USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 473 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 23 LYS NZ :NH3+ -168:sc= -2.26! (180deg=-1.5) USER MOD Set 1.2: A 44 ASN : amide:sc= -3.04 K(o=-5.3,f=-7.1!) USER MOD Set 2.1: A 3 HIS : no HD1:sc= -1.16 K(o=-2,f=-3.3) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 166:sc= -0.787 (180deg=-0.988) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.3) USER MOD Single : A 7 THR OG1 : rot 176:sc= -1.25! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 120:sc= -0.864 USER MOD Single : A 15 THR OG1 : rot 144:sc= 0.992 USER MOD Single : A 20 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.6!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -170:sc= -12.5! (180deg=-13.4!) USER MOD Single : A 35 ASN : amide:sc= -0.13 X(o=-0.13,f=0.11) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= -2 (180deg=-2.48) USER MOD Single : A 42 CYS SG : rot 130:sc= -2.34! USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.0729 (180deg=-0.32) USER MOD Single : A 48 GLN : amide:sc= -2.35! K(o=-2.3!,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.23 K(o=-0.23,f=-2.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -42:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 12.967 -8.445 0.700 1.00 0.00 N ATOM 11 CA SER A 2 12.065 -7.464 0.109 1.00 0.00 C ATOM 12 C SER A 2 11.339 -6.667 1.184 1.00 0.00 C ATOM 13 O SER A 2 10.865 -7.228 2.172 1.00 0.00 O ATOM 14 CB SER A 2 11.039 -8.156 -0.794 1.00 0.00 C ATOM 15 OG SER A 2 11.090 -7.640 -2.113 1.00 0.00 O ATOM 0 HA SER A 2 12.667 -6.778 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.231 -9.229 -0.812 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.038 -8.018 -0.385 1.00 0.00 H new ATOM 0 HG SER A 2 10.427 -8.099 -2.670 1.00 0.00 H new ATOM 21 N HIS A 3 11.227 -5.361 0.971 1.00 0.00 N ATOM 22 CA HIS A 3 10.522 -4.503 1.915 1.00 0.00 C ATOM 23 C HIS A 3 9.029 -4.613 1.657 1.00 0.00 C ATOM 24 O HIS A 3 8.564 -4.361 0.546 1.00 0.00 O ATOM 25 CB HIS A 3 10.973 -3.036 1.811 1.00 0.00 C ATOM 26 CG HIS A 3 11.826 -2.727 0.616 1.00 0.00 C ATOM 27 ND1 HIS A 3 13.177 -2.460 0.703 1.00 0.00 N ATOM 28 CD2 HIS A 3 11.513 -2.643 -0.699 1.00 0.00 C ATOM 29 CE1 HIS A 3 13.656 -2.224 -0.505 1.00 0.00 C ATOM 30 NE2 HIS A 3 12.667 -2.330 -1.373 1.00 0.00 N ATOM 0 H HIS A 3 11.612 -4.876 0.160 1.00 0.00 H new ATOM 0 HA HIS A 3 10.757 -4.837 2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.089 -2.399 1.784 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.526 -2.775 2.713 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.537 -2.794 -1.136 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.682 -1.985 -0.742 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.747 -2.200 -2.382 1.00 0.00 H new ATOM 39 N VAL A 4 8.280 -5.016 2.673 1.00 0.00 N ATOM 40 CA VAL A 4 6.844 -5.186 2.527 1.00 0.00 C ATOM 41 C VAL A 4 6.091 -4.319 3.516 1.00 0.00 C ATOM 42 O VAL A 4 6.682 -3.752 4.426 1.00 0.00 O ATOM 43 CB VAL A 4 6.417 -6.660 2.699 1.00 0.00 C ATOM 44 CG1 VAL A 4 5.504 -7.085 1.559 1.00 0.00 C ATOM 45 CG2 VAL A 4 7.629 -7.569 2.761 1.00 0.00 C ATOM 0 H VAL A 4 8.641 -5.230 3.602 1.00 0.00 H new ATOM 0 HA VAL A 4 6.592 -4.875 1.513 1.00 0.00 H new ATOM 0 HB VAL A 4 5.872 -6.747 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.212 -8.126 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.613 -6.457 1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.031 -6.977 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.303 -8.602 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.202 -7.475 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.255 -7.284 3.607 1.00 0.00 H new ATOM 55 N VAL A 5 4.790 -4.199 3.316 1.00 0.00 N ATOM 56 CA VAL A 5 3.959 -3.382 4.184 1.00 0.00 C ATOM 57 C VAL A 5 2.694 -4.125 4.594 1.00 0.00 C ATOM 58 O VAL A 5 2.275 -5.078 3.939 1.00 0.00 O ATOM 59 CB VAL A 5 3.633 -2.008 3.536 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.846 -2.028 2.034 1.00 0.00 C ATOM 61 CG2 VAL A 5 2.228 -1.526 3.863 1.00 0.00 C ATOM 0 H VAL A 5 4.285 -4.658 2.558 1.00 0.00 H new ATOM 0 HA VAL A 5 4.529 -3.180 5.091 1.00 0.00 H new ATOM 0 HB VAL A 5 4.335 -1.298 3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.607 -1.049 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.887 -2.270 1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.198 -2.780 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.054 -0.562 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.500 -2.250 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.122 -1.420 4.943 1.00 0.00 H new ATOM 71 N GLN A 6 2.113 -3.696 5.705 1.00 0.00 N ATOM 72 CA GLN A 6 0.913 -4.332 6.239 1.00 0.00 C ATOM 73 C GLN A 6 -0.273 -3.371 6.241 1.00 0.00 C ATOM 74 O GLN A 6 -0.118 -2.187 6.537 1.00 0.00 O ATOM 75 CB GLN A 6 1.187 -4.839 7.657 1.00 0.00 C ATOM 76 CG GLN A 6 0.576 -6.201 7.942 1.00 0.00 C ATOM 77 CD GLN A 6 1.399 -7.017 8.921 1.00 0.00 C ATOM 78 OE1 GLN A 6 1.708 -8.182 8.670 1.00 0.00 O ATOM 79 NE2 GLN A 6 1.756 -6.408 10.045 1.00 0.00 N ATOM 0 H GLN A 6 2.453 -2.908 6.257 1.00 0.00 H new ATOM 0 HA GLN A 6 0.656 -5.173 5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.264 -4.893 7.813 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.797 -4.117 8.374 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.429 -6.068 8.341 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.477 -6.753 7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.478 -5.441 10.212 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.309 -6.907 10.742 1.00 0.00 H new ATOM 88 N THR A 7 -1.458 -3.887 5.905 1.00 0.00 N ATOM 89 CA THR A 7 -2.667 -3.063 5.868 1.00 0.00 C ATOM 90 C THR A 7 -3.318 -2.976 7.238 1.00 0.00 C ATOM 91 O THR A 7 -3.439 -3.973 7.950 1.00 0.00 O ATOM 92 CB THR A 7 -3.674 -3.635 4.870 1.00 0.00 C ATOM 93 OG1 THR A 7 -4.459 -4.636 5.487 1.00 0.00 O ATOM 94 CG2 THR A 7 -3.037 -4.241 3.637 1.00 0.00 C ATOM 0 H THR A 7 -1.605 -4.865 5.656 1.00 0.00 H new ATOM 0 HA THR A 7 -2.370 -2.062 5.556 1.00 0.00 H new ATOM 0 HB THR A 7 -4.280 -2.786 4.552 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.146 -4.945 4.861 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.815 -4.625 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.461 -3.478 3.113 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.376 -5.056 3.932 1.00 0.00 H new ATOM 102 N LEU A 8 -3.727 -1.768 7.600 1.00 0.00 N ATOM 103 CA LEU A 8 -4.361 -1.523 8.888 1.00 0.00 C ATOM 104 C LEU A 8 -5.812 -1.090 8.684 1.00 0.00 C ATOM 105 O LEU A 8 -6.699 -1.462 9.452 1.00 0.00 O ATOM 106 CB LEU A 8 -3.602 -0.432 9.659 1.00 0.00 C ATOM 107 CG LEU A 8 -2.104 -0.679 9.940 1.00 0.00 C ATOM 108 CD1 LEU A 8 -1.875 -1.038 11.389 1.00 0.00 C ATOM 109 CD2 LEU A 8 -1.519 -1.766 9.055 1.00 0.00 C ATOM 0 H LEU A 8 -3.630 -0.938 7.016 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.338 -2.447 9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.692 0.500 9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.105 -0.282 10.614 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.593 0.256 9.710 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.812 -1.207 11.558 