USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.7!) USER MOD Single : A 5 THR OG1 : rot -80:sc= -0.81 USER MOD Single : A 6 CYS SG : rot 180:sc= 0.0401 USER MOD Single : A 9 ASN : amide:sc= 0.372 K(o=0.37,f=-1.9) USER MOD Single : A -2 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.38) USER MOD Single : A -9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.092) USER MOD Single : A 12 THR OG1 : rot 10:sc= -0.647 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -100:sc= -0.0168 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.0651! C(o=0.065!,f=-14!) USER MOD Single : A 23 ASN : amide:sc= -0.0914 K(o=-0.091,f=-1.7!) USER MOD Single : A 29 ASN : amide:sc= -4.28! C(o=-4.3!,f=-3.9!) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.8 USER MOD Single : A 36 LYS NZ :NH3+ -142:sc= 0.14 (180deg=0.00986) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.0744 F(o=-0.77,f=-0.074) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 45 THR OG1 : rot 100:sc= 1.13 USER MOD Single : A 46 MET CE :methyl 166:sc= -0.0764 (180deg=-0.377) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -0.0156 (180deg=-0.169) USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -11 HIS : no HD1:sc=-0.00945 X(o=-0.0094,f=0) USER MOD Single : A -12 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A -13 HIS : no HE2:sc= -0.419 X(o=-0.42,f=-0.72) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -15 HIS : no HD1:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A -16 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ -170:sc= -0.0101 (180deg=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 13.134 -2.858 -27.486 1.00 16.77 N ATOM 2 CA MET A -18 13.979 -3.986 -27.041 1.00 16.30 C ATOM 3 C MET A -18 14.811 -3.574 -25.835 1.00 15.80 C ATOM 4 O MET A -18 15.960 -3.153 -25.974 1.00 15.75 O ATOM 5 CB MET A -18 14.896 -4.453 -28.176 1.00 16.41 C ATOM 6 CG MET A -18 14.151 -4.909 -29.419 1.00 16.85 C ATOM 7 SD MET A -18 13.029 -6.283 -29.095 1.00 17.18 S ATOM 8 CE MET A -18 12.308 -6.518 -30.719 1.00 17.45 C ATOM 0 H1 MET A -18 12.451 -3.194 -28.195 1.00 16.77 H new ATOM 0 H2 MET A -18 12.621 -2.465 -26.671 1.00 16.77 H new ATOM 0 H3 MET A -18 13.734 -2.119 -27.906 1.00 16.77 H new ATOM 0 HA MET A -18 13.328 -4.813 -26.758 1.00 16.30 H new ATOM 0 HB2 MET A -18 15.569 -3.639 -28.445 1.00 16.41 H