USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 465 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 18 LYS NZ :NH3+ -139:sc= 0 (180deg=-1.15) USER MOD Set 1.2: A 29 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 ASN : amide:sc= -2.07 K(o=-3.4,f=-5.8!) USER MOD Set 2.2: A 13 LYS NZ :NH3+ 151:sc= -1.32 (180deg=-0.252) USER MOD Set 3.1: A 1 THR OG1 : rot 37:sc= 0.789 USER MOD Set 3.2: A 3 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 1 THR N :NH3+ 172:sc= 0.98 (180deg=0.943) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -151:sc= -0.363 (180deg=-2.02!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.2 F(o=-1,f=-0.2) USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= -0.307 (180deg=-0.969) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 15:sc= 0 USER MOD Single : A 46 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 51 THR OG1 : rot 180:sc= -0.647 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00764 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.864 -13.733 4.706 1.00 0.00 N ATOM 2 CA THR A 1 5.101 -13.239 3.530 1.00 0.00 C ATOM 3 C THR A 1 5.385 -11.763 3.270 1.00 0.00 C ATOM 4 O THR A 1 5.571 -10.983 4.205 1.00 0.00 O ATOM 5 CB THR A 1 3.609 -13.450 3.792 1.00 0.00 C ATOM 6 OG1 THR A 1 3.325 -13.358 5.177 1.00 0.00 O ATOM 7 CG2 THR A 1 3.099 -14.789 3.307 1.00 0.00 C ATOM 0 H1 THR A 1 5.552 -14.696 4.943 1.00 0.00 H new ATOM 0 H2 THR A 1 6.879 -13.743 4.482 1.00 0.00 H new ATOM 0 H3 THR A 1 5.695 -13.105 5.518 1.00 0.00 H new ATOM 0 HA THR A 1 5.410 -13.795 2.645 1.00 0.00 H new ATOM 0 HB THR A 1 3.104 -12.663 3.232 1.00 0.00 H new ATOM 0 HG1 THR A 1 3.891 -12.668 5.582 1.00 0.00 H new ATOM 0 HG21 THR A 1 2.034 -14.873 3.524 1.00 0.00 H new ATOM 0 HG22 THR A 1 3.258 -14.871 2.232 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.637 -15.589 3.815 1.00 0.00 H new ATOM 17 N THR A 2 5.412 -11.387 1.997 1.00 0.00 N ATOM 18 CA THR A 2 5.670 -10.003 1.614 1.00 0.00 C ATOM 19 C THR A 2 4.443 -9.384 0.953 1.00 0.00 C ATOM 20 O THR A 2 3.731 -10.048 0.200 1.00 0.00 O ATOM 21 CB THR A 2 6.868 -9.930 0.663 1.00 0.00 C ATOM 22 OG1 THR A 2 6.791 -10.947 -0.320 1.00 0.00 O ATOM 23 CG2 THR A 2 8.200 -10.072 1.368 1.00 0.00 C ATOM 0 H THR A 2 5.259 -12.020 1.212 1.00 0.00 H new ATOM 0 HA THR A 2 5.897 -9.438 2.518 1.00 0.00 H new ATOM 0 HB THR A 2 6.818 -8.940 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.564 -10.882 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.007 -10.011 0.637 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.312 -9.271 2.099 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.242 -11.036 1.876 1.00 0.00 H new ATOM 31 N TYR A 3 4.202 -8.109 1.239 1.00 0.00 N ATOM 32 CA TYR A 3 3.059 -7.401 0.674 1.00 0.00 C ATOM 33 C TYR A 3 3.514 -6.168 -0.104 1.00 0.00 C ATOM 34 O TYR A 3 4.537 -5.562 0.220 1.00 0.00 O ATOM 35 CB TYR A 3 2.088 -6.991 1.783 1.00 0.00 C ATOM 36 CG TYR A 3 1.598 -8.152 2.617 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.451 -8.811 3.494 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.281 -8.590 2.529 1.00 0.00 C ATOM 39 CE1 TYR A 3 2.007 -9.872 4.260 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.169 -9.651 3.291 1.00 0.00 C ATOM 41 CZ TYR A 3 0.696 -10.287 4.155 1.00 0.00 C ATOM 42 OH TYR A 3 0.250 -11.344 4.914 1.00 0.00 O ATOM 0 H TYR A 3 4.783 -7.545 1.859 1.00 0.00 H new ATOM 0 HA TYR A 3 2.549 -8.075 -0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.578 -6.268 2.435 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.231 -6.488 1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.478 -8.489 3.578 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.401 -8.093 1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.683 -10.373 4.937 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.194 -9.981 3.210 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.697 -11.508 4.722 1.00 0.00 H new ATOM 52 N LYS A 4 2.748 -5.803 -1.130 1.00 0.00 N ATOM 53 CA LYS A 4 3.074 -4.643 -1.954 1.00 0.00 C ATOM 54 C LYS A 4 1.899 -3.676 -2.024 1.00 0.00 C ATOM 55 O LYS A 4 0.742 -4.075 -1.913 1.00 0.00 O ATOM 56 CB LYS A 4 3.476 -5.086 -3.363 1.00 0.00 C ATOM 57 CG LYS A 4 4.932 -4.805 -3.697 1.00 0.00 C ATOM 58 CD LYS A 4 5.335 -5.442 -5.017 1.00 0.00 C ATOM 59 CE LYS A 4 5.876 -6.849 -4.815 1.00 0.00 C ATOM 60 NZ LYS A 4 5.457 -7.769 -5.907 1.00 0.00 N ATOM 0 H LYS A 4 1.899 -6.294 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 4 3.915 -4.127 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.288 -6.155 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.841 -4.579 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.093 -3.728 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.569 -5.186 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.474 -5.475 -5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.092 -4.826 -5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.964 -6.816 -4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.526 -7.238 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.395 -8.740 -5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.527 -7.477 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.155 -7.735 -6.677 1.00 0.00 H new ATOM 74 N LEU A 5 2.214 -2.398 -2.202 1.00 0.00 N ATOM 75 CA LEU A 5 1.194 -1.365 -2.279 1.00 0.00 C ATOM 76 C LEU A 5 1.448 -0.426 -3.458 1.00 0.00 C ATOM 77 O LEU A 5 2.553 0.089 -3.628 1.00 0.00 O ATOM 78 CB LEU A 5 1.156 -0.577 -0.966 1.00 0.00 C ATOM 79 CG LEU A 5 0.537 0.824 -1.052 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.863 0.755 -1.640 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.503 1.482 0.319 1.00 0.00 C ATOM 0 H LEU A 5 3.170 -2.055 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 5 0.228 -1.844 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.598 -1.157 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.175 -0.482 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 5 1.159 1.431 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.285 1.758 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.816 0.328 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.493 0.129 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.060 2.475 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.094 0.875 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.518 1.569 0.706 1.00 0.00 H new ATOM 93 N ILE A 6 0.414 -0.210 -4.264 1.00 0.00 N ATOM 94 CA ILE A 6 0.518 0.669 -5.423 1.00 0.00 C ATOM 95 C ILE A 6 -0.144 2.015 -5.147 1.00 0.00 C ATOM 96 O ILE A 6 -1.369 2.114 -5.083 1.00 0.00 O ATOM 97 CB ILE A 6 -0.116 0.026 -6.673 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.490 -1.352 -6.921 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.070 0.920 -7.892 1.00 0.00 C ATOM 100 CD1 ILE A 6 1.964 -1.303 -7.228 1.00 0.00 C ATOM 0 H ILE A 6 -0.506 -0.632 -4.136 1.00 0.00 H new ATOM 0 HA ILE A 6 1.579 0.828 -5.614 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.186 -0.090 -6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.329 -1.977 -6.043 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.032 -1.828 -7.751 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.385 0.447 -8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.406 1.884 -7.712 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.134 1.069 -8.075 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.335 -2.314 -7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.129 -0.704 -8.123 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.496 -0.855 -6.389 1.00 0.00 H new ATOM 112 N LEU A 7 0.677 3.047 -4.976 1.00 0.00 N ATOM 113 CA LEU A 7 0.174 4.388 -4.699 1.00 0.00 C ATOM 114 C LEU A 7 0.056 5.208 -5.979 1.00 0.00 C ATOM 115 O LEU A 7 1.034 5.386 -6.709 1.00 0.00 O ATOM 116 CB LEU A 7 1.092 5.104 -3.707 1.00 0.00 C ATOM 117 CG LEU A 7 1.267 4.401 -2.361 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.540 4.868 -1.676 1.00 0.00 C ATOM 119 CD2 LEU A 7 0.058 4.648 -1.471 1.00 0.00 C ATOM 0 H LEU A 7 1.694 2.980 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.820 4.289 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.073 5.225 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.698 6.104 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 7 1.349 3.329 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.647 4.356 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.398 4.639 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.489 5.944 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.199 4.140 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.055 5.718 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.837 4.262 -1.958 1.00 0.00 H new ATOM 131 N ASN A 8 -1.146 5.710 -6.243 1.00 0.00 N ATOM 132 CA ASN A 8 -1.397 6.518 -7.431 1.00 0.00 C ATOM 133 C ASN A 8 -2.051 7.844 -7.055 1.00 0.00 C ATOM 134 O ASN A 8 -3.253 7.903 -6.796 1.00 0.00 O ATOM 135 CB ASN A 8 -2.288 5.757 -8.418 1.00 0.00 C ATOM 136 CG ASN A 8 -1.908 6.018 -9.862 1.00 0.00 C ATOM 137 OD1 ASN A 8 -1.906 5.104 -10.688 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.584 7.262 -10.175 1.00 0.00 N ATOM 0 H ASN A 8 -1.963 5.571 -5.649 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.439 6.726 -7.907 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.220 4.688 -8.215 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.327 6.045 -8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.319 7.495 -11.132 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.599 7.988 -9.459 1.00 0.00 H new ATOM 145 N LEU A 9 -1.253 8.906 -7.025 1.00 0.00 N ATOM 146 CA LEU A 9 -1.760 10.226 -6.680 1.00 0.00 C ATOM 147 C LEU A 9 -1.877 11.111 -7.924 1.00 0.00 C ATOM 148 O LEU A 9 -1.568 10.678 -9.035 1.00 0.00 O ATOM 149 CB LEU A 9 -0.858 10.894 -5.640 1.00 0.00 C ATOM 150 CG LEU A 9 0.584 11.157 -6.094 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.000 12.582 -5.761 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.533 10.156 -5.448 1.00 0.00 C ATOM 0 H LEU A 9 -0.255 8.877 -7.235 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.755 10.102 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.308 11.843 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.832 10.267 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 9 0.634 11.032 -7.176 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.025 12.748 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.337 13.283 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.936 12.738 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.552 10.355 -5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.479 10.251 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.248 9.145 -5.738 1.00 0.00 H new ATOM 164 N LYS A 10 -2.339 12.340 -7.723 1.00 0.00 N ATOM 165 CA LYS A 10 -2.519 13.297 -8.824 1.00 0.00 C ATOM 166 C LYS A 10 -1.364 13.243 -9.827 1.00 0.00 C ATOM 167 O LYS A 10 -1.586 13.073 -11.026 1.00 0.00 O ATOM 168 CB LYS A 10 -2.653 14.717 -8.271 1.00 0.00 C ATOM 169 CG LYS A 10 -1.598 15.073 -7.235 1.00 0.00 C ATOM 170 CD LYS A 10 -2.098 16.142 -6.277 1.00 0.00 C ATOM 171 CE LYS A 10 -1.467 15.995 -4.901 1.00 0.00 C ATOM 172 NZ LYS A 10 -0.025 16.364 -4.908 1.00 0.00 N ATOM 0 H LYS A 10 -2.598 12.704 -6.806 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.432 13.017 -9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.592 15.426 -9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.641 14.832 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.321 14.180 -6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.697 15.425 -7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.870 17.129 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.183 16.076 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.999 16.625 -4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.576 14.966 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.367 16.250 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.488 15.746 -5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.079 17.354 -5.209 1.00 0.00 H new ATOM 186 N GLN A 11 -0.136 13.388 -9.337 1.00 0.00 N ATOM 187 CA GLN A 11 1.034 13.356 -10.207 1.00 0.00 C ATOM 188 C GLN A 11 2.218 12.667 -9.525 1.00 0.00 C ATOM 189 O GLN A 11 3.179 13.333 -9.125 1.00 0.00 O ATOM 190 CB GLN A 11 1.419 14.779 -10.624 1.00 0.00 C ATOM 191 CG GLN A 11 0.871 15.181 -11.992 1.00 0.00 C ATOM 192 CD GLN A 11 1.964 15.606 -12.954 1.00 0.00 C ATOM 193 OE1 GLN A 11 2.515 16.695 -12.839 1.00 0.00 O ATOM 194 NE2 GLN A 11 2.280 14.733 -13.906 1.00 0.00 N ATOM 0 H GLN A 11 0.073 13.528 -8.349 1.00 0.00 H new ATOM 0 HA GLN A 11 0.777 12.779 -11.095 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.053 15.481 -9.874 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.506 14.864 -10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.321 14.343 -12.420 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.161 15.999 -11.869 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.792 13.839 -13.960 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.010 14.958 -14.582 1.00 0.00 H new ATOM 203 N ALA A 12 2.148 11.350 -9.412 1.00 0.00 N ATOM 204 CA ALA A 12 3.217 10.564 -8.789 1.00 0.00 C ATOM 205 C ALA A 12 2.773 9.129 -8.546 1.00 0.00 C ATOM 206 O ALA A 12 1.605 8.866 -8.251 1.00 0.00 O ATOM 207 CB ALA A 12 3.667 11.208 -7.483 1.00 0.00 C ATOM 0 H ALA A 12 1.360 10.794 -9.744 1.00 0.00 H new ATOM 0 HA ALA A 12 4.062 10.546 -9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.461 10.609 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.039 12.213 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.823 11.263 -6.795 1.00 0.00 H new ATOM 213 N LYS A 13 3.713 8.195 -8.662 1.00 0.00 N ATOM 214 CA LYS A 13 3.423 6.787 -8.455 1.00 0.00 C ATOM 215 C LYS A 13 4.522 6.127 -7.627 1.00 0.00 C ATOM 216 O LYS A 13 5.629 5.902 -8.115 1.00 0.00 O ATOM 217 CB LYS A 13 3.278 6.068 -9.799 