATOM 0 H GLU A 43 -5.617 -0.288 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.200 -0.832 -9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.831 -2.260 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.323 -1.420 -6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.863 -2.178 -9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.779 -3.475 -8.908 1.00 0.00 H new ATOM 629 N SER A 44 -7.737 1.617 -7.497 1.00 0.00 N ATOM 630 CA SER A 44 -8.615 2.789 -7.235 1.00 0.00 C ATOM 631 C SER A 44 -8.175 3.981 -8.098 1.00 0.00 C ATOM 632 O SER A 44 -8.443 5.115 -7.772 1.00 0.00 O ATOM 633 CB SER A 44 -8.524 3.161 -5.753 1.00 0.00 C ATOM 634 OG SER A 44 -8.880 4.526 -5.579 1.00 0.00 O ATOM 0 H SER A 44 -6.809 1.668 -7.077 1.00 0.00 H new ATOM 0 HA SER A 44 -9.644 2.535 -7.488 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.187 2.525 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.512 2.990 -5.387 1.00 0.00 H new ATOM 0 HG SER A 44 -8.261 5.093 -6.085 1.00 0.00 H new ATOM 640 N ASN A 45 -7.494 3.723 -9.189 1.00 0.00 N ATOM 641 CA ASN A 45 -7.018 4.819 -10.089 1.00 0.00 C ATOM 642 C ASN A 45 -5.986 5.696 -9.367 1.00 0.00 C ATOM 643 O ASN A 45 -5.536 6.696 -9.889 1.00 0.00 O ATOM 644 CB ASN A 45 -8.191 5.682 -10.597 1.00 0.00 C ATOM 645 CG ASN A 45 -8.535 6.788 -9.597 1.00 0.00 C ATOM 646 OD1 ASN A 45 -7.703 7.612 -9.274 1.00 0.00 O ATOM 647 ND2 ASN A 45 -9.737 6.842 -9.092 1.00 0.00 N ATOM 0 H ASN A 45 -7.244 2.783 -9.498 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.545 4.355 -10.954 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.931 6.125 -11.558 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.065 5.052 -10.762 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.978 7.576 -8.426 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -10.436 6.150 -9.363 1.00 0.00 H new ATOM 654 N GLY A 46 -5.591 5.313 -8.188 1.00 0.00 N ATOM 655 CA GLY A 46 -4.568 6.099 -7.441 1.00 0.00 C ATOM 656 C GLY A 46 -5.206 7.299 -6.741 1.00 0.00 C ATOM 657 O GLY A 46 -4.520 8.136 -6.189 1.00 0.00 O ATOM 0 H GLY A 46 -5.934 4.483 -7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.080 5.461 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.795 6.443 -8.128 1.00 0.00 H new ATOM 661 N THR A 47 -6.506 7.388 -6.729 1.00 0.00 N ATOM 662 CA THR A 47 -7.148 8.533 -6.027 1.00 0.00 C ATOM 663 C THR A 47 -7.155 8.230 -4.525 1.00 0.00 C ATOM 664 O THR A 47 -7.548 9.044 -3.713 1.00 0.00 O ATOM 665 CB THR A 47 -8.582 8.716 -6.529 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.080 9.971 -6.083 1.00 0.00 O ATOM 667 CG2 THR A 47 -9.463 7.594 -5.986 1.00 0.00 C ATOM 0 H THR A 47 -7.145 6.726 -7.169 1.00 0.00 H new ATOM 0 HA THR A 47 -6.595 9.452 -6.223 1.00 0.00 H new ATOM 0 HB THR A 47 -8.593 8.685 -7.619 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.700 10.180 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.484 7.727 -6.345 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.080 6.633 -6.328 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.455 7.620 -4.896 1.00 0.00 H new ATOM 675 N LEU A 48 -6.710 7.055 -4.158 1.00 0.00 N ATOM 676 CA LEU A 48 -6.666 6.661 -2.739 1.00 0.00 C ATOM 677 C LEU A 48 -5.431 7.285 -2.092 1.00 0.00 C ATOM 678 O LEU A 48 -5.509 8.283 -1.405 1.00 0.00 O ATOM 679 CB LEU A 48 -6.586 5.127 -2.702 1.00 0.00 C ATOM 680 CG LEU A 48 -6.002 4.626 -1.383 1.00 0.00 C ATOM 681 CD1 LEU A 48 -7.131 4.444 -0.380 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.310 3.283 -1.628 1.00 0.00 C ATOM 0 H LEU A 48 -6.370 6.344 -4.806 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.546 7.002 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.582 4.707 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.971 4.774 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.281 5.344 