new ATOM 0 HB3 MET A -18 15.517 -5.273 -27.815 1.00 16.41 H new ATOM 0 HG2 MET A -18 13.585 -4.071 -29.826 1.00 16.85 H new ATOM 0 HG3 MET A -18 14.872 -5.206 -30.181 1.00 16.85 H new ATOM 0 HE1 MET A -18 11.590 -7.337 -30.683 1.00 17.45 H new ATOM 0 HE2 MET A -18 11.801 -5.604 -31.028 1.00 17.45 H new ATOM 0 HE3 MET A -18 13.094 -6.756 -31.435 1.00 17.45 H new ATOM 20 N ALA A -17 14.218 -3.688 -24.657 1.00 15.58 N ATOM 21 CA ALA A -17 14.891 -3.330 -23.420 1.00 15.28 C ATOM 22 C ALA A -17 14.424 -4.229 -22.282 1.00 14.65 C ATOM 23 O ALA A -17 15.148 -5.134 -21.864 1.00 14.54 O ATOM 24 CB ALA A -17 14.640 -1.867 -23.084 1.00 15.75 C ATOM 0 H ALA A -17 13.265 -4.028 -24.532 1.00 15.58 H new ATOM 0 HA ALA A -17 15.963 -3.473 -23.553 1.00 15.28 H new ATOM 0 HB1 ALA A -17 15.151 -1.614 -22.155 1.00 15.75 H new ATOM 0 HB2 ALA A -17 15.020 -1.238 -23.889 1.00 15.75 H new ATOM 0 HB3 ALA A -17 13.569 -1.699 -22.967 1.00 15.75 H new ATOM 30 N HIS A -16 13.202 -3.979 -21.802 1.00 14.40 N ATOM 31 CA HIS A -16 12.598 -4.766 -20.723 1.00 13.97 C ATOM 32 C HIS A -16 13.528 -4.866 -19.515 1.00 13.40 C ATOM 33 O HIS A -16 13.870 -5.960 -19.064 1.00 13.34 O ATOM 34 CB HIS A -16 12.204 -6.167 -21.215 1.00 14.30 C ATOM 35 CG HIS A -16 11.038 -6.171 -22.157 1.00 14.69 C ATOM 36 ND1 HIS A -16 11.156 -6.432 -23.505 1.00 15.06 N ATOM 37 CD2 HIS A -16 9.720 -5.949 -21.937 1.00 14.94 C ATOM 38 CE1 HIS A -16 9.966 -6.367 -24.071 1.00 15.50 C ATOM 39 NE2 HIS A -16 9.078 -6.077 -23.143 1.00 15.44 N ATOM 0 H HIS A -16 12.606 -3.228 -22.149 1.00 14.40 H new ATOM 0 HA HIS A -16 11.694 -4.245 -20.409 1.00 13.97 H new ATOM 0 HB2 HIS A -16 13.061 -6.622 -21.711 1.00 14.30 H new ATOM 0 HB3 HIS A -16 11.966 -6.791 -20.354 1.00 14.30 H new ATOM 0 HD2 HIS A -16 9.260 -5.715 -20.988 1.00 14.94 H new ATOM 0 HE1 HIS A -16 9.756 -6.525 -25.118 1.00 15.50 H new ATOM 0 HE2 HIS A -16 8.076 -5.966 -23.296 1.00 15.44 H new ATOM 48 N HIS A -15 13.937 -3.714 -19.000 1.00 13.18 N ATOM 49 CA HIS A -15 14.800 -3.656 -17.826 1.00 12.80 C ATOM 50 C HIS A -15 14.137 -2.826 -16.736 1.00 12.10 C ATOM 51 O HIS A -15 13.292 -1.985 -17.032 1.00 12.11 O ATOM 52 CB HIS A -15 16.171 -3.068 -18.178 1.00 13.32 C ATOM 53 CG HIS A -15 17.013 -3.971 -19.029 1.00 13.69 C ATOM 54 ND1 HIS A -15 17.752 -3.526 -20.102 1.00 14.05 N ATOM 55 CD2 HIS A -15 17.246 -5.301 -18.943 