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.219 -0.222 12.025 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.429 -1.945 11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.464 -1.900 9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.052 -2.701 9.227 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.621 -1.478 8.009 1.00 0.00 H new ATOM 121 N TYR A 9 -6.037 -0.296 7.639 1.00 0.00 N ATOM 122 CA TYR A 9 -7.370 0.203 7.316 1.00 0.00 C ATOM 123 C TYR A 9 -7.667 0.029 5.826 1.00 0.00 C ATOM 124 O TYR A 9 -6.754 -0.170 5.024 1.00 0.00 O ATOM 125 CB TYR A 9 -7.498 1.678 7.707 1.00 0.00 C ATOM 126 CG TYR A 9 -8.038 1.895 9.105 1.00 0.00 C ATOM 127 CD1 TYR A 9 -9.087 1.127 9.597 1.00 0.00 C ATOM 128 CD2 TYR A 9 -7.495 2.869 9.933 1.00 0.00 C ATOM 129 CE1 TYR A 9 -9.580 1.325 10.873 1.00 0.00 C ATOM 130 CE2 TYR A 9 -7.982 3.074 11.210 1.00 0.00 C ATOM 131 CZ TYR A 9 -9.024 2.299 11.675 1.00 0.00 C ATOM 132 OH TYR A 9 -9.512 2.500 12.946 1.00 0.00 O ATOM 0 H TYR A 9 -5.307 0.017 6.998 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.096 -0.377 7.885 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.519 2.151 7.628 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.152 2.178 6.993 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.524 0.363 8.972 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.678 3.477 9.573 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.396 0.720 11.240 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.549 3.837 11.840 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.010 3.222 13.379 1.00 0.00 H new ATOM 142 N PRO A 10 -8.954 0.094 5.437 1.00 0.00 N ATOM 143 CA PRO A 10 -9.379 -0.063 4.042 1.00 0.00 C ATOM 144 C PRO A 10 -8.528 0.749 3.067 1.00 0.00 C ATOM 145 O PRO A 10 -7.644 1.504 3.472 1.00 0.00 O ATOM 146 CB PRO A 10 -10.833 0.441 4.036 1.00 0.00 C ATOM 147 CG PRO A 10 -11.087 0.989 5.406 1.00 0.00 C ATOM 148 CD PRO A 10 -10.101 0.322 6.320 1.00 0.00 C ATOM 0 HA PRO A 10 -9.274 -1.096 3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.976 1.209 3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.525 -0.369 3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.959 2.071 5.421 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.110 0.784 5.723 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.841 0.956 7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.492 -0.611 6.727 1.00 0.00 H new ATOM 156 N PHE A 11 -8.800 0.578 1.777 1.00 0.00 N ATOM 157 CA PHE A 11 -8.061 1.280 0.731 1.00 0.00 C ATOM 158 C PHE A 11 -8.755 2.575 0.325 1.00 0.00 C ATOM 159 O PHE A 11 -9.945 2.583 0.014 1.00 0.00 O ATOM 160 CB PHE A 11 -7.919 0.384 -0.498 1.00 0.00 C ATOM 161 CG PHE A 11 -9.239 -0.035 -1.081 1.00 0.00 C ATOM 162 CD1 PHE A 11 -9.895 -1.163 -0.610 1.00 0.00 C ATOM 163 CD2 PHE A 11 -9.828 0.702 -2.095 1.00 0.00 C ATOM 164 CE1 PHE A 11 -11.111 -1.546 -1.141 1.00 0.00 C ATOM 165 CE2 PHE A 11 -11.044 0.323 -2.631 1.00 0.00 C ATOM 166 CZ PHE A 11 -11.686 -0.802 -2.153 1.00 0.00 C ATOM 0 H PHE A 11 -9.530 -0.043 1.429 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.078 1.526 1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.344 0.911 -1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -7.350 -0.505 -0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.450 -1.748 0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.331 1.584 -2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.612 -2.426 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.491 0.906 -3.423 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.637 -1.100 -2.570 1.00 0.00 H new ATOM 176 N SER A 12 -7.997 3.669 0.312 1.00 0.00 N ATOM 177 CA SER A 12 -8.539 4.964 -0.077 1.00 0.00 C ATOM 178 C SER A 12 -7.653 5.638 -1.123 1.00 0.00 C ATOM 179 O SER A 12 -6.493 5.950 -0.856 1.00 0.00 O ATOM 180 CB SER A 12 -8.680 5.867 1.149 1.00 0.00 C ATOM 181 OG SER A 12 -9.448 7.019 0.851 1.00 0.00 O ATOM 0 H SER A 12 -7.009 3.683 0.566 1.00 0.00 H new ATOM 0 HA SER A 12 -9.523 4.801 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.151 5.312 1.960 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.692 6.166 1.499 1.00 0.00 H new ATOM 0 HG SER A 12 -9.524 7.578 1.652 1.00 0.00 H new ATOM 187 N SER A 13 -8.210 5.871 -2.309 1.00 0.00 N ATOM 188 CA SER A 13 -7.469 6.524 -3.386 1.00 0.00 C ATOM 189 C SER A 13 -8.215 7.760 -3.883 1.00 0.00 C ATOM 190 O SER A 13 -9.395 7.686 -4.228 1.00 0.00 O ATOM 191 CB SER A 13 -7.241 5.550 -4.544 1.00 0.00 C ATOM 192 OG SER A 13 -5.987 4.903 -4.425 1.00 0.00 O ATOM 0 H SER A 13 -9.169 5.618 -2.549 1.00 0.00 H new ATOM 0 HA SER A 13 -6.502 6.837 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.038 4.806 -4.560 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.288 6.088 -5.491 1.00 0.00 H new ATOM 0 HG SER A 13 -6.124 3.935 -4.353 1.00 0.00 H new ATOM 198 N VAL A 14 -7.525 8.898 -3.911 1.00 0.00 N ATOM 199 CA VAL A 14 -8.132 10.146 -4.359 1.00 0.00 C ATOM 200 C VAL A 14 -7.241 10.882 -5.357 1.00 0.00 C ATOM 201 O VAL A 14 -7.705 11.322 -6.409 1.00 0.00 O ATOM 202 CB VAL A 14 -8.433 11.077 -3.170 1.00 0.00 C ATOM 203 CG1 VAL A 14 -9.514 10.476 -2.285 1.00 0.00 C ATOM 204 CG2 VAL A 14 -7.171 11.350 -2.367 1.00 0.00 C ATOM 0 H VAL A 14 -6.548 8.980 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.066 9.878 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.797 12.027 -3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.715 11.147 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.425 10.338 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.178 9.512 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.407 12.010 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.772 10.410 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.428 11.826 -3.007 1.00 0.00 H new ATOM 214 N THR A 15 -5.959 11.016 -5.025 1.00 0.00 N ATOM 215 CA THR A 15 -5.010 11.703 -5.899 1.00 0.00 C ATOM 216 C THR A 15 -5.003 11.082 -7.295 1.00 0.00 C ATOM 217 O THR A 15 -5.635 10.052 -7.530 1.00 0.00 O ATOM 218 CB THR A 15 -3.603 11.661 -5.300 1.00 0.00 C ATOM 219 OG1 THR A 15 -3.661 11.504 -3.894 1.00 0.00 O ATOM 220 CG2 THR A 15 -2.792 12.908 -5.587 1.00 0.00 C ATOM 0 H THR A 15 -5.554 10.659 -4.160 1.00 0.00 H new ATOM 0 HA THR A 15 -5.326 12.742 -5.986 1.00 0.00 H new ATOM 0 HB THR A 15 -3.114 10.810 -5.774 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.919 10.937 -3.597 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.805 12.813 -5.134 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.686 13.033 -6.665 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.300 13.777 -5.169 1.00 0.00 H new ATOM 228 N GLU A 16 -4.293 11.721 -8.217 1.00 0.00 N ATOM 229 CA GLU A 16 -4.211 11.242 -9.593 1.00 0.00 C ATOM 230 C GLU A 16 -3.360 9.974 -9.693 1.00 0.00 C ATOM 231 O GLU A 16 -3.628 9.104 -10.520 1.00 0.00 O ATOM 232 CB GLU A 16 -3.651 12.354 -10.496 1.00 0.00 C ATOM 233 CG GLU A 16 -2.639 11.884 -11.534 1.00 0.00 C ATOM 234 CD GLU A 16 -3.234 10.907 -12.530 1.00 0.00 C ATOM 235 OE1 GLU A 16 -4.340 11.179 -13.040 1.00 0.00 O ATOM 236 OE2 GLU A 16 -2.593 9.870 -12.798 1.00 0.00 O ATOM 0 H GLU A 16 -3.764 12.574 -8.037 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.215 