1.00 0.00 C ATOM 218 CG LYS A 13 3.070 4.575 -9.679 1.00 0.00 C ATOM 219 CD LYS A 13 2.861 3.925 -11.038 1.00 0.00 C ATOM 220 CE LYS A 13 1.598 3.078 -11.065 1.00 0.00 C ATOM 221 NZ LYS A 13 0.374 3.897 -10.847 1.00 0.00 N ATOM 0 H LYS A 13 4.685 8.393 -8.899 1.00 0.00 H new ATOM 0 HA LYS A 13 2.482 6.710 -7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.436 6.499 -10.341 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.171 6.253 -10.397 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.934 4.125 -9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.206 4.378 -9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.799 4.697 -11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.722 3.303 -11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.525 2.565 -12.024 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.661 2.308 -10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.432 3.453 -11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.174 3.958 -9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.523 4.853 -11.228 1.00 0.00 H new ATOM 235 N GLU A 14 4.209 5.820 -6.371 1.00 0.00 N ATOM 236 CA GLU A 14 5.173 5.187 -5.477 1.00 0.00 C ATOM 237 C GLU A 14 4.681 3.815 -5.027 1.00 0.00 C ATOM 238 O GLU A 14 3.477 3.575 -4.936 1.00 0.00 O ATOM 239 CB GLU A 14 5.428 6.078 -4.258 1.00 0.00 C ATOM 240 CG GLU A 14 6.899 6.207 -3.898 1.00 0.00 C ATOM 241 CD GLU A 14 7.744 6.684 -5.063 1.00 0.00 C ATOM 242 OE1 GLU A 14 7.199 7.378 -5.944 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.950 6.361 -5.092 1.00 0.00 O ATOM 0 H GLU A 14 3.297 5.999 -5.950 1.00 0.00 H new ATOM 0 HA GLU A 14 6.106 5.054 -6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.021 7.070 -4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.887 5.673 -3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.006 6.904 -3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.271 5.242 -3.555 1.00 0.00 H new ATOM 250 N GLU A 15 5.621 2.916 -4.750 1.00 0.00 N ATOM 251 CA GLU A 15 5.281 1.565 -4.312 1.00 0.00 C ATOM 252 C GLU A 15 5.756 1.313 -2.886 1.00 0.00 C ATOM 253 O GLU A 15 6.922 1.533 -2.559 1.00 0.00 O ATOM 254 CB GLU A 15 5.903 0.529 -5.249 1.00 0.00 C ATOM 255 CG GLU A 15 5.252 0.483 -6.621 1.00 0.00 C ATOM 256 CD GLU A 15 5.581 -0.788 -7.379 1.00 0.00 C ATOM 257 OE1 GLU A 15 5.307 -1.884 -6.847 1.00 0.00 O ATOM 258 OE2 GLU A 15 6.113 -0.687 -8.505 1.00 0.00 O ATOM 0 H GLU A 15 6.622 3.097 -4.821 1.00 0.00 H new ATOM 0 HA GLU A 15 4.195 1.471 -4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.964 0.748 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.830 -0.456 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.171 0.566 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.579 1.344 -7.204 1.00 0.00 H new ATOM 265 N ALA A 16 4.845 0.837 -2.046 1.00 0.00 N ATOM 266 CA ALA A 16 5.168 0.534 -0.657 1.00 0.00 C ATOM 267 C ALA A 16 5.168 -0.971 -0.434 1.00 0.00 C ATOM 268 O ALA A 16 4.306 -1.680 -0.949 1.00 0.00 O ATOM 269 CB ALA A 16 4.180 1.216 0.278 1.00 0.00 C ATOM 0 H ALA A 16 3.875 0.652 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 16 6.165 0.916 -0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.435 0.980 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.225 2.295 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.172 0.862 0.063 1.00 0.00 H new ATOM 275 N ILE A 17 6.138 -1.461 0.328 1.00 0.00 N ATOM 276 CA ILE A 17 6.232 -2.892 0.597 1.00 0.00 C ATOM 277 C ILE A 17 6.765 -3.170 1.995 1.00 0.00 C ATOM 278 O ILE A 17 7.343 -2.293 2.640 1.00 0.00 O ATOM 279 CB ILE A 17 7.106 -3.614 -0.458 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.600 -3.317 -0.257 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.674 -3.208 -1.861 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.504 -4.427 -0.748 1.00 0.00 C ATOM 0 H ILE A 17 6.865 -0.896 0.767 1.00 0.00 H new ATOM 0 HA ILE A 17 5.218 -3.288 0.534 1.00 0.00 H new ATOM 0 HB ILE A 17 6.962 -4.687 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.853 -2.394 -0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.790 -3.146 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.295 -3.721 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.630 -3.481 -2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.788 -2.130 -1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.545 -4.152 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.277 -5.346 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.342 -4.583 -1.814 1.00 0.00 H new ATOM 294 N LYS A 18 6.554 -4.394 2.459 1.00 0.00 N ATOM 295 CA LYS A 18 6.997 -4.795 3.786 1.00 0.00 C ATOM 296 C LYS A 18 6.878 -6.307 3.959 1.00 0.00 C ATOM 297 O LYS A 18 5.914 -6.921 3.499 1.00 0.00 O ATOM 298 CB LYS A 18 6.162 -4.061 4.841 1.00 0.00 C ATOM 299 CG LYS A 18 6.323 -4.595 6.258 1.00 0.00 C ATOM 300 CD LYS A 18 7.128 -3.640 7.126 1.00 0.00 C ATOM 301 CE LYS A 18 8.593 -4.020 7.150 1.00 0.00 C ATOM 302 NZ LYS A 18 9.359 -3.354 6.061 1.00 0.00 N ATOM 0 H LYS A 18 6.078 -5.128 1.934 1.00 0.00 H new ATOM 0 HA LYS A 18 8.046 -4.528 3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.434 -3.005 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.110 -4.122 4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.340 -4.752 6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.818 -5.566 6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.020 -2.623 6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.732 -3.647 8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.022 -3.748 8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.689 -5.101 7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.034 -4.029 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.702 -3.027 5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.877 -2.540 6.449 1.00 0.00 H new ATOM 316 N GLU A 19 7.864 -6.903 4.624 1.00 0.00 N ATOM 317 CA GLU A 19 7.869 -8.342 4.857 1.00 0.00 C ATOM 318 C GLU A 19 7.441 -8.667 6.284 1.00 0.00 C ATOM 319 O GLU A 19 8.118 -8.299 7.243 1.00 0.00 O ATOM 320 CB GLU A 19 9.252 -8.918 4.586 1.00 0.00 C ATOM 321 CG GLU A 19 10.336 -8.357 5.500 1.00 0.00 C ATOM 322 CD GLU A 19 11.545 -7.858 4.737 1.00 0.00 C ATOM 323 OE1 GLU A 19 12.339 -8.702 4.263 1.00 0.00 O ATOM 324 OE2 GLU A 19 11.701 -6.626 4.613 1.00 0.00 O ATOM 0 H GLU A 19 8.669 -6.411 5.011 1.00 0.00 H new ATOM 0 HA GLU A 19 7.153 -8.796 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.215 -10.001 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.523 -8.718 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.921 -7.539 6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.649 -9.130 6.202 1.00 0.00 H new ATOM 331 N ALA A 20 6.314 -9.359 6.415 1.00 0.00 N ATOM 332 CA ALA A 20 5.797 -9.734 7.726 1.00 0.00 C ATOM 333 C ALA A 20 5.233 -11.150 7.709 1.00 0.00 C ATOM 334 O ALA A 20 5.104 -11.767 6.651 1.00 0.00 O ATOM 335 CB ALA A 20 4.734 -8.744 8.176 1.00 0.00 C ATOM 0 H ALA A 20 