1.00 13.95 C ATOM 56 CE1 HIS A -15 18.399 -4.543 -20.640 1.00 14.50 C ATOM 57 NE2 HIS A -15 18.110 -5.631 -19.956 1.00 14.45 N ATOM 0 H HIS A -15 13.684 -2.802 -19.379 1.00 13.18 H new ATOM 0 HA HIS A -15 14.952 -4.672 -17.462 1.00 12.80 H new ATOM 0 HB2 HIS A -15 16.028 -2.122 -18.699 1.00 13.32 H new ATOM 0 HB3 HIS A -15 16.709 -2.846 -17.256 1.00 13.32 H new ATOM 0 HD2 HIS A -15 16.829 -5.978 -18.212 1.00 13.95 H new ATOM 0 HE1 HIS A -15 19.055 -4.492 -21.497 1.00 14.50 H new ATOM 0 HE2 HIS A -15 18.470 -6.566 -20.148 1.00 14.45 H new ATOM 66 N HIS A -14 14.527 -3.071 -15.485 1.00 11.67 N ATOM 67 CA HIS A -14 13.925 -2.411 -14.322 1.00 11.15 C ATOM 68 C HIS A -14 12.452 -2.787 -14.182 1.00 10.45 C ATOM 69 O HIS A -14 12.126 -3.753 -13.493 1.00 10.24 O ATOM 70 CB HIS A -14 14.083 -0.884 -14.376 1.00 11.34 C ATOM 71 CG HIS A -14 15.471 -0.406 -14.082 1.00 11.78 C ATOM 72 ND1 HIS A -14 15.860 0.051 -12.842 1.00 12.06 N ATOM 73 CD2 HIS A -14 16.562 -0.308 -14.875 1.00 12.20 C ATOM 74 CE1 HIS A -14 17.128 0.411 -12.887 1.00 12.61 C ATOM 75 NE2 HIS A -14 17.578 0.203 -14.109 1.00 12.71 N ATOM 0 H HIS A -14 15.268 -3.731 -15.247 1.00 11.67 H new ATOM 0 HA HIS A -14 14.464 -2.766 -13.443 1.00 11.15 H new ATOM 0 HB2 HIS A -14 13.791 -0.533 -15.366 1.00 11.34 H new ATOM 0 HB3 HIS A -14 13.395 -0.432 -13.662 1.00 11.34 H new ATOM 0 HD2 HIS A -14 16.622 -0.581 -15.918 1.00 12.20 H new ATOM 0 HE1 HIS A -14 17.701 0.809 -12.062 1.00 12.61 H new ATOM 0 HE2 HIS A -14 18.527 0.391 -14.432 1.00 12.71 H new ATOM 84 N HIS A -13 11.580 -2.033 -14.857 1.00 10.29 N ATOM 85 CA HIS A -13 10.134 -2.260 -14.808 1.00 9.83 C ATOM 86 C HIS A -13 9.626 -2.333 -13.375 1.00 9.17 C ATOM 87 O HIS A -13 9.001 -3.312 -12.966 1.00 9.24 O ATOM 88 CB HIS A -13 9.748 -3.526 -15.581 1.00 10.33 C ATOM 89 CG HIS A -13 9.586 -3.292 -17.049 1.00 10.72 C ATOM 90 ND1 HIS A -13 8.358 -3.215 -17.665 1.00 11.23 N ATOM 91 CD2 HIS A -13 10.504 -3.107 -18.025 1.00 10.91 C ATOM 92 CE1 HIS A -13 8.527 -2.994 -18.953 1.00 11.69 C ATOM 93 NE2 HIS A -13 9.821 -2.923 -19.202 1.00 11.52 N ATOM 0 H HIS A -13 11.856 -1.251 -15.451 1.00 10.29 H new ATOM 0 HA HIS A -13 9.657 -1.406 -15.288 1.00 9.83 H new ATOM 0 HB2 HIS A -13 10.512 -4.288 -15.423 1.00 10.33 H new ATOM 0 HB3 HIS A -13 8.816 -3.921 -15.177 1.00 10.33 H new ATOM 0 HD1 HIS A -13 7.457 -3.314 -17.197 