10.983 -9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.481 12.837 -11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.182 13.111 -9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.246 12.748 -12.069 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.797 11.413 -11.027 1.00 0.00 H new ATOM 243 N GLU A 17 -2.332 9.877 -8.855 1.00 0.00 N ATOM 244 CA GLU A 17 -1.447 8.713 -8.870 1.00 0.00 C ATOM 245 C GLU A 17 -1.908 7.649 -7.876 1.00 0.00 C ATOM 246 O GLU A 17 -1.089 6.930 -7.302 1.00 0.00 O ATOM 247 CB GLU A 17 -0.003 9.119 -8.560 1.00 0.00 C ATOM 248 CG GLU A 17 0.417 10.442 -9.178 1.00 0.00 C ATOM 249 CD GLU A 17 1.034 10.272 -10.553 1.00 0.00 C ATOM 250 OE1 GLU A 17 2.008 9.501 -10.675 1.00 0.00 O ATOM 251 OE2 GLU A 17 0.542 10.910 -11.509 1.00 0.00 O ATOM 0 H GLU A 17 -2.091 10.584 -8.161 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.488 8.289 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.122 9.180 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.667 8.336 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.451 11.097 -9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.133 10.935 -8.521 1.00 0.00 H new ATOM 258 N GLU A 18 -3.219 7.546 -7.680 1.00 0.00 N ATOM 259 CA GLU A 18 -3.778 6.561 -6.760 1.00 0.00 C ATOM 260 C GLU A 18 -4.749 5.635 -7.494 1.00 0.00 C ATOM 261 O GLU A 18 -5.167 5.927 -8.614 1.00 0.00 O ATOM 262 CB GLU A 18 -4.506 7.253 -5.607 1.00 0.00 C ATOM 263 CG GLU A 18 -3.842 8.536 -5.143 1.00 0.00 C ATOM 264 CD GLU A 18 -3.670 8.596 -3.638 1.00 0.00 C ATOM 265 OE1 GLU A 18 -4.441 7.919 -2.925 1.00 0.00 O ATOM 266 OE2 GLU A 18 -2.765 9.320 -3.171 1.00 0.00 O ATOM 0 H GLU A 18 -3.913 8.131 -8.145 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.955 5.971 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.527 7.475 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.571 6.564 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.866 8.628 -5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.438 9.388 -5.470 1.00 0.00 H new ATOM 273 N LEU A 19 -5.123 4.532 -6.850 1.00 0.00 N ATOM 274 CA LEU A 19 -6.067 3.587 -7.443 1.00 0.00 C ATOM 275 C LEU A 19 -6.824 2.828 -6.358 1.00 0.00 C ATOM 276 O LEU A 19 -6.311 2.616 -5.260 1.00 0.00 O ATOM 277 CB LEU A 19 -5.364 2.630 -8.427 1.00 0.00 C ATOM 278 CG LEU A 19 -4.675 1.378 -7.849 1.00 0.00 C ATOM 279 CD1 LEU A 19 -4.080 1.631 -6.482 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.634 0.191 -7.799 1.00 0.00 C ATOM 0 H LEU A 19 -4.789 4.271 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.796 4.155 -8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.103 2.298 -9.156 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.614 3.203 -8.972 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.855 1.135 -8.525 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.606 0.720 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.336 2.425 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.868 1.931 -5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.118 -0.676 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.488 0.439 -7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.982 -0.039 -8.806 1.00 0.00 H new ATOM 292 N ASN A 20 -8.062 2.449 -6.661 1.00 0.00 N ATOM 293 CA ASN A 20 -8.898 1.745 -5.696 1.00 0.00 C ATOM 294 C ASN A 20 -8.923 0.248 -5.971 1.00 0.00 C ATOM 295 O ASN A 20 -9.479 -0.206 -6.971 1.00 0.00 O ATOM 296 CB ASN A 20 -10.323 2.302 -5.712 1.00 0.00 C ATOM 297 CG ASN A 20 -10.856 2.502 -7.118 1.00 0.00 C ATOM 298 OD1 ASN A 20 -10.447 1.813 -8.053 1.00 0.00 O ATOM 299 ND2 ASN A 20 -11.774 3.449 -7.275 1.00 0.00 N ATOM 0 H ASN A 20 -8.507 2.617 -7.564 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.465 1.903 -4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -10.981 1.622 -5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.343 3.254 -5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.169 3.629 -8.198 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.084 3.997 -6.472 1.00 0.00 H new ATOM 306 N PHE A 21 -8.318 -0.510 -5.066 1.00 0.00 N ATOM 307 CA PHE A 21 -8.265 -1.964 -5.191 1.00 0.00 C ATOM 308 C PHE A 21 -8.625 -2.639 -3.874 1.00 0.00 C ATOM 309 O PHE A 21 -8.603 -2.010 -2.818 1.00 0.00 O ATOM 310 CB PHE A 21 -6.879 -2.426 -5.654 1.00 0.00 C ATOM 311 CG PHE A 21 -5.719 -1.708 -5.009 1.00 0.00 C ATOM 312 CD1 PHE A 21 -5.820 -1.167 -3.735 1.00 0.00 C ATOM 313 CD2 PHE A 21 -4.518 -1.587 -5.685 1.00 0.00 C ATOM 314 CE1 PHE A 21 -4.745 -0.520 -3.154 1.00 0.00 C ATOM 315 CE2 PHE A 21 -3.442 -0.941 -5.110 1.00 0.00 C ATOM 316 CZ PHE A 21 -3.555 -0.406 -3.843 1.00 0.00 C ATOM 0 H PHE A 21 -7.855 -0.143 -4.235 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.998 -2.255 -5.943 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.783 -3.493 -5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.812 -2.297 -6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.749 -1.252 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.421 -2.004 -6.677 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.837 -0.104 -2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.512 -0.854 -5.652 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.714 0.100 -3.392 1.00 0.00 H new ATOM 326 N GLU A 22 -8.949 -3.926 -3.932 1.00 0.00 N ATOM 327 CA GLU A 22 -9.294 -4.668 -2.732 1.00 0.00 C ATOM 328 C GLU A 22 -8.048 -4.845 -1.866 1.00 0.00 C ATOM 329 O GLU A 22 -7.212 -5.712 -2.124 1.00 0.00 O ATOM 330 CB GLU A 22 -9.919 -6.021 -3.114 1.00 0.00 C ATOM 331 CG GLU A 22 -9.527 -7.178 -2.209 1.00 0.00 C ATOM 332 CD GLU A 22 -9.845 -6.918 -0.749 1.00 0.00 C ATOM 333 OE1 GLU A 22 -10.971 -6.460 -0.459 1.00 0.00 O ATOM 334 OE2 GLU A 22 -8.969 -7.171 0.104 1.00 0.00 O ATOM 0 H GLU A 22 -8.979 -4.472 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.033 -4.115 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.004 -5.921 -3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.631 -6.263 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.047 -8.079 -2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.459 -7.370 -2.315 1.00 0.00 H new ATOM 341 N LYS A 23 -7.921 -3.999 -0.851 1.00 0.00 N ATOM 342 CA LYS A 23 -6.775 -4.043 0.045 1.00 0.00 C ATOM 343 C LYS A 23 -6.852 -5.238 0.983 1.00 0.00 C ATOM 344 O LYS A 23 -7.857 -5.445 1.663 1.00 0.00 O ATOM 345 CB LYS A 23 -6.696 -2.751 0.857 1.00 0.00 C ATOM 346 CG LYS A 23 -5.481 -1.895 0.531 1.00 0.00 C ATOM 347 CD LYS A 23 -4.181 -2.679 0.660 1.00 0.00 C ATOM 348 CE LYS A 23 -3.362 -2.609 -0.620 1.00 0.00 C ATOM 349 NZ LYS A 23 -4.044 -3.292 -1.752 1.00 0.00 N ATOM 0 H LYS A 23 -8.601 -3.272 -0.628 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.876 -4.146 -0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.599 -2.166 0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.679 -3.000 1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.572 -1.508 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.454 -1.034 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.596 -2.283 1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.404 -3.720 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.183 -1.566 -0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.387 -3.068 -0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.378 -3.402 -2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.374 -4.229 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.858 -2.723 -2.061 1.00 0.00 H new ATOM 363 N GLY A 24 -5.776 -6.011 1.029 1.00 0.00 N ATOM 364 CA GLY A 24 -5.732 -7.163 1.902 1.00 0.00 C ATOM 365 C GLY A 24 -5.209 -6.802 3.276 1.00 0.00 C ATOM 366 O GLY A 24 -5.450 -5.701 3.762 1.00 0.00 O ATOM 0 H GLY A 24 -4.932 -5.859 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.731 -7.590 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.097 -7.931 1.460 1.00 0.00 H new ATOM 370 N GLU A 25 -4.483 -7.726 3.889 1.00 0.00 N ATOM 371 CA GLU A 25 -3.900 -7.514 5.203 1.00 0.00 C ATOM 372 C GLU A 25 -2.458 -7.049 5.082 1.00 0.00 C ATOM 373 O GLU A 25 -1.877 -6.516 6.028 1.00 0.00 O ATOM 374 CB GLU A 25 -3.969 -8.799 6.025 1.00 0.00 C ATOM 375 CG GLU A 25 -4.479 -8.576 7.434 1.00 0.00 C ATOM 376 CD GLU A 25 -5.104 -9.820 8.035 1.00 0.00 C ATOM 377 OE1 GLU A 25 -6.102 -10.316 7.470 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.598 -10.296 9.073 1.00 0.00 O ATOM 0 H GLU A 25 -4.283 -8.642 3.489 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.472 -6.738 5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.619 -9.513 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.977 -9.248 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.654 -8.247 8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.215 -7.772 7.426 1.00 0.00 H new ATOM 385 N THR A 26 -1.887 -7.271 3.909 1.00 0.00 N ATOM 386 CA THR A 26 -0.505 -6.897 3.640 1.00 0.00 C ATOM 387 C THR A 26 -0.323 -6.382 2.215 1.00 0.00 C ATOM 388 O THR A 26 -0.944 -6.878 1.274 1.00 0.00 O ATOM 389 CB THR A 26 0.419 -8.095 3.868 1.00 0.00 C ATOM 390 OG1 THR A 26 -0.330 -9.261 4.165 1.00 0.00 O ATOM 391 CG2 THR A 26 1.409 -7.888 4.994 1.00 0.00 C ATOM 0 H THR A 26 -2.362 -7.712 3.121 1.00 0.00 H new ATOM 0 HA THR A 26 -0.246 -6.092 4.328 1.00 0.00 H new ATOM 0 HB THR A 26 0.973 -8.207 2.936 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.280 -10.015 4.305 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.031 -8.777 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.040 -7.028 4.770 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.870 -7.710 5.924 1.00 0.00 H new ATOM 399 N MET A 27 0.556 -5.398 2.071 1.00 0.00 N ATOM 400 CA MET A 27 0.871 -4.808 0.774 1.00 0.00 C ATOM 401 C MET A 27 2.371 -4.577 0.679 1.00 0.00 C ATOM 402 O MET A 27 3.064 -4.604 1.687 1.00 0.00 O ATOM 403 CB MET A 27 0.121 -3.485 0.557 1.00 0.00 C ATOM 404 CG MET A 27 -0.641 -2.987 1.775 1.00 0.00 C ATOM 405 SD MET A 27 -0.922 -1.206 1.735 1.00 0.00 S ATOM 406 CE MET A 27 -2.040 -1.008 3.119 1.00 0.00 C ATOM 0 H MET A 27 1.071 -4.986 2.849 1.00 0.00 H new ATOM 0 HA MET A 27 0.550 -5.500 -0.005 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.837 -2.721 0.254 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.580 -3.610 -0.269 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.600 -3.501 1.835 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.085 -3.243 2.677 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.445 0.004 3.118 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.856 -1.726 3.033 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.501 -1.181 4.050 1.00 0.00 H new ATOM 416 N GLU A 28 2.874 -4.352 -0.526 1.00 0.00 N ATOM 417 CA GLU A 28 4.302 -4.117 -0.718 1.00 0.00 C ATOM 418 C GLU A 28 4.531 -2.758 -1.357 1.00 0.00 C ATOM 419 O GLU A 28 4.169 -2.533 -2.510 1.00 0.00 O ATOM 420 CB GLU A 28 4.906 -5.210 -1.590 1.00 0.00 C ATOM 421 CG GLU A 28 4.090 -5.515 -2.837 1.00 0.00 C ATOM 422 CD GLU A 28 3.298 -6.803 -2.714 1.00 0.00 C ATOM 423 OE1 GLU A 28 2.210 -6.775 -2.102 1.00 0.00 O ATOM 424 OE2 GLU A 28 3.766 -7.838 -3.231 1.00 0.00 O ATOM 0 H GLU A 28 2.320 -4.327 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 28 4.789 -4.135 0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.911 -4.912 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.006 -6.121 -0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.406 -4.689 -3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.757 -5.584 -3.696 1.00 0.00 H new ATOM 431 N VAL A 29 5.125 -1.856 -0.592 1.00 0.00 N ATOM 432 CA VAL A 29 5.389 -0.507 -1.057 1.00 0.00 C ATOM 433 C VAL A 29 6.768 -0.390 -1.698 1.00 0.00 C ATOM 434 O VAL A 29 7.754 -0.934 -1.199 1.00 0.00 O ATOM 435 CB VAL A 29 5.236 0.495 0.107 1.00 0.00 C ATOM 436 CG1 VAL A 29 5.920 1.819 -0.189 1.00 0.00 C ATOM 437 CG2 VAL A 29 3.762 0.709 0.411 1.00 0.00 C ATOM 0 H VAL A 29 5.435 -2.038 0.362 1.00 0.00 H new ATOM 0 HA VAL A 29 4.656 -0.267 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 29 5.727 0.071 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.787 2.494 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.984 1.650 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.480 2.264 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.659 1.417 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.262 1.104 -0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.307 -0.241 0.691 1.00 0.00 H new ATOM 447 N ILE A 30 6.812 0.321 -2.816 1.00 0.00 N ATOM 448 CA ILE A 30 8.050 0.527 -3.563 1.00 0.00 C ATOM 449 C ILE A 30 8.696 1.862 -3.209 1.00 0.00 C ATOM 450 O ILE A 30 9.917 1.961 -3.091 1.00 0.00 O ATOM 451 CB ILE A 30 7.813 0.486 -5.092 1.00 0.00 C ATOM 452 CG1 ILE A 30 6.392 0.962 -5.434 1.00 0.00 C ATOM 453 CG2 ILE A 30 8.066 -0.914 -5.633 1.00 0.00 C ATOM 454 CD1 ILE A 30 5.362 -0.147 -5.505 1.00 0.00 C ATOM 0 H ILE A 30 5.996 0.770 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 30 8.715 -0.289 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 30 8.518 1.166 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.075 1.689 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.416 1.481 -6.392 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.895 -0.925 -6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.097 -1.203 -5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.388 -1.618 -5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.388 0.276 -5.751 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.651 -0.863 -6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.305 -0.653 -4.541 1.00 0.00 H new ATOM 466 N GLU A 31 7.869 2.889 -3.048 1.00 0.00 N ATOM 467 CA GLU A 31 8.360 4.219 -2.715 1.00 0.00 C ATOM 468 C GLU A 31 8.434 4.412 -1.204 1.00 0.00 C ATOM 469 O GLU A 31 7.410 4.537 -0.532 1.00 0.00 O ATOM 470 CB GLU A 31 7.457 5.287 -3.336 1.00 0.00 C ATOM 471 CG GLU A 31 7.876 6.711 -3.002 1.00 0.00 C ATOM 472 CD GLU A 31 7.336 7.725 -3.991 1.00 0.00 C ATOM 473 OE1 GLU A 31 6.097 7.856 -4.090 1.00 0.00 O ATOM 474 OE2 GLU A 31 8.150 8.387 -4.667 1.00 0.00 O ATOM 0 H GLU A 31 6.855 2.825 -3.143 1.00 0.00 H new ATOM 0 HA GLU A 31 9.366 4.321 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.454 5.163 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.434 5.129 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.526 6.963 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.964 6.771 -2.984 1.00 0.00 H new ATOM 481 N LYS