5.742 -9.671 5.630 1.00 0.00 H new ATOM 0 HA ALA A 20 6.623 -9.710 8.436 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.357 -9.036 9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.169 -7.746 8.237 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.914 -8.739 7.458 1.00 0.00 H new ATOM 341 N VAL A 21 4.900 -11.663 8.890 1.00 0.00 N ATOM 342 CA VAL A 21 4.351 -13.010 9.014 1.00 0.00 C ATOM 343 C VAL A 21 2.823 -13.003 8.976 1.00 0.00 C ATOM 344 O VAL A 21 2.181 -13.947 9.437 1.00 0.00 O ATOM 345 CB VAL A 21 4.816 -13.685 10.317 1.00 0.00 C ATOM 346 CG1 VAL A 21 6.299 -14.009 10.253 1.00 0.00 C ATOM 347 CG2 VAL A 21 4.508 -12.797 11.514 1.00 0.00 C ATOM 0 H VAL A 21 5.001 -11.166 9.775 1.00 0.00 H new ATOM 0 HA VAL A 21 4.724 -13.576 8.160 1.00 0.00 H new ATOM 0 HB VAL A 21 4.270 -14.621 10.435 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.608 -14.485 11.183 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.488 -14.685 9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.867 -13.089 10.111 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.843 -13.289 12.427 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.026 -11.845 11.403 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.434 -12.621 11.570 1.00 0.00 H new ATOM 357 N ASP A 22 2.244 -11.939 8.426 1.00 0.00 N ATOM 358 CA ASP A 22 0.793 -11.822 8.336 1.00 0.00 C ATOM 359 C ASP A 22 0.401 -10.581 7.538 1.00 0.00 C ATOM 360 O ASP A 22 1.237 -9.974 6.870 1.00 0.00 O ATOM 361 CB ASP A 22 0.177 -11.764 9.734 1.00 0.00 C ATOM 362 CG ASP A 22 -1.117 -12.548 9.830 1.00 0.00 C ATOM 363 OD1 ASP A 22 -1.167 -13.678 9.298 1.00 0.00 O ATOM 364 OD2 ASP A 22 -2.080 -12.034 10.437 1.00 0.00 O ATOM 0 H ASP A 22 2.757 -11.148 8.037 1.00 0.00 H new ATOM 0 HA ASP A 22 0.410 -12.702 7.818 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.891 -12.156 10.459 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.011 -10.724 10.002 1.00 0.00 H new ATOM 369 N ALA A 23 -0.874 -10.205 7.613 1.00 0.00 N ATOM 370 CA ALA A 23 -1.363 -9.035 6.895 1.00 0.00 C ATOM 371 C ALA A 23 -1.556 -7.851 7.835 1.00 0.00 C ATOM 372 O ALA A 23 -1.278 -6.708 7.472 1.00 0.00 O ATOM 373 CB ALA A 23 -2.665 -9.356 6.181 1.00 0.00 C ATOM 0 H ALA A 23 -1.583 -10.692 8.162 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.612 -8.760 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.016 -8.471 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.500 -10.165 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.414 -9.662 6.911 1.00 0.00 H new ATOM 379 N GLY A 24 -2.030 -8.130 9.047 1.00 0.00 N ATOM 380 CA GLY A 24 -2.245 -7.071 10.018 1.00 0.00 C ATOM 381 C GLY A 24 -1.047 -6.153 10.139 1.00 0.00 C ATOM 382 O GLY A 24 -1.191 -4.953 10.377 1.00 0.00 O ATOM 0 H GLY A 24 -2.268 -9.067 9.373 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.119 -6.488 9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.463 -7.511 10.991 1.00 0.00 H new ATOM 386 N THR A 25 0.141 -6.723 9.962 1.00 0.00 N ATOM 387 CA THR A 25 1.377 -5.956 10.037 1.00 0.00 C ATOM 388 C THR A 25 1.632 -5.221 8.726 1.00 0.00 C ATOM 389 O THR A 25 2.268 -4.168 8.708 1.00 0.00 O ATOM 390 CB THR A 25 2.556 -6.876 10.360 1.00 0.00 C ATOM 391 OG1 THR A 25 2.162 -7.898 11.260 1.00 0.00 O ATOM 392 CG2 THR A 25 3.730 -6.148 10.975 1.00 0.00 C ATOM 0 H THR A 25 0.273 -7.715 9.765 1.00 0.00 H new ATOM 0 HA THR A 25 1.275 -5.220 10.835 1.00 0.00 H new ATOM 0 HB THR A 25 2.870 -7.293 9.403 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.929 -8.477 11.453 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.532 -6.858 11.180 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.088 -5.386 10.283 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.418 -5.675 11.906 1.00 0.00 H new ATOM 400 N ALA A 26 1.124 -5.780 7.630 1.00 0.00 N ATOM 401 CA ALA A 26 1.293 -5.170 6.318 1.00 0.00 C ATOM 402 C ALA A 26 0.303 -4.030 6.126 1.00 0.00 C ATOM 403 O ALA A 26 0.650 -2.976 5.593 1.00 0.00 O ATOM 404 CB ALA A 26 1.126 -6.214 5.223 1.00 0.00 C ATOM 0 H ALA A 26 0.594 -6.651 7.626 1.00 0.00 H new ATOM 0 HA ALA A 26 2.301 -4.761 6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.255 -5.743 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.874 -6.997 5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.129 -6.651 5.286 1.00 0.00 H new ATOM 410 N GLU A 27 -0.931 -4.247 6.570 1.00 0.00 N ATOM 411 CA GLU A 27 -1.973 -3.234 6.455 1.00 0.00 C ATOM 412 C GLU A 27 -1.642 -2.026 7.325 1.00 0.00 C ATOM 413 O GLU A 27 -1.521 -0.906 6.828 1.00 0.00 O ATOM 414 CB GLU A 27 -3.328 -3.817 6.863 1.00 0.00 C ATOM 415 CG GLU A 27 -4.477 -2.830 6.740 1.00 0.00 C ATOM 416 CD GLU A 27 -5.736 -3.310 7.435 1.00 0.00 C ATOM 417 OE1 GLU A 27 -5.900 -3.014 8.637 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.556 -3.984 6.778 1.00 0.00 O ATOM 0 H GLU A 27 -1.233 -5.115 7.012 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.026 -2.912 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.541 -4.688 6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.268 -4.166 7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.175 -1.872 7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.692 -2.658 5.685 1.00 0.00 H new ATOM 425 N LYS A 28 -1.492 -2.262 8.626 1.00 0.00 N ATOM 426 CA LYS A 28 -1.168 -1.194 9.566 1.00 0.00 C ATOM 427 C LYS A 28 0.097 -0.451 9.138 1.00 0.00 C ATOM 428 O LYS A 28 0.177 0.772 9.250 1.00 0.00 O ATOM 429 CB LYS A 28 -0.990 -1.763 10.974 1.00 0.00 C ATOM 430 CG LYS A 28 -2.251 -1.696 11.821 1.00 0.00 C ATOM 431 CD LYS A 28 -2.219 -2.715 12.949 1.00 0.00 C ATOM 432 CE LYS A 28 -3.524 -2.724 13.731 1.00 0.00 C ATOM 433 NZ LYS A 28 -3.296 -2.913 15.189 1.00 0.00 N ATOM 0 H LYS A 28 -1.590 -3.183 9.053 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.996 -0.485 9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.667 -2.801 10.899 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.193 -1.217 11.479 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.358 -0.694 12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.123 -1.875 11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.033 -3.708 12.539 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.392 -2.488 13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.053 -1.786 13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.166 -3.522 13.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.210 -2.913 15.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.814 -3.820 15.