1.00 11.23 H new ATOM 0 HD2 HIS A -13 11.577 -3.104 -17.901 1.00 10.91 H new ATOM 0 HE1 HIS A -13 7.738 -2.889 -19.683 1.00 11.69 H new ATOM 102 N HIS A -12 9.902 -1.288 -12.617 1.00 8.78 N ATOM 103 CA HIS A -12 9.472 -1.211 -11.232 1.00 8.39 C ATOM 104 C HIS A -12 8.135 -0.479 -11.149 1.00 7.80 C ATOM 105 O HIS A -12 8.073 0.688 -10.762 1.00 7.91 O ATOM 106 CB HIS A -12 10.548 -0.506 -10.398 1.00 8.72 C ATOM 107 CG HIS A -12 10.264 -0.444 -8.927 1.00 8.98 C ATOM 108 ND1 HIS A -12 10.366 -1.535 -8.092 1.00 9.31 N ATOM 109 CD2 HIS A -12 9.904 0.595 -8.141 1.00 9.28 C ATOM 110 CE1 HIS A -12 10.084 -1.166 -6.857 1.00 9.77 C ATOM 111 NE2 HIS A -12 9.800 0.121 -6.859 1.00 9.76 N ATOM 0 H HIS A -12 10.426 -0.475 -12.940 1.00 8.78 H new ATOM 0 HA HIS A -12 9.334 -2.215 -10.830 1.00 8.39 H new ATOM 0 HB2 HIS A -12 11.498 -1.018 -10.549 1.00 8.72 H new ATOM 0 HB3 HIS A -12 10.671 0.510 -10.773 1.00 8.72 H new ATOM 0 HD2 HIS A -12 9.730 1.611 -8.463 1.00 9.28 H new ATOM 0 HE1 HIS A -12 10.086 -1.810 -5.990 1.00 9.77 H new ATOM 0 HE2 HIS A -12 9.545 0.674 -6.041 1.00 9.76 H new ATOM 120 N HIS A -11 7.070 -1.172 -11.538 1.00 7.48 N ATOM 121 CA HIS A -11 5.730 -0.592 -11.538 1.00 7.19 C ATOM 122 C HIS A -11 5.178 -0.544 -10.120 1.00 6.46 C ATOM 123 O HIS A -11 4.415 0.358 -9.770 1.00 6.49 O ATOM 124 CB HIS A -11 4.794 -1.406 -12.446 1.00 7.84 C ATOM 125 CG HIS A -11 3.398 -0.853 -12.557 1.00 8.37 C ATOM 126 ND1 HIS A -11 2.994 -0.030 -13.586 1.00 8.98 N ATOM 127 CD2 HIS A -11 2.308 -1.023 -11.770 1.00 8.69 C ATOM 128 CE1 HIS A -11 1.722 0.283 -13.426 1.00 9.59 C ATOM 129 NE2 HIS A -11 1.281 -0.307 -12.332 1.00 9.44 N ATOM 0 H HIS A -11 7.108 -2.140 -11.859 1.00 7.48 H new ATOM 0 HA HIS A -11 5.791 0.425 -11.925 1.00 7.19 H new ATOM 0 HB2 HIS A -11 5.231 -1.459 -13.443 1.00 7.84 H new ATOM 0 HB3 HIS A -11 4.738 -2.427 -12.068 1.00 7.84 H new ATOM 0 HD2 HIS A -11 2.257 -1.613 -10.867 1.00 8.69 H new ATOM 0 HE1 HIS A -11 1.140 0.915 -14.080 1.00 9.59 H new ATOM 0 HE2 HIS A -11 0.332 -0.242 -11.964 1.00 9.44 H new ATOM 138 N SER A -10 5.574 -1.515 -9.313 1.00 6.16 N ATOM 139 CA SER A -10 5.109 -1.611 -7.940 1.00 5.80 C ATOM 140 C SER A -10 5.629 -0.439 -7.110 1.00 5.14 C ATOM 141 O SER A -10 6.823 -0.139 -7.129 1.00 5.44 O ATOM 142 CB SER A -10 5.581 -2.931 -7.332 1.00 6.45 C ATOM 143 OG SER A -10 5.257 -4.022 -8.179 1.00 