A 32 9.652 4.435 -0.678 1.00 0.00 N ATOM 482 CA LYS A 32 9.867 4.614 0.749 1.00 0.00 C ATOM 483 C LYS A 32 9.781 6.091 1.127 1.00 0.00 C ATOM 484 O LYS A 32 10.274 6.954 0.402 1.00 0.00 O ATOM 485 CB LYS A 32 11.232 4.052 1.143 1.00 0.00 C ATOM 486 CG LYS A 32 11.559 2.722 0.484 1.00 0.00 C ATOM 487 CD LYS A 32 10.515 1.664 0.810 1.00 0.00 C ATOM 488 CE LYS A 32 10.286 0.716 -0.358 1.00 0.00 C ATOM 489 NZ LYS A 32 11.537 0.447 -1.122 1.00 0.00 N ATOM 0 H LYS A 32 10.508 4.331 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 32 9.087 4.075 1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.003 4.777 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.266 3.929 2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.618 2.855 -0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.539 2.381 0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.835 1.095 1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.575 2.150 1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.881 -0.225 0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.539 1.142 -1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.392 -0.371 -1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.781 1.281 -1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.312 0.243 -0.459 1.00 0.00 H new ATOM 503 N PRO A 33 9.146 6.405 2.270 1.00 0.00 N ATOM 504 CA PRO A 33 8.994 7.780 2.736 1.00 0.00 C ATOM 505 C PRO A 33 10.197 8.273 3.538 1.00 0.00 C ATOM 506 O PRO A 33 10.130 9.315 4.191 1.00 0.00 O ATOM 507 CB PRO A 33 7.757 7.695 3.622 1.00 0.00 C ATOM 508 CG PRO A 33 7.794 6.316 4.195 1.00 0.00 C ATOM 509 CD PRO A 33 8.518 5.443 3.197 1.00 0.00 C ATOM 0 HA PRO A 33 8.910 8.487 1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.780 8.451 4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.846 7.860 3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.308 6.311 5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.785 5.944 4.372 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.263 4.814 3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.830 4.778 2.676 1.00 0.00 H new ATOM 517 N GLU A 34 11.295 7.524 3.489 1.00 0.00 N ATOM 518 CA GLU A 34 12.505 7.898 4.216 1.00 0.00 C ATOM 519 C GLU A 34 13.007 9.272 3.777 1.00 0.00 C ATOM 520 O GLU A 34 13.748 9.933 4.507 1.00 0.00 O ATOM 521 CB GLU A 34 13.606 6.848 4.019 1.00 0.00 C ATOM 522 CG GLU A 34 13.691 6.288 2.605 1.00 0.00 C ATOM 523 CD GLU A 34 13.768 7.372 1.548 1.00 0.00 C ATOM 524 OE1 GLU A 34 14.876 7.903 1.321 1.00 0.00 O ATOM 525 OE2 GLU A 34 12.721 7.689 0.946 1.00 0.00 O ATOM 0 H GLU A 34 11.372 6.658 2.956 1.00 0.00 H new ATOM 0 HA GLU A 34 12.253 7.945 5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.567 7.292 4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.436 6.025 4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.568 5.646 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.820 5.662 2.414 1.00 0.00 H new ATOM 532 N ASN A 35 12.597 9.700 2.588 1.00 0.00 N ATOM 533 CA ASN A 35 13.002 10.997 2.059 1.00 0.00 C ATOM 534 C ASN A 35 11.793 11.916 1.917 1.00 0.00 C ATOM 535 O ASN A 35 11.857 13.099 2.248 1.00 0.00 O ATOM 536 CB ASN A 35 13.692 10.827 0.705 1.00 0.00 C ATOM 537 CG ASN A 35 14.429 12.080 0.270 1.00 0.00 C ATOM 538 OD1 ASN A 35 14.187 12.610 -0.814 1.00 0.00 O ATOM 539 ND2 ASN A 35 15.333 12.558 1.116 1.00 0.00 N ATOM 0 H ASN A 35 11.984 9.167 1.972 1.00 0.00 H new ATOM 0 HA ASN A 35 13.705 11.449 2.758 1.00 0.00 H new ATOM 0 HB2 ASN A 35 14.395 9.996 0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.949 10.566 -0.048 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.860 13.398 0.878 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.500 12.085 2.004 1.00 0.00 H new ATOM 546 N ASP A 36 10.692 11.357 1.425 1.00 0.00 N ATOM 547 CA ASP A 36 9.463 12.122 1.241 1.00 0.00 C ATOM 548 C ASP A 36 8.302 11.465 1.988 1.00 0.00 C ATOM 549 O ASP A 36 7.728 10.484 1.514 1.00 0.00 O ATOM 550 CB ASP A 36 9.127 12.234 -0.247 1.00 0.00 C ATOM 551 CG ASP A 36 10.326 12.639 -1.084 1.00 0.00 C ATOM 552 OD1 ASP A 36 11.311 11.873 -1.117 1.00 0.00 O ATOM 553 OD2 ASP A 36 10.279 13.722 -1.704 1.00 0.00 O ATOM 0 H ASP A 36 10.625 10.378 1.147 1.00 0.00 H new ATOM 0 HA ASP A 36 9.618 13.121 1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.746 11.277 -0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.330 12.965 -0.382 1.00 0.00 H new ATOM 558 N PRO A 37 7.942 11.995 3.170 1.00 0.00 N ATOM 559 CA PRO A 37 6.851 11.451 3.977 1.00 0.00 C ATOM 560 C PRO A 37 5.482 11.954 3.529 1.00 0.00 C ATOM 561 O PRO A 37 4.771 12.610 4.292 1.00 0.00 O ATOM 562 CB PRO A 37 7.180 11.969 5.376 1.00 0.00 C ATOM 563 CG PRO A 37 7.849 13.280 5.138 1.00 0.00 C ATOM 564 CD PRO A 37 8.575 13.160 3.820 1.00 0.00 C ATOM 0 HA PRO A 37 6.784 10.366 3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.279 12.086 5.978 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.834 11.280 5.911 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.118 14.088 5.106 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.545 13.512 5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.463 14.062 3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.644 13.004 3.966 1.00 0.00 H new ATOM 572 N GLU A 38 5.115 11.644 2.289 1.00 0.00 N ATOM 573 CA GLU A 38 3.829 12.069 1.749 1.00 0.00 C ATOM 574 C GLU A 38 2.921 10.872 1.464 1.00 0.00 C ATOM 575 O GLU A 38 1.978 10.612 2.212 1.00 0.00 O ATOM 576 CB GLU A 38 4.023 12.915 0.485 1.00 0.00 C ATOM 577 CG GLU A 38 5.073 12.380 -0.481 1.00 0.00 C ATOM 578 CD GLU A 38 5.992 13.469 -1.003 1.00 0.00 C ATOM 579 OE1 GLU A 38 6.360 14.364 -0.213 1.00 0.00 O ATOM 580 OE2 GLU A 38 6.341 13.427 -2.201 1.00 0.00 O ATOM 0 H GLU A 38 5.688 11.102 1.642 1.00 0.00 H new ATOM 0 HA GLU A 38 3.340 12.685 2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.070 12.987 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.301 13.927 0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.668 11.617 0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.576 11.895 -1.321 1.00 0.00 H new ATOM 587 N TRP A 39 3.199 10.146 0.384 1.00 0.00 N ATOM 588 CA TRP A 39 2.394 8.985 0.020 1.00 0.00 C ATOM 589 C TRP A 39 3.221 7.962 -0.749 1.00 0.00 C ATOM 590 O TRP A 39 4.104 8.325 -1.527 1.00 0.00 O ATOM 591 CB TRP A 39 1.196 9.415 -0.830 1.00 0.00 C ATOM 592 CG TRP A 39 0.538 10.672 -0.348 1.00 0.00 C ATOM 593 CD1 TRP A 39 -0.354 10.791 0.678 1.00 0.00 C ATOM 594 CD2 TRP A 39 0.719 11.991 -0.878 1.00 0.00 C ATOM 595 NE1 TRP A 39 -0.738 12.103 0.820 1.00 0.00 N ATOM 596 CE2 TRP A 39 -0.092 12.860 -0.124 1.00 0.00 C ATOM 597 CE3 TRP A 39 1.490 12.521 -1.916 1.00 0.00 C ATOM 598 CZ2 TRP A 39 -0.153 14.228 -0.375 1.00 0.00 C ATOM 599 CZ3 TRP A 39 1.429 13.879 -2.164 1.00 0.00 C ATOM 600 CH2 TRP A 39 0.613 14.719 -1.397 1.00 0.00 C ATOM 0 H TRP A 39 3.973 10.341 -0.252 1.00 0.00 H new ATOM 0 HA TRP A 39 2.039 8.524 0.942 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.525 9.559 -1.859 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.461 8.611 -0.839 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -0.707 9.973 1.289 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.396 12.456 1.514 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.122 11.881 -2.