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.705 -2.138 15.551 1.00 0.00 H new ATOM 447 N TYR A 29 1.079 -1.196 8.638 1.00 0.00 N ATOM 448 CA TYR A 29 2.334 -0.598 8.189 1.00 0.00 C ATOM 449 C TYR A 29 2.113 0.176 6.892 1.00 0.00 C ATOM 450 O TYR A 29 2.603 1.294 6.732 1.00 0.00 O ATOM 451 CB TYR A 29 3.410 -1.673 7.992 1.00 0.00 C ATOM 452 CG TYR A 29 4.702 -1.142 7.411 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.854 -0.966 6.039 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.774 -0.819 8.235 1.00 0.00 C ATOM 455 CE1 TYR A 29 6.035 -0.482 5.509 1.00 0.00 C ATOM 456 CE2 TYR A 29 6.958 -0.336 7.711 1.00 0.00 C ATOM 457 CZ TYR A 29 7.083 -0.169 6.349 1.00 0.00 C ATOM 458 OH TYR A 29 8.261 0.312 5.824 1.00 0.00 O ATOM 0 H TYR A 29 1.031 -2.210 8.534 1.00 0.00 H new ATOM 0 HA TYR A 29 2.680 0.093 8.957 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.620 -2.144 8.952 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.019 -2.450 7.335 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.036 -1.212 5.378 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.680 -0.948 9.303 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.137 -0.350 4.442 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.781 -0.091 8.366 1.00 0.00 H new ATOM 0 HH TYR A 29 8.897 0.484 6.550 1.00 0.00 H new ATOM 468 N PHE A 30 1.353 -0.420 5.975 1.00 0.00 N ATOM 469 CA PHE A 30 1.051 0.226 4.703 1.00 0.00 C ATOM 470 C PHE A 30 0.252 1.497 4.949 1.00 0.00 C ATOM 471 O PHE A 30 0.516 2.540 4.352 1.00 0.00 O ATOM 472 CB PHE A 30 0.266 -0.723 3.788 1.00 0.00 C ATOM 473 CG PHE A 30 1.123 -1.577 2.886 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.505 -1.610 3.019 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.534 -2.353 1.900 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.278 -2.396 2.186 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.305 -3.142 1.064 1.00 0.00 C ATOM 478 CZ PHE A 30 2.677 -3.164 1.208 1.00 0.00 C ATOM 0 H PHE A 30 0.938 -1.345 6.090 1.00 0.00 H new ATOM 0 HA PHE A 30 1.988 0.481 4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.350 -1.376 4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.413 -0.134 3.171 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.982 -1.014 3.783 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.540 -2.342 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.352 -2.410 2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.833 -3.740 0.299 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.280 -3.780 0.557 1.00 0.00 H new ATOM 488 N LYS A 31 -0.726 1.401 5.845 1.00 0.00 N ATOM 489 CA LYS A 31 -1.564 2.542 6.188 1.00 0.00 C ATOM 490 C LYS A 31 -0.720 3.711 6.697 1.00 0.00 C ATOM 491 O LYS A 31 -1.046 4.873 6.457 1.00 0.00 O ATOM 492 CB LYS A 31 -2.594 2.139 7.245 1.00 0.00 C ATOM 493 CG LYS A 31 -3.834 3.020 7.255 1.00 0.00 C ATOM 494 CD LYS A 31 -4.021 3.711 8.597 1.00 0.00 C ATOM 495 CE LYS A 31 -5.079 3.018 9.438 1.00 0.00 C ATOM 496 NZ LYS A 31 -4.994 3.411 10.872 1.00 0.00 N ATOM 0 H LYS A 31 -0.957 0.543 6.346 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.084 2.865 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.894 1.106 7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.126 2.174 8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.755 3.769 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.713 2.415 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.074 3.721 9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.307 4.750 8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.068 3.264 9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.962 1.938 9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.733 2.917 11.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.059 3.153 11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.131 4.438 10.959 1.00 0.00 H new ATOM 510 N LEU A 32 0.366 3.399 7.405 1.00 0.00 N ATOM 511 CA LEU A 32 1.248 4.425 7.945 1.00 0.00 C ATOM 512 C LEU A 32 2.017 5.135 6.831 1.00 0.00 C ATOM 513 O LEU A 32 2.217 6.350 6.882 1.00 0.00 O ATOM 514 CB LEU A 32 2.225 3.803 8.949 1.00 0.00 C ATOM 515 CG LEU A 32 1.603 3.285 10.258 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.252 3.964 11.451 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.094 3.496 10.290 1.00 0.00 C ATOM 0 H LEU A 32 0.653 2.443 7.616 1.00 0.00 H new ATOM 0 HA LEU A 32 0.633 5.167 8.455 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.739 2.975 8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.982 4.546 9.198 1.00 0.00 H new ATOM 0 HG LEU A 32 1.788 2.212 10.309 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.804 3.589 12.371 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.321 3.750 11.455 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.098 5.041 11.385 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.307 3.117 11.230 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.127 4.560 10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.366 2.962 9.458 1.00 0.00 H new ATOM 529 N ILE A 33 2.441 4.375 5.822 1.00 0.00 N ATOM 530 CA ILE A 33 3.181 4.946 4.703 1.00 0.00 C ATOM 531 C ILE A 33 2.236 5.582 3.692 1.00 0.00 C ATOM 532 O ILE A 33 2.547 6.616 3.102 1.00 0.00 O ATOM 533 CB ILE A 33 4.047 3.880 3.998 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.917 4.529 2.917 1.00 0.00 C ATOM 535 CG2 ILE A 33 3.174 2.789 3.400 1.00 0.00 C ATOM 536 CD1 ILE A 33 6.340 4.785 3.361 1.00 0.00 C ATOM 0 H ILE A 33 2.285 3.369 5.758 1.00 0.00 H new ATOM 0 HA ILE A 33 3.837 5.715 5.111 1.00 0.00 H new ATOM 0 HB ILE A 33 4.702 3.423 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.929 3.886 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.464 5.473 2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.804 2.048 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.599 2.308 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.492 3.227 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.898 5.246 2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.338 5.453 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.811 3.841 3.635 1.00 0.00 H new ATOM 548 N ALA A 34 1.077 4.962 3.501 1.00 0.00 N ATOM 549 CA ALA A 34 0.085 5.474 2.567 1.00 0.00 C ATOM 550 C ALA A 34 -0.406 6.848 3.006 1.00 0.00 C ATOM 551 O ALA A 34 -0.228 7.837 2.298 1.00 0.00 O ATOM 552 CB ALA A 34 -1.081 4.505 2.450 1.00 0.00 C ATOM 0 H ALA A 34 0.803 4.105 3.981 1.00 0.00 H new ATOM 0 HA ALA A 34 0.553 5.574 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.815 4.902 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.719 3.542 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.546 4.376 3.427 1.00 0.00 H new ATOM 558 N ASN A 35 -1.024 6.899 4.182 1.00 0.00 N ATOM 559 CA ASN A 35 -1.540 8.152 4.722 1.00 0.00 C ATOM 560 C ASN A 35 -0.429 9.195 4.852 1.00 0.00 C ATOM 561 O ASN A 35 -0.656 10.384 4.627 1.00 0.00 O ATOM 562 CB ASN A 35 -2.196 7.909 6.084 1.00 0.00 C ATOM 563 CG ASN A 35 -3.695 8.150 6.062 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.127 9.191 5.355 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -4.460 7.406 6.677 1.00 0.00 N flip ATOM 0 H ASN A 35 -1.180 6.087 4.779 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.288 8.537 4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.001 6.884 6.399 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.738 8.563 