7.05 O ATOM 0 H SER A -10 6.222 -2.253 -9.589 1.00 6.16 H new ATOM 0 HA SER A -10 4.020 -1.577 -7.936 1.00 5.80 H new ATOM 0 HB2 SER A -10 6.659 -2.897 -7.171 1.00 6.45 H new ATOM 0 HB3 SER A -10 5.117 -3.073 -6.356 1.00 6.45 H new ATOM 0 HG SER A -10 5.570 -4.857 -7.771 1.00 7.05 H new ATOM 149 N SER A -9 4.727 0.228 -6.409 1.00 4.65 N ATOM 150 CA SER A -9 5.109 1.305 -5.513 1.00 4.40 C ATOM 151 C SER A -9 5.854 0.730 -4.316 1.00 3.47 C ATOM 152 O SER A -9 5.458 -0.300 -3.767 1.00 3.79 O ATOM 153 CB SER A -9 3.866 2.069 -5.059 1.00 5.30 C ATOM 154 OG SER A -9 3.113 2.509 -6.178 1.00 6.01 O ATOM 0 H SER A -9 3.725 0.042 -6.444 1.00 4.65 H new ATOM 0 HA SER A -9 5.767 1.999 -6.036 1.00 4.40 H new ATOM 0 HB2 SER A -9 3.249 1.429 -4.428 1.00 5.30 H new ATOM 0 HB3 SER A -9 4.160 2.926 -4.453 1.00 5.30 H new ATOM 0 HG SER A -9 2.320 2.995 -5.868 1.00 6.01 H new ATOM 160 N GLY A -8 6.944 1.374 -3.937 1.00 2.88 N ATOM 161 CA GLY A -8 7.764 0.868 -2.859 1.00 2.53 C ATOM 162 C GLY A -8 7.266 1.298 -1.498 1.00 2.03 C ATOM 163 O GLY A -8 6.573 2.313 -1.373 1.00 2.46 O ATOM 0 H GLY A -8 7.277 2.241 -4.358 1.00 2.88 H new ATOM 0 HA2 GLY A -8 7.788 -0.221 -2.906 1.00 2.53 H new ATOM 0 HA3 GLY A -8 8.789 1.215 -2.993 1.00 2.53 H new ATOM 167 N LEU A -7 7.617 0.524 -0.478 1.00 1.44 N ATOM 168 CA LEU A -7 7.237 0.834 0.893 1.00 1.02 C ATOM 169 C LEU A -7 8.086 1.989 1.419 1.00 1.01 C ATOM 170 O LEU A -7 9.063 1.789 2.141 1.00 1.40 O ATOM 171 CB LEU A -7 7.359 -0.408 1.805 1.00 0.97 C ATOM 172 CG LEU A -7 8.560 -1.326 1.543 1.00 1.54 C ATOM 173 CD1 LEU A -7 8.987 -2.009 2.832 1.00 2.25 C ATOM 174 CD2 LEU A -7 8.218 -2.377 0.493 1.00 2.06 C ATOM 0 H LEU A -7 8.168 -0.329 -0.577 1.00 1.44 H new ATOM 0 HA LEU A -7 6.190 1.138 0.901 1.00 1.02 H new ATOM 0 HB2 LEU A -7 7.406 -0.070 2.840 1.00 0.97 H new ATOM 0 HB3 LEU A -7 6.448 -0.998 1.704 1.00 0.97 H new ATOM 0 HG LEU A -7 9.382 -0.715 1.170 1.00 1.54 H new ATOM 0 HD11 LEU A -7 9.840 -2.658 2.634 1.00 2.25 H new ATOM 0 HD12 LEU A -7 9.267 -1.255 3.568 1.00 2.25 H new ATOM 0 HD13 LEU A -7 8.160 -2.604 3.220 1.00 2.25 H new ATOM 0 HD21 LEU A -7 9.084 -3.017 0.323 1.00 2.06 H new ATOM 0 HD22 LEU A -7 7.382 -2.983 0.843 1.00 2.06 H new ATOM 0 HD23 LEU A -7 7.943 -1.884 -0.439 1.00 2.06 H new ATOM 186 N GLU A -6 7.711 3.196 1.016 1.00 1.01 N ATOM 187 CA GLU A -6 8.446 4.407 