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -0.782 14.878 0.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.021 14.300 -2.963 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.588 15.776 -1.616 1.00 0.00 H new ATOM 611 N TRP A 40 2.914 6.684 -0.548 1.00 0.00 N ATOM 612 CA TRP A 40 3.619 5.618 -1.250 1.00 0.00 C ATOM 613 C TRP A 40 2.640 4.801 -2.092 1.00 0.00 C ATOM 614 O TRP A 40 1.427 4.964 -1.974 1.00 0.00 O ATOM 615 CB TRP A 40 4.393 4.724 -0.275 1.00 0.00 C ATOM 616 CG TRP A 40 3.547 4.061 0.769 1.00 0.00 C ATOM 617 CD1 TRP A 40 2.364 3.410 0.580 1.00 0.00 C ATOM 618 CD2 TRP A 40 3.832 3.973 2.169 1.00 0.00 C ATOM 619 NE1 TRP A 40 1.893 2.926 1.778 1.00 0.00 N ATOM 620 CE2 TRP A 40 2.780 3.258 2.767 1.00 0.00 C ATOM 621 CE3 TRP A 40 4.878 4.431 2.975 1.00 0.00 C ATOM 622 CZ2 TRP A 40 2.746 2.990 4.131 1.00 0.00 C ATOM 623 CZ3 TRP A 40 4.841 4.165 4.330 1.00 0.00 C ATOM 624 CH2 TRP A 40 3.782 3.448 4.897 1.00 0.00 C ATOM 0 H TRP A 40 2.187 6.363 0.091 1.00 0.00 H new ATOM 0 HA TRP A 40 4.349 6.074 -1.918 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.914 3.954 -0.844 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.155 5.325 0.221 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.869 3.292 -0.372 1.00 0.00 H new ATOM 0 HE1 TRP A 40 1.026 2.405 1.908 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.701 4.983 2.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 1.928 2.438 4.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.643 4.516 4.962 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.783 3.253 5.959 1.00 0.00 H new ATOM 635 N LYS A 41 3.175 3.945 -2.954 1.00 0.00 N ATOM 636 CA LYS A 41 2.352 3.127 -3.841 1.00 0.00 C ATOM 637 C LYS A 41 2.792 1.668 -3.846 1.00 0.00 C ATOM 638 O LYS A 41 3.983 1.366 -3.850 1.00 0.00 O ATOM 639 CB LYS A 41 2.332 3.698 -5.260 1.00 0.00 C ATOM 640 CG LYS A 41 3.697 4.076 -5.795 1.00 0.00 C ATOM 641 CD LYS A 41 4.441 2.875 -6.343 1.00 0.00 C ATOM 642 CE LYS A 41 4.127 2.589 -7.810 1.00 0.00 C ATOM 643 NZ LYS A 41 3.083 3.493 -8.376 1.00 0.00 N ATOM 0 H LYS A 41 4.179 3.798 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 41 1.335 3.156 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.882 2.964 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.691 4.579 -5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.585 4.823 -6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.284 4.535 -5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.513 3.039 -6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.190 1.998 -5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.041 2.688 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.795 1.555 -7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.830 3.175 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.239 3.471 -7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.452 4.464 -8.421 1.00 0.00 H new ATOM 657 N CYS A 42 1.813 0.768 -3.830 1.00 0.00 N ATOM 658 CA CYS A 42 2.080 -0.663 -3.830 1.00 0.00 C ATOM 659 C CYS A 42 1.212 -1.352 -4.877 1.00 0.00 C ATOM 660 O CYS A 42 0.176 -0.818 -5.274 1.00 0.00 O ATOM 661 CB CYS A 42 1.805 -1.279 -2.450 1.00 0.00 C ATOM 662 SG CYS A 42 0.490 -0.462 -1.513 1.00 0.00 S ATOM 0 H CYS A 42 0.822 1.009 -3.817 1.00 0.00 H new ATOM 0 HA CYS A 42 3.133 -0.810 -4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.543 -2.329 -2.580 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.723 -1.250 -1.864 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.354 -1.352 -1.082 1.00 0.00 H new ATOM 668 N LYS A 43 1.632 -2.532 -5.325 1.00 0.00 N ATOM 669 CA LYS A 43 0.886 -3.273 -6.342 1.00 0.00 C ATOM 670 C LYS A 43 -0.100 -4.241 -5.712 1.00 0.00 C ATOM 671 O LYS A 43 0.168 -4.838 -4.670 1.00 0.00 O ATOM 672 CB LYS A 43 1.847 -4.033 -7.259 1.00 0.00 C ATOM 673 CG LYS A 43 2.627 -5.129 -6.553 1.00 0.00 C ATOM 674 CD LYS A 43 3.123 -6.181 -7.532 1.00 0.00 C ATOM 675 CE LYS A 43 1.967 -6.875 -8.238 1.00 0.00 C ATOM 676 NZ LYS A 43 1.865 -6.469 -9.667 1.00 0.00 N ATOM 0 H LYS A 43 2.481 -2.996 -5.002 1.00 0.00 H new ATOM 0 HA LYS A 43 0.323 -2.549 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.280 -4.473 -8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.549 -3.326 -7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.476 -4.692 -6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.994 -5.600 -5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.774 -5.714 -8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.723 -6.920 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.100 -7.955 -8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.034 -6.639 -7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.877 -6.549 -9.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.183 -5.484 -9.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.464 -7.090 -10.248 1.00 0.00 H new ATOM 690 N ASN A 44 -1.258 -4.374 -6.356 1.00 0.00 N ATOM 691 CA ASN A 44 -2.307 -5.252 -5.867 1.00 0.00 C ATOM 692 C ASN A 44 -2.643 -6.303 -6.903 1.00 0.00 C ATOM 693 O ASN A 44 -2.125 -6.281 -8.020 1.00 0.00 O ATOM 694 CB ASN A 44 -3.555 -4.438 -5.519 1.00 0.00 C ATOM 695 CG ASN A 44 -4.440 -5.134 -4.502 1.00 0.00 C ATOM 696 OD1 ASN A 44 -5.647 -5.262 -4.699 1.00 0.00 O ATOM 697 ND2 ASN A 44 -3.841 -5.589 -3.408 1.00 0.00 N ATOM 0 H ASN A 44 -1.489 -3.882 -7.219 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.949 -5.753 -4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.253 -3.466 -5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.128 -4.252 -6.427 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.385 -6.067 -2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.837 -5.461 -3.286 1.00 0.00 H new ATOM 704 N ALA A 45 -3.506 -7.229 -6.527 1.00 0.00 N ATOM 705 CA ALA A 45 -3.901 -8.291 -7.425 1.00 0.00 C ATOM 706 C ALA A 45 -4.646 -7.748 -8.644 1.00 0.00 C ATOM 707 O ALA A 45 -4.866 -8.472 -9.615 1.00 0.00 O ATOM 708 CB ALA A 45 -4.738 -9.319 -6.685 1.00 0.00 C ATOM 0 H ALA A 45 -3.944 -7.265 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.998 -8.778 -7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.029 -10.114 -7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.155 -9.742 -5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.631 -8.840 -6.284 1.00 0.00 H new ATOM 714 N ARG A 46 -5.012 -6.469 -8.601 1.00 0.00 N ATOM 715 CA ARG A 46 -5.705 -5.842 -9.718 1.00 0.00 C ATOM 716 C ARG A 46 -4.693 -5.383 -10.768 1.00 0.00 C ATOM 717 O ARG A 46 -5.067 -4.843 -11.809 1.00 0.00 O ATOM 718 CB ARG A 46 -6.521 -4.634 -9.243 1.00 0.00 C ATOM 719 CG ARG A 46 -7.232 -4.837 -7.914 1.00 0.00 C ATOM 720 CD ARG A 46 -8.295 -5.921 -8.004 1.00 0.00 C ATOM 721 NE ARG A 46 -7.728 -7.267 -7.951 1.00 0.00 N ATOM 722 CZ ARG A 46 -8.335 -8.348 -8.439 1.00 0.00 C ATOM 723 NH1 ARG A 46 -9.533 -8.248 -9.002 1.00 0.00 N ATOM 724 NH2 ARG A 46 -7.747 -9.534 -8.357 1.00 0.00 N ATOM 0 H ARG A 46 -4.840 -5.851 -7.808 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.382 -6.577 -10.154 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.857 -3.774 -9.158 