6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.088 6.618 7.208 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.465 7.578 6.656 1.00 0.00 H new ATOM 572 N ALA A 36 0.768 8.746 5.222 1.00 0.00 N ATOM 573 CA ALA A 36 1.903 9.647 5.383 1.00 0.00 C ATOM 574 C ALA A 36 2.368 10.209 4.041 1.00 0.00 C ATOM 575 O ALA A 36 2.988 11.270 3.986 1.00 0.00 O ATOM 576 CB ALA A 36 3.049 8.930 6.081 1.00 0.00 C ATOM 0 H ALA A 36 0.975 7.766 5.415 1.00 0.00 H new ATOM 0 HA ALA A 36 1.578 10.485 5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.890 9.614 6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.721 8.591 7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.358 8.071 5.485 1.00 0.00 H new ATOM 582 N LYS A 37 2.070 9.490 2.961 1.00 0.00 N ATOM 583 CA LYS A 37 2.466 9.923 1.626 1.00 0.00 C ATOM 584 C LYS A 37 1.305 10.588 0.892 1.00 0.00 C ATOM 585 O LYS A 37 1.506 11.485 0.083 1.00 0.00 O ATOM 586 CB LYS A 37 2.983 8.733 0.814 1.00 0.00 C ATOM 587 CG LYS A 37 4.359 8.253 1.246 1.00 0.00 C ATOM 588 CD LYS A 37 5.247 7.949 0.050 1.00 0.00 C ATOM 589 CE LYS A 37 5.712 9.222 -0.638 1.00 0.00 C ATOM 590 NZ LYS A 37 6.211 10.229 0.337 1.00 0.00 N ATOM 0 H LYS A 37 1.558 8.608 2.985 1.00 0.00 H new ATOM 0 HA LYS A 37 3.264 10.657 1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.275 7.909 0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.018 9.011 -0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.832 9.014 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.257 7.359 1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.113 7.373 0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.701 7.329 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.503 8.982 -1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.887 9.648 -1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.883 10.867 -0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.411 10.781 0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.689 9.744 1.123 1.00 0.00 H new ATOM 604 N THR A 38 0.089 10.135 1.179 1.00 0.00 N ATOM 605 CA THR A 38 -1.101 10.688 0.542 1.00 0.00 C ATOM 606 C THR A 38 -2.287 10.681 1.502 1.00 0.00 C ATOM 607 O THR A 38 -2.158 10.293 2.662 1.00 0.00 O ATOM 608 CB THR A 38 -1.447 9.892 -0.717 1.00 0.00 C ATOM 609 OG1 THR A 38 -1.065 8.536 -0.576 1.00 0.00 O ATOM 610 CG2 THR A 38 -0.780 10.426 -1.965 1.00 0.00 C ATOM 0 H THR A 38 -0.098 9.388 1.847 1.00 0.00 H new ATOM 0 HA THR A 38 -0.887 11.720 0.265 1.00 0.00 H new ATOM 0 HB THR A 38 -2.527 9.989 -0.830 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.297 8.044 -1.391 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.068 9.816 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.093 11.457 -2.132 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.303 10.391 -1.842 1.00 0.00 H new ATOM 618 N VAL A 39 -3.443 11.114 1.010 1.00 0.00 N ATOM 619 CA VAL A 39 -4.652 11.159 1.822 1.00 0.00 C ATOM 620 C VAL A 39 -5.903 11.050 0.957 1.00 0.00 C ATOM 621 O VAL A 39 -6.912 11.704 1.222 1.00 0.00 O ATOM 622 CB VAL A 39 -4.723 12.457 2.650 1.00 0.00 C ATOM 623 CG1 VAL A 39 -3.580 12.517 3.652 1.00 0.00 C ATOM 624 CG2 VAL A 39 -4.705 13.666 1.742 1.00 0.00 C ATOM 0 H VAL A 39 -3.567 11.439 0.051 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.610 10.306 2.499 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.661 12.461 3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.648 13.441 4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.643 11.664 4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.629 12.489 3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.756 14.574 2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.785 13.669 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.562 13.628 1.069 1.00 0.00 H new ATOM 634 N GLU A 40 -5.832 10.222 -0.079 1.00 0.00 N ATOM 635 CA GLU A 40 -6.960 10.031 -0.984 1.00 0.00 C ATOM 636 C GLU A 40 -6.664 8.939 -2.007 1.00 0.00 C ATOM 637 O GLU A 40 -5.578 8.900 -2.588 1.00 0.00 O ATOM 638 CB GLU A 40 -7.291 11.338 -1.701 1.00 0.00 C ATOM 639 CG GLU A 40 -8.782 11.610 -1.808 1.00 0.00 C ATOM 640 CD GLU A 40 -9.084 13.025 -2.259 1.00 0.00 C ATOM 641 OE1 GLU A 40 -8.242 13.914 -2.020 1.00 0.00 O ATOM 642 OE2 GLU A 40 -10.162 13.242 -2.850 1.00 0.00 O ATOM 0 H GLU A 40 -5.005 9.672 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.819 9.721 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.816 12.164 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.862 11.313 -2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.227 10.906 -2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.251 11.433 -0.840 1.00 0.00 H new ATOM 649 N GLY A 41 -7.632 8.058 -2.223 1.00 0.00 N ATOM 650 CA GLY A 41 -7.450 6.978 -3.179 1.00 0.00 C ATOM 651 C GLY A 41 -8.451 5.855 -2.987 1.00 0.00 C ATOM 652 O GLY A 41 -9.208 5.845 -2.016 1.00 0.00 O ATOM 0 H GLY A 41 -8.539 8.070 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.543 7.373 -4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.440 6.580 -3.084 1.00 0.00 H new ATOM 656 N VAL A 42 -8.446 4.901 -3.912 1.00 0.00 N ATOM 657 CA VAL A 42 -9.346 3.759 -3.842 1.00 0.00 C ATOM 658 C VAL A 42 -8.601 2.540 -3.331 1.00 0.00 C ATOM 659 O VAL A 42 -7.770 1.962 -4.031 1.00 0.00 O ATOM 660 CB VAL A 42 -9.979 3.436 -5.211 1.00 0.00 C ATOM 661 CG1 VAL A 42 -11.160 2.492 -5.041 1.00 0.00 C ATOM 662 CG2 VAL A 42 -10.405 4.712 -5.922 1.00 0.00 C ATOM 0 H VAL A 42 -7.825 4.898 -4.722 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.149 4.021 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.230 2.940 -5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.595 2.274 -6.016 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.821 1.564 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.911 2.960 -4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.849 4.461 -6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.137 5.241 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.535 5.349 -6.079 1.00 0.00 H new ATOM 672 N TRP A 43 -8.900 2.174 -2.094 1.00 0.00 N ATOM 673 CA TRP A 43 -8.277 1.051 -1.439 1.00 0.00 C ATOM 674 C TRP A 43 -8.713 -0.271 -2.061 1.00 0.00 C ATOM 675 O TRP A 43 -9.896 -0.615 -2.050 1.00 0.00 O ATOM 676 CB TRP A 43 -8.662 1.098 0.034 1.00 0.00 C ATOM 677 CG TRP A 43 -7.645 1.792 0.903 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.558 3.140 1.151 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.565 1.186 1.635 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.506 3.400 1.989 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.881 2.223 2.301 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.110 -0.132 1.795 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.774 1.994 3.109 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -4.991 -0.358 2.614 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.347 0.705 3.254 1.00 0.00 C ATOM 0 H TRP A 43 -9.589 2.657 -1.518 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.195 1.115 -1.556 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.621 1.607 0.134 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.803 0.080 0.397 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.223 3.887 0.744 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.232 4.323 2.326 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.608 -0.953 1.