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.724 4.086 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.634 5.398 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.846 3.717 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.889 2.915 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.036 2.564 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.512 3.413 -2.359 1.00 0.00 H new ATOM 694 N THR A 49 -4.301 6.682 -2.291 1.00 0.00 N ATOM 695 CA THR A 49 -3.054 7.192 -1.682 1.00 0.00 C ATOM 696 C THR A 49 -3.124 6.929 -0.191 1.00 0.00 C ATOM 697 O THR A 49 -4.141 6.537 0.315 1.00 0.00 O ATOM 698 CB THR A 49 -2.908 8.685 -1.936 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.541 9.414 -0.893 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.544 9.040 -3.274 1.00 0.00 C ATOM 0 H THR A 49 -4.188 5.843 -2.860 1.00 0.00 H new ATOM 0 HA THR A 49 -2.192 6.690 -2.122 1.00 0.00 H new ATOM 0 HB THR A 49 -1.850 8.945 -1.961 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.512 9.403 -1.028 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.439 10.110 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.047 8.487 -4.071 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.602 8.778 -3.255 1.00 0.00 H new ATOM 708 N LEU A 50 -2.048 7.100 0.504 1.00 0.00 N ATOM 709 CA LEU A 50 -2.050 6.817 1.961 1.00 0.00 C ATOM 710 C LEU A 50 -1.689 8.082 2.755 1.00 0.00 C ATOM 711 O LEU A 50 -1.327 9.096 2.191 1.00 0.00 O ATOM 712 CB LEU A 50 -1.056 5.669 2.168 1.00 0.00 C ATOM 713 CG LEU A 50 0.051 5.989 3.166 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.533 4.670 3.732 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.205 6.688 2.441 1.00 0.00 C ATOM 0 H LEU A 50 -1.158 7.426 0.127 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.033 6.523 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.598 4.788 2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.606 5.413 1.209 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.312 6.645 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.329 4.853 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.295 4.162 4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.913 4.044 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.997 6.917 3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.596 6.033 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.844 7.612 1.990 1.00 0.00 H new ATOM 727 N SER A 51 -1.779 8.028 4.061 1.00 0.00 N ATOM 728 CA SER A 51 -1.437 9.217 4.880 1.00 0.00 C ATOM 729 C SER A 51 -0.090 8.958 5.537 1.00 0.00 C ATOM 730 O SER A 51 0.717 9.848 5.719 1.00 0.00 O ATOM 731 CB SER A 51 -2.465 9.430 6.001 1.00 0.00 C ATOM 732 OG SER A 51 -2.736 10.818 6.141 1.00 0.00 O ATOM 0 H SER A 51 -2.076 7.208 4.590 1.00 0.00 H new ATOM 0 HA SER A 51 -1.422 10.096 4.236 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.384 8.891 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.084 9.027 6.939 1.00 0.00 H new ATOM 0 HG SER A 51 -3.393 10.953 6.855 1.00 0.00 H new ATOM 738 N HIS A 52 0.139 7.733 5.916 1.00 0.00 N ATOM 739 CA HIS A 52 1.413 7.385 6.590 1.00 0.00 C ATOM 740 C HIS A 52 1.619 5.872 6.535 1.00 0.00 C ATOM 741 O HIS A 52 0.710 5.119 6.254 1.00 0.00 O ATOM 742 CB HIS A 52 1.322 7.812 8.049 1.00 0.00 C ATOM 743 CG HIS A 52 0.215 7.037 8.710 1.00 0.00 C ATOM 744 ND1 HIS A 52 0.399 6.367 9.909 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.090 6.791 8.341 1.00 0.00 C ATOM 746 CE1 HIS A 52 -0.761 5.757 10.214 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.698 5.988 9.296 1.00 0.00 N ATOM 0 H HIS A 52 -0.508 6.955 5.786 1.00 0.00 H new ATOM 0 HA HIS A 52 2.244 7.888 6.095 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.269 7.627 8.557 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.128 8.882 8.118 1.00 0.00 