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.262 -4.390 -10.004 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.503 -5.105 -7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.693 -3.900 -7.601 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.006 -5.797 -7.187 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.853 -5.802 -8.933 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.814 -7.386 -7.515 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.994 -7.340 -9.063 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.993 -9.079 -9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.829 -9.619 -7.920 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.213 -10.361 -8.731 1.00 0.00 H new ATOM 738 N GLY A 47 -3.407 -5.590 -10.478 1.00 0.00 N ATOM 739 CA GLY A 47 -2.362 -5.180 -11.395 1.00 0.00 C ATOM 740 C GLY A 47 -2.170 -3.675 -11.405 1.00 0.00 C ATOM 741 O GLY A 47 -1.402 -3.147 -12.209 1.00 0.00 O ATOM 0 H GLY A 47 -3.075 -6.035 -9.623 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.425 -5.663 -11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.609 -5.520 -12.401 1.00 0.00 H new ATOM 745 N GLN A 48 -2.878 -2.984 -10.515 1.00 0.00 N ATOM 746 CA GLN A 48 -2.791 -1.535 -10.428 1.00 0.00 C ATOM 747 C GLN A 48 -2.274 -1.079 -9.079 1.00 0.00 C ATOM 748 O GLN A 48 -2.933 -1.251 -8.055 1.00 0.00 O ATOM 749 CB GLN A 48 -4.150 -0.893 -10.706 1.00 0.00 C ATOM 750 CG GLN A 48 -5.342 -1.791 -10.414 1.00 0.00 C ATOM 751 CD GLN A 48 -6.635 -1.249 -10.994 1.00 0.00 C ATOM 752 OE1 GLN A 48 -7.468 -2.003 -11.495 1.00 0.00 O ATOM 753 NE2 GLN A 48 -6.809 0.067 -10.928 1.00 0.00 N ATOM 0 H GLN A 48 -3.519 -3.408 -9.844 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.079 -1.212 -11.188 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.239 0.014 -10.108 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.187 -0.589 -11.752 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.153 -2.784 -10.822 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.451 -1.905 -9.335 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.092 0.656 -10.504 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.659 0.488 -11.302 1.00 0.00 H new ATOM 762 N VAL A 49 -1.107 -0.459 -9.094 1.00 0.00 N ATOM 763 CA VAL A 49 -0.522 0.068 -7.877 1.00 0.00 C ATOM 764 C VAL A 49 -0.695 1.571 -7.859 1.00 0.00 C ATOM 765 O VAL A 49 -0.420 2.252 -8.846 1.00 0.00 O ATOM 766 CB VAL A 49 0.975 -0.282 -7.722 1.00 0.00 C ATOM 767 CG1 VAL A 49 1.633 -0.477 -9.063 1.00 0.00 C ATOM 768 CG2 VAL A 49 1.704 0.779 -6.912 1.00 0.00 C ATOM 0 H VAL A 49 -0.548 -0.309 -9.934 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.041 -0.397 -7.039 1.00 0.00 H new ATOM 0 HB VAL A 49 1.038 -1.225 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.685 -0.722 -8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.140 -1.291 -9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.550 0.440 -9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.755 0.507 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.622 1.742 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.258 0.850 -5.920 1.00 0.00 H new ATOM 778 N GLY A 50 -1.153 2.079 -6.736 1.00 0.00 N ATOM 779 CA GLY A 50 -1.359 3.496 -6.613 1.00 0.00 C ATOM 780 C GLY A 50 -0.967 4.002 -5.255 1.00 0.00 C ATOM 781 O GLY A 50 -0.495 3.245 -4.409 1.00 0.00 O ATOM 0 H GLY A 50 -1.386 1.535 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.778 4.015 -7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.408 3.728 -6.798 1.00 0.00 H new ATOM 785 N LEU A 51 -1.159 5.284 -5.051 1.00 0.00 N ATOM 786 CA LEU A 51 -0.816 5.909 -3.793 1.00 0.00 C ATOM 787 C LEU A 51 -1.805 5.531 -2.699 1.00 0.00 C ATOM 788 O LEU A 51 -2.971 5.924 -2.728 1.00 0.00 O ATOM 789 CB LEU A 51 -0.754 7.419 -3.973 1.00 0.00 C ATOM 790 CG LEU A 51 0.627 7.968 -4.340 1.00 0.00 C ATOM 791 CD1 LEU A 51 1.437 6.955 -5.135 1.00 0.00 C ATOM 792 CD2 LEU A 51 0.486 9.256 -5.124 1.00 0.00 C ATOM 0 H LEU A 51 -1.554 5.919 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 51 0.164 5.548 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.462 7.707 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.084 7.894 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 51 1.163 8.170 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.411 7.379 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.572 6.051 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.908 6.709 -6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.475 9.637 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.077 9.066 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.042 9.994 -4.520 1.00 0.00 H new ATOM 804 N VAL A 52 -1.318 4.756 -1.739 1.00 0.00 N ATOM 805 CA VAL A 52 -2.131 4.296 -0.623 1.00 0.00 C ATOM 806 C VAL A 52 -1.855 5.125 0.629 1.00 0.00 C ATOM 807 O VAL A 52 -0.728 5.560 0.864 1.00 0.00 O ATOM 808 CB VAL A 52 -1.852 2.799 -0.323 1.00 0.00 C ATOM 809 CG1 VAL A 52 -0.359 2.533 -0.343 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.451 2.353 1.012 1.00 0.00 C ATOM 0 H VAL A 52 -0.352 4.430 -1.712 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.177 4.416 -0.904 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.337 2.215 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.174 1.480 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.042 2.781 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.130 3.146 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.229 1.299 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.020 2.945 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.531 2.497 0.992 1.00 0.00 H new ATOM 820 N PRO A 53 -2.884 5.323 1.466 1.00 0.00 N ATOM 821 CA PRO A 53 -2.766 6.069 2.728 1.00 0.00 C ATOM 822 C PRO A 53 -1.762 5.417 3.671 1.00 0.00 C ATOM 823 O PRO A 53 -2.128 4.589 4.505 1.00 0.00 O ATOM 824 CB PRO A 53 -4.171 5.954 3.320 1.00 0.00 C ATOM 825 CG PRO A 53 -4.688 4.706 2.705 1.00 0.00 C ATOM 826 CD PRO A 53 -4.248 4.807 1.287 1.00 0.00 C ATOM 0 HA PRO A 53 -2.421 7.092 2.578 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.147 5.889 4.408 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.788 6.816 3.066 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.278 3.820 3.190 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.773 4.639 2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.263 3.843 0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.874 5.484 0.706 1.00 0.00 H new ATOM 834 N LYS A 54 -0.501 5.782 3.529 1.00 0.00 N ATOM 835 CA LYS A 54 0.553 5.221 4.362 1.00 0.00 C ATOM 836 C LYS A 54 0.237 5.361 5.847 1.00 0.00 C ATOM 837 O LYS A 54 0.702 4.569 6.668 1.00 0.00 O ATOM 838 CB LYS A 54 1.864 5.905 4.050 1.00 0.00 C ATOM 839 CG LYS A 54 1.759 7.410 4.097 1.00 0.00 C ATOM 840 CD LYS A 54 2.532 7.986 5.273 1.00 0.00 C ATOM 841 CE LYS A 54 2.623 9.502 5.194 1.00 0.00 C ATOM 842 NZ LYS A 54 1.435 10.164 5.803 1.00 0.00 N ATOM 0 H LYS A 54 -0.179 6.466 2.844 1.00 0.00 H new ATOM 0 HA LYS A 54 0.626 4.157 4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.620 5.575 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.203 5.599 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.141 7.832 3.167 