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.268 2.809 3.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.624 -1.365 2.751 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.490 0.502 3.879 1.00 0.00 H new ATOM 696 N THR A 44 -7.750 -1.012 -2.595 1.00 0.00 N ATOM 697 CA THR A 44 -8.026 -2.303 -3.217 1.00 0.00 C ATOM 698 C THR A 44 -6.899 -3.284 -2.914 1.00 0.00 C ATOM 699 O THR A 44 -5.828 -2.883 -2.467 1.00 0.00 O ATOM 700 CB THR A 44 -8.190 -2.144 -4.729 1.00 0.00 C ATOM 701 OG1 THR A 44 -7.387 -1.083 -5.211 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.618 -1.866 -5.149 1.00 0.00 C ATOM 0 H THR A 44 -6.767 -0.740 -2.610 1.00 0.00 H new ATOM 0 HA THR A 44 -8.956 -2.694 -2.805 1.00 0.00 H new ATOM 0 HB THR A 44 -7.881 -3.098 -5.156 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.505 -0.998 -6.180 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.665 -1.764 -6.233 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.257 -2.691 -4.834 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.961 -0.943 -4.682 1.00 0.00 H new ATOM 710 N TYR A 45 -7.141 -4.569 -3.159 1.00 0.00 N ATOM 711 CA TYR A 45 -6.125 -5.586 -2.907 1.00 0.00 C ATOM 712 C TYR A 45 -6.164 -6.684 -3.965 1.00 0.00 C ATOM 713 O TYR A 45 -7.224 -7.223 -4.284 1.00 0.00 O ATOM 714 CB TYR A 45 -6.279 -6.173 -1.489 1.00 0.00 C ATOM 715 CG TYR A 45 -5.803 -7.604 -1.340 1.00 0.00 C ATOM 716 CD1 TYR A 45 -6.570 -8.668 -1.802 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.587 -7.891 -0.729 1.00 0.00 C ATOM 718 CE1 TYR A 45 -6.139 -9.973 -1.661 1.00 0.00 C ATOM 719 CE2 TYR A 45 -4.151 -9.194 -0.584 1.00 0.00 C ATOM 720 CZ TYR A 45 -4.930 -10.230 -1.050 1.00 0.00 C ATOM 721 OH TYR A 45 -4.499 -11.530 -0.908 1.00 0.00 O ATOM 0 H TYR A 45 -8.022 -4.928 -3.528 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.148 -5.106 -2.970 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.726 -5.546 -0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.329 -6.122 -1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.519 -8.471 -2.279 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.973 -7.082 -0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.746 -10.788 -2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.204 -9.399 -0.107 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.029 -12.116 -1.488 1.00 0.00 H new ATOM 731 N LYS A 46 -4.991 -7.010 -4.500 1.00 0.00 N ATOM 732 CA LYS A 46 -4.873 -8.045 -5.519 1.00 0.00 C ATOM 733 C LYS A 46 -4.566 -9.393 -4.875 1.00 0.00 C ATOM 734 O LYS A 46 -3.638 -9.512 -4.068 1.00 0.00 O ATOM 735 CB LYS A 46 -3.778 -7.693 -6.533 1.00 0.00 C ATOM 736 CG LYS A 46 -3.742 -6.219 -6.913 1.00 0.00 C ATOM 737 CD LYS A 46 -4.524 -5.956 -8.191 1.00 0.00 C ATOM 738 CE LYS A 46 -3.875 -6.627 -9.390 1.00 0.00 C ATOM 739 NZ LYS A 46 -4.880 -7.298 -10.253 1.00 0.00 N ATOM 0 H LYS A 46 -4.107 -6.570 -4.243 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.826 -8.109 -6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.810 -7.976 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.926 -8.287 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.158 -5.622 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.708 -5.901 -7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.544 -6.322 -8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.588 -4.882 -8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.332 -5.884 -9.974 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.144 -7.359 -9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.401 -7.745 -11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.381 -8.024 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.563 -6.595 -10.601 1.00 0.00 H new ATOM 753 N ASP A 47 -5.356 -10.400 -5.241 1.00 0.00 N ATOM 754 CA ASP A 47 -5.187 -11.748 -4.710 1.00 0.00 C ATOM 755 C ASP A 47 -4.224 -12.555 -5.572 1.00 0.00 C ATOM 756 O ASP A 47 -4.517 -12.868 -6.725 1.00 0.00 O ATOM 757 CB ASP A 47 -6.538 -12.459 -4.628 1.00 0.00 C ATOM 758 CG ASP A 47 -6.609 -13.432 -3.467 1.00 0.00 C ATOM 759 OD1 ASP A 47 -5.609 -14.139 -3.222 1.00 0.00 O ATOM 760 OD2 ASP A 47 -7.666 -13.488 -2.803 1.00 0.00 O ATOM 0 H ASP A 47 -6.123 -10.305 -5.907 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.767 -11.667 -3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.330 -11.717 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.721 -12.995 -5.559 1.00 0.00 H new ATOM 765 N GLU A 48 -3.074 -12.889 -4.996 1.00 0.00 N ATOM 766 CA GLU A 48 -2.045 -13.661 -5.688 1.00 0.00 C ATOM 767 C GLU A 48 -0.729 -13.593 -4.927 1.00 0.00 C ATOM 768 O GLU A 48 -0.233 -14.604 -4.429 1.00 0.00 O ATOM 769 CB GLU A 48 -1.844 -13.164 -7.128 1.00 0.00 C ATOM 770 CG GLU A 48 -1.831 -11.649 -7.274 1.00 0.00 C ATOM 771 CD GLU A 48 -2.494 -11.183 -8.558 1.00 0.00 C ATOM 772 OE1 GLU A 48 -1.875 -11.330 -9.634 1.00 0.00 O ATOM 773 OE2 GLU A 48 -3.630 -10.668 -8.484 1.00 0.00 O ATOM 0 H GLU A 48 -2.828 -12.634 -4.040 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.381 -14.697 -5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.903 -13.562 -7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.638 -13.570 -7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.342 -11.201 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.801 -11.294 -7.251 1.00 0.00 H new ATOM 780 N ILE A 49 -0.178 -12.388 -4.820 1.00 0.00 N ATOM 781 CA ILE A 49 1.067 -12.178 -4.098 1.00 0.00 C ATOM 782 C ILE A 49 0.847 -11.248 -2.906 1.00 0.00 C ATOM 783 O ILE A 49 1.797 -10.693 -2.354 1.00 0.00 O ATOM 784 CB ILE A 49 2.158 -11.584 -5.008 1.00 0.00 C ATOM 785 CG1 ILE A 49 1.639 -10.334 -5.719 1.00 0.00 C ATOM 786 CG2 ILE A 49 2.624 -12.618 -6.012 1.00 0.00 C ATOM 787 CD1 ILE A 49 2.611 -9.176 -5.680 1.00 0.00 C ATOM 0 H ILE A 49 -0.577 -11.542 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 49 1.402 -13.154 -3.745 1.00 0.00 H new ATOM 0 HB ILE A 49 3.009 -11.296 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.420 -10.580 -6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.700 -10.027 -5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.395 -12.185 -6.649 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.031 -13.480 -5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.781 -12.934 -6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.180 -8.322 -6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.812 -8.904 -4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.543 -9.466 -6.166 1.00 0.00 H new ATOM 799 N LYS A 50 -0.417 -11.086 -2.512 1.00 0.00 N ATOM 800 CA LYS A 50 -0.766 -10.228 -1.386 1.00 0.00 C ATOM 801 C LYS A 50 -0.347 -8.785 -1.648 1.00 0.00 C ATOM 802 O LYS A 50 0.774 -8.388 -1.327 1.00 0.00 O ATOM 803 CB LYS A 50 -0.099 -10.744 -0.110 1.00 0.00 C ATOM 804 CG LYS A 50 -1.003 -11.636 0.728 1.00 0.00 C ATOM 805 CD LYS A 50 -0.265 -12.868 1.226 1.00 0.00 C ATOM 806 CE LYS A 50 -0.242 -13.967 0.175 1.00 0.00 C ATOM 807 NZ LYS A 50 -0.198 -15.322 0.789 1.00 0.00 N ATOM 0 H LYS A 50 -1.214 -11.539 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.849 -10.251 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.799 -11.300 -0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.220 -9.894 0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.386 -11.071 1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.865 -11.942 0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.756 -12.598 1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.745 -13.239 2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.126 -13.883 -0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.625 -13.833 -0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.183 -16.043 0.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.659 -15.411 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.039 -15.460 1.386 1.00 0.00 H new ATOM 821 N THR A 51 -1.247 -7.999 -2.235 1.00 0.00 N ATOM 822 CA THR A 51 -0.936 -6.604 -2.527 1.00 0.00 C ATOM 823 C THR A 51 -2.176 -5.718 -2.471 1.00 0.00 C ATOM 824 O THR A 51 -3.274 -6.140 -2.826 1.00 0.00 O ATOM 825 CB THR A 51 -0.275 -6.485 -3.900 1.00 0.00 C ATOM 826 OG1 THR A 51 -1.145 -6.942 -4.918 1.00 0.00 O ATOM 827 CG2 THR A 51 1.014 -7.269 -4.012 1.00 0.00 C ATOM 0 H THR A 51 -2.182 -8.298 -2.513 1.00 0.00 H new ATOM 0 HA THR A 51 -0.245 -6.258 -1.758 1.00 0.00 H new ATOM 0 HB THR A 51 -0.050 -5.425 -4.021 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.704 -6.856 -5.789 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.432 -7.142 -5.011 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.727 -6.905 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.814 -8.326 -3.834 1.00 0.00 H new ATOM 835 N PHE A 52 -1.976 -4.479 -2.030 1.00 0.00 N ATOM 836 CA PHE A 52 -3.056 -3.505 -1.929 1.00 0.00 C ATOM 837 C PHE A 52 -2.744 -2.285 -2.792 1.00 0.00 C ATOM 838 O PHE A 52 -1.596 -2.061 -3.160 1.00 0.00 O ATOM 839 CB PHE A 52 -3.262 -3.075 -0.476 1.00 0.00 C ATOM 840 CG PHE A 52 -3.174 -4.207 0.509 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.947 -4.745 0.856 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.319 -4.731 1.087 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.862 -5.785 1.763 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.241 -5.771 1.993 1.00 0.00 C ATOM 845 CZ PHE A 52 -3.011 -6.297 2.332 1.00 0.00 C ATOM 0 H PHE A 52 -1.066 -4.125 -1.735 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.974 -3.972 -2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.515 -2.324 -0.220 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.238 -2.599 -0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.046 -4.348 0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.284 -4.322 0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.899 -6.196 2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.141 -6.172 2.435 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.947 -7.108 3.042 1.00 0.00 H new ATOM 855 N THR A 53 -3.763 -1.500 -3.120 1.00 0.00 N ATOM 856 CA THR A 53 -3.555 -0.314 -3.943 1.00 0.00 C ATOM 857 C THR A 53 -4.515 0.811 -3.560 1.00 0.00 C ATOM 858 O THR A 53 -5.621 0.567 -3.080 1.00 0.00 O ATOM 859 CB THR A 53 -3.712 -0.666 -5.430 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.689 -1.555 -5.841 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.677 0.535 -6.365 1.00 0.00 C ATOM 0 H THR A 53 -4.729 -1.659 -2.834 1.00 0.00 H new ATOM 0 HA THR A 53 -2.540 0.042 -3.765 1.00 0.00 H new ATOM 0 HB THR A 53 -4.700 -1.121 -5.504 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.805 -1.770 -6.790 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.794 0.198 -7.395 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.489 1.217 -6.112 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.723 1.051 -6.259 1.00 0.00 H new ATOM 869 N VAL A 54 -4.080 2.044 -3.798 1.00 0.00 N ATOM 870 CA VAL A 54 -4.889 3.221 -3.504 1.00 0.00 C ATOM 871 C VAL A 54 -4.819 4.212 -4.670 1.00 0.00 C ATOM 872 O VAL A 54 -3.838 4.940 -4.833 1.00 0.00 O ATOM 873 CB VAL A 54 -4.465 3.892 -2.165 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.429 4.996 -2.360 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.689 4.432 -1.438 1.00 0.00 C ATOM 0 H VAL A 54 -3.165 2.255 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.924 2.900 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.991 3.121 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.171 5.428 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.534 4.578 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.841 5.772 -3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.380 4.899 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.188 5.171 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.376 3.613 -1.225 1.00 0.00 H new ATOM 885 N THR A 55 -5.855 4.212 -5.500 1.00 0.00 N ATOM 886 CA THR A 55 -5.899 5.092 -6.665 1.00 0.00 C ATOM 887 C THR A 55 -6.775 6.317 -6.411 1.00 0.00 C ATOM 888 O THR A 55 -7.947 6.192 -6.058 1.00 0.00 O ATOM 889 CB THR A 55 -6.419 4.327 -7.884 1.00 0.00 C ATOM 890 OG1 THR A 55 -7.394 3.374 -7.499 1.00 0.00 O ATOM 891 CG2 THR A 55 -5.330 3.591 -8.636 1.00 0.00 C ATOM 0 H THR A 55 -6.675 3.615 -5.390 1.00 0.00 H new ATOM 0 HA THR A 55 -4.883 5.437 -6.857 1.00 0.00 H new ATOM 0 HB THR A 55 -6.845 5.085 -8.542 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.716 2.896 -8.292 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.765 3.069 -9.488 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.585 4.305 -8.989 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.854 2.868 -7.973 1.00 0.00 H new ATOM 899 N GLU A 56 -6.199 7.500 -6.601 1.00 0.00 N ATOM 900 CA GLU A 56 -6.927 8.747 -6.399 1.00 0.00 C ATOM 901 C GLU A 56 -7.440 9.292 -7.725 1.00 0.00 C ATOM 902 O GLU A 56 -6.622 9.833 -8.495 1.00 0.00 O ATOM 903 CB GLU A 56 -6.030 9.777 -5.713 1.00 0.00 C ATOM 904 CG GLU A 56 -6.701 11.127 -5.507 1.00 0.00 C ATOM 905 CD GLU A 56 -5.774 12.152 -4.879 1.00 0.00 C ATOM 906 OE1 GLU A 56 -5.057 11.787 -3.920 1.00 0.00 O ATOM 907 OE2 GLU A 56 -5.765 13.304 -5.340 1.00 0.00 O ATOM 908 OXT GLU A 56 -8.657 9.170 -7.983 1.00 0.00 O ATOM 0 H GLU A 56 -5.230 7.621 -6.895 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.785 8.545 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.715 9.386 -4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.128 9.916 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.054 11.503 -6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.578 10.999 -4.872 1.00 0.00 H new TER 915 GLU A 56