H new ATOM 0 HD1 HIS A 52 1.257 6.341 10.460 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.566 7.165 7.447 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.914 5.153 11.096 1.00 0.00 H new ATOM 755 N PHE A 53 2.807 5.429 6.818 1.00 0.00 N ATOM 756 CA PHE A 53 3.082 3.966 6.803 1.00 0.00 C ATOM 757 C PHE A 53 2.480 3.327 8.061 1.00 0.00 C ATOM 758 O PHE A 53 1.650 3.915 8.726 1.00 0.00 O ATOM 759 CB PHE A 53 4.597 3.738 6.766 1.00 0.00 C ATOM 760 CG PHE A 53 5.110 4.052 5.382 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.034 5.359 4.891 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.657 3.037 4.589 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.504 5.652 3.606 1.00 0.00 C ATOM 764 CE2 PHE A 53 6.128 3.329 3.305 1.00 0.00 C ATOM 765 CZ PHE A 53 6.052 4.637 2.813 1.00 0.00 C ATOM 0 H PHE A 53 3.604 6.017 7.060 1.00 0.00 H new ATOM 0 HA PHE A 53 2.632 3.509 5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.091 4.372 7.503 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.828 2.705 7.027 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.613 6.142 5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.715 2.028 4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.444 6.661 3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.550 2.545 2.693 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.416 4.863 1.822 1.00 0.00 H new ATOM 775 N GLY A 54 2.874 2.125 8.384 1.00 0.00 N ATOM 776 CA GLY A 54 2.313 1.444 9.583 1.00 0.00 C ATOM 777 C GLY A 54 0.798 1.325 9.428 1.00 0.00 C ATOM 778 O GLY A 54 0.243 1.589 8.381 1.00 0.00 O ATOM 0 H GLY A 54 3.565 1.583 7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.758 0.455 9.696 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.556 2.008 10.484 1.00 0.00 H new ATOM 782 N LYS A 55 0.126 0.955 10.478 1.00 0.00 N ATOM 783 CA LYS A 55 -1.359 0.842 10.419 1.00 0.00 C ATOM 784 C LYS A 55 -1.977 2.170 10.867 1.00 0.00 C ATOM 785 O LYS A 55 -1.477 2.822 11.761 1.00 0.00 O ATOM 786 CB LYS A 55 -1.837 -0.279 11.349 1.00 0.00 C ATOM 787 CG LYS A 55 -0.722 -1.310 11.541 1.00 0.00 C ATOM 788 CD LYS A 55 -1.333 -2.699 11.746 1.00 0.00 C ATOM 789 CE LYS A 55 -2.485 -2.612 12.751 1.00 0.00 C ATOM 790 NZ LYS A 55 -2.350 -3.704 13.756 1.00 0.00 N ATOM 0 H LYS A 55 0.541 0.724 11.381 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.665 0.612 9.398 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.129 0.137 12.313 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.720 -0.760 10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.065 -1.316 10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.109 -1.041 12.401 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.695 -3.092 10.796 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.573 -3.392 12.108 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.476 -1.642 13.248 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.441 -2.696 12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.132 -3.646 14.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.379 -4.625 13.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.444 -3.604 14.257 1.00 0.00 H new ATOM 804 N CYS A 56 -3.060 2.573 10.259 1.00 0.00 N ATOM 805 CA CYS A 56 -3.709 3.855 10.659 1.00 0.00 C ATOM 806 C CYS A 56 -3.719 3.974 12.186 1.00 0.00 C ATOM 807 O CYS A 56 -4.365 3.156 12.819 1.00 0.00 O ATOM 808 CB CYS A 56 -5.147 3.882 10.141 1.00 0.00 C ATOM 809 SG CYS A 56 -5.158 3.463 8.381 1.00 0.00 S ATOM 810 OXT CYS A 56 -3.080 4.881 12.694 1.00 0.00 O ATOM 0 H CYS A 56 -3.524 2.070 9.502 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.150 4.689 10.234 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.760 3.174 10.699 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.582 4.870 10.294 1.00 0.00 H new TER 815 CYS A 56