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.711 7.701 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.046 7.698 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.536 7.561 5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.526 9.838 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.713 9.806 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.537 11.196 5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.575 9.864 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.363 9.895 6.805 1.00 0.00 H new ATOM 856 N ASN A 55 -0.558 6.369 6.184 1.00 0.00 N ATOM 857 CA ASN A 55 -0.941 6.614 7.570 1.00 0.00 C ATOM 858 C ASN A 55 -2.109 5.720 7.978 1.00 0.00 C ATOM 859 O ASN A 55 -2.573 5.771 9.118 1.00 0.00 O ATOM 860 CB ASN A 55 -1.325 8.078 7.763 1.00 0.00 C ATOM 861 CG ASN A 55 -0.885 8.622 9.108 1.00 0.00 C ATOM 862 OD1 ASN A 55 0.038 8.096 9.731 1.00 0.00 O ATOM 863 ND2 ASN A 55 -1.544 9.681 9.562 1.00 0.00 N ATOM 0 H ASN A 55 -0.951 7.032 5.515 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.084 6.380 8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.877 8.675 6.969 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.406 8.182 7.669 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.292 10.092 10.461 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.302 10.084 9.012 1.00 0.00 H new ATOM 870 N TYR A 56 -2.573 4.899 7.044 1.00 0.00 N ATOM 871 CA TYR A 56 -3.678 3.989 7.303 1.00 0.00 C ATOM 872 C TYR A 56 -3.168 2.557 7.329 1.00 0.00 C ATOM 873 O TYR A 56 -3.945 1.604 7.264 1.00 0.00 O ATOM 874 CB TYR A 56 -4.748 4.131 6.218 1.00 0.00 C ATOM 875 CG TYR A 56 -5.562 5.402 6.316 1.00 0.00 C ATOM 876 CD1 TYR A 56 -4.955 6.636 6.513 1.00 0.00 C ATOM 877 CD2 TYR A 56 -6.945 5.360 6.212 1.00 0.00 C ATOM 878 CE1 TYR A 56 -5.705 7.793 6.605 1.00 0.00 C ATOM 879 CE2 TYR A 56 -7.703 6.512 6.302 1.00 0.00 C ATOM 880 CZ TYR A 56 -7.078 7.726 6.499 1.00 0.00 C ATOM 881 OH TYR A 56 -7.829 8.875 6.590 1.00 0.00 O ATOM 0 H TYR A 56 -2.198 4.846 6.097 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.118 4.237 8.269 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.266 4.095 5.241 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.422 3.276 6.273 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.880 6.692 6.596 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.437 4.411 6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.218 8.745 6.759 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -8.779 6.462 6.219 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.779 8.654 6.493 1.00 0.00 H new ATOM 891 N VAL A 57 -1.849 2.420 7.393 1.00 0.00 N ATOM 892 CA VAL A 57 -1.212 1.114 7.395 1.00 0.00 C ATOM 893 C VAL A 57 0.096 1.140 8.191 1.00 0.00 C ATOM 894 O VAL A 57 0.534 2.196 8.648 1.00 0.00 O ATOM 895 CB VAL A 57 -0.932 0.636 5.953 1.00 0.00 C ATOM 896 CG1 VAL A 57 -1.801 1.386 4.947 1.00 0.00 C ATOM 897 CG2 VAL A 57 0.535 0.797 5.588 1.00 0.00 C ATOM 0 H VAL A 57 -1.199 3.204 7.444 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.899 0.416 7.873 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.183 -0.424 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.583 1.029 3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.853 1.212 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.589 2.453 5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.696 0.451 4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.816 1.848 5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.147 0.208 6.271 1.00 0.00 H new ATOM 907 N VAL A 58 0.733 -0.019 8.310 1.00 0.00 N ATOM 908 CA VAL A 58 2.013 -0.127 9.001 1.00 0.00 C ATOM 909 C VAL A 58 2.991 -0.907 8.127 1.00 0.00 C ATOM 910 O VAL A 58 2.716 -2.039 7.731 1.00 0.00 O ATOM 911 CB VAL A 58 1.884 -0.788 10.394 1.00 0.00 C ATOM 912 CG1 VAL A 58 1.537 -2.265 10.283 1.00 0.00 C ATOM 913 CG2 VAL A 58 3.165 -0.594 11.192 1.00 0.00 C ATOM 0 H VAL A 58 0.383 -0.901 7.935 1.00 0.00 H new ATOM 0 HA VAL A 58 2.387 0.883 9.172 1.00 0.00 H new ATOM 0 HB VAL A 58 1.065 -0.299 10.921 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.455 -2.695 11.281 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.587 -2.377 9.760 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.320 -2.782 9.728 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.059 -1.064 12.170 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.999 -1.050 10.658 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.356 0.471 11.321 1.00 0.00 H new ATOM 923 N VAL A 59 4.111 -0.281 7.791 1.00 0.00 N ATOM 924 CA VAL A 59 5.097 -0.909 6.922 1.00 0.00 C ATOM 925 C VAL A 59 5.745 -2.134 7.545 1.00 0.00 C ATOM 926 O VAL A 59 5.957 -2.211 8.755 1.00 0.00 O ATOM 927 CB VAL A 59 6.203 0.064 6.485 1.00 0.00 C ATOM 928 CG1 VAL A 59 7.114 -0.613 5.468 1.00 0.00 C ATOM 929 CG2 VAL A 59 5.598 1.333 5.909 1.00 0.00 C ATOM 0 H VAL A 59 4.359 0.657 8.105 1.00 0.00 H new ATOM 0 HA VAL A 59 4.528 -1.222 6.047 1.00 0.00 H new ATOM 0 HB VAL A 59 6.797 0.341 7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.896 0.081 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.568 -1.496 5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.530 -0.909 4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.396 2.011 5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.984 1.083 5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.979 1.817 6.665 1.00 0.00 H new ATOM 939 N LEU A 60 6.064 -3.081 6.676 1.00 0.00 N ATOM 940 CA LEU A 60 6.698 -4.317 7.044 1.00 0.00 C ATOM 941 C LEU A 60 8.164 -4.276 6.627 1.00 0.00 C ATOM 942 O LEU A 60 8.579 -3.435 5.830 1.00 0.00 O ATOM 943 CB LEU A 60 5.982 -5.496 6.377 1.00 0.00 C ATOM 944 CG LEU A 60 5.307 -6.485 7.334 1.00 0.00 C ATOM 945 CD1 LEU A 60 4.598 -5.751 8.463 1.00 0.00 C ATOM 946 CD2 LEU A 60 4.329 -7.369 6.576 1.00 0.00 C ATOM 0 H LEU A 60 5.881 -3.000 5.676 1.00 0.00 H new ATOM 0 HA LEU A 60 6.639 -4.449 8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.227 -5.102 5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.705 -6.041 5.770 1.00 0.00 H new ATOM 0 HG LEU A 60 6.079 -7.116 7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.127 -6.475 9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.322 -5.160 9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.836 -5.092 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.857 -8.066 7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.564 -6.748 6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.863 -7.927 5.807 1.00 0.00 H new ATOM 958 N SER A 61 8.931 -5.181 7.179 1.00 0.00 N ATOM 959 CA SER A 61 10.357 -5.274 6.889 1.00 0.00 C ATOM 960 C SER A 61 11.082 -3.997 7.307 1.00 0.00 C ATOM 961 O SER A 61 10.523 -3.243 8.130 1.00 0.00 O ATOM 962 CB SER A 61 10.583 -5.536 5.399 1.00 0.00 C ATOM 963 OG SER A 61 11.954 -5.770 5.125 1.00 0.00 O ATOM 964 OXT SER A 61 12.202 -3.764 6.807 1.00 0.00 O ATOM 0 H SER A 61 8.594 -5.878 7.843 1.00 0.00 H new ATOM 0 HA SER A 61 10.763 -6.107 7.462 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.994 -6.397 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.234 -4.682 4.819 1.00 0.00 H new ATOM 0 HG SER A 61 12.502 -5.134 5.631 1.00 0.00 H new