1.362 1.00 1.15 C ATOM 188 C GLU A -6 7.492 5.478 1.892 1.00 1.03 C ATOM 189 O GLU A -6 7.429 6.589 1.368 1.00 1.77 O ATOM 190 CB GLU A -6 9.182 4.928 0.124 1.00 1.65 C ATOM 191 CG GLU A -6 10.224 3.961 -0.417 1.00 2.27 C ATOM 192 CD GLU A -6 10.514 4.179 -1.886 1.00 2.92 C ATOM 193 OE1 GLU A -6 11.139 5.207 -2.223 1.00 3.35 O ATOM 194 OE2 GLU A -6 10.134 3.323 -2.711 1.00 3.44 O ATOM 0 H GLU A -6 6.887 3.364 0.439 1.00 1.01 H new ATOM 0 HA GLU A -6 9.169 4.172 2.143 1.00 1.15 H new ATOM 0 HB2 GLU A -6 8.454 5.140 -0.659 1.00 1.65 H new ATOM 0 HB3 GLU A -6 9.668 5.872 0.371 1.00 1.65 H new ATOM 0 HG2 GLU A -6 11.147 4.072 0.152 1.00 2.27 H new ATOM 0 HG3 GLU A -6 9.878 2.938 -0.267 1.00 2.27 H new ATOM 201 N VAL A -5 6.741 5.127 2.924 1.00 0.68 N ATOM 202 CA VAL A -5 5.754 6.026 3.509 1.00 0.59 C ATOM 203 C VAL A -5 5.758 5.856 5.036 1.00 0.89 C ATOM 204 O VAL A -5 4.727 5.689 5.690 1.00 1.67 O ATOM 205 CB VAL A -5 4.349 5.767 2.891 1.00 0.46 C ATOM 206 CG1 VAL A -5 3.957 4.308 3.012 1.00 0.71 C ATOM 207 CG2 VAL A -5 3.278 6.667 3.492 1.00 0.85 C ATOM 0 H VAL A -5 6.796 4.216 3.379 1.00 0.68 H new ATOM 0 HA VAL A -5 6.012 7.061 3.283 1.00 0.59 H new ATOM 0 HB VAL A -5 4.421 6.016 1.832 1.00 0.46 H new ATOM 0 HG11 VAL A -5 2.971 4.158 2.572 1.00 0.71 H new ATOM 0 HG12 VAL A -5 4.686 3.691 2.487 1.00 0.71 H new ATOM 0 HG13 VAL A -5 3.931 4.024 4.064 1.00 0.71 H new ATOM 0 HG21 VAL A -5 2.316 6.448 3.028 1.00 0.85 H new ATOM 0 HG22 VAL A -5 3.212 6.488 4.565 1.00 0.85 H new ATOM 0 HG23 VAL A -5 3.538 7.711 3.314 1.00 0.85 H new ATOM 217 N LEU A -4 6.954 5.923 5.601 1.00 0.83 N ATOM 218 CA LEU A -4 7.155 5.654 7.021 1.00 1.12 C ATOM 219 C LEU A -4 6.796 6.859 7.885 1.00 1.15 C ATOM 220 O LEU A -4 6.954 6.827 9.107 1.00 1.67 O ATOM 221 CB LEU A -4 8.604 5.203 7.277 1.00 1.58 C ATOM 222 CG LEU A -4 9.709 6.085 6.677 1.00 2.31 C ATOM 223 CD1 LEU A -4 9.936 7.340 7.508 1.00 3.12 C ATOM 224 CD2 LEU A -4 11.002 5.296 6.545 1.00 2.85 C ATOM 0 H LEU A -4 7.807 6.163 5.096 1.00 0.83 H new ATOM 0 HA LEU A -4 6.481 4.846 7.306 1.00 1.12 H new ATOM 0 HB2 LEU A -4 8.759 5.146 8.354 1.00 1.58 H new ATOM 0 HB3 LEU A -4 8.722 4.193 6.885 1.00 1.58 H new ATOM 0 HG LEU A -4 9.382 6.399 5.686 1.00 2.31 H new ATOM 0 HD11 LEU A -4 10.725 7.940 7.053 1.00 3.12 H new ATOM 0 HD12 LEU A -4 9.015 7.922 7.548 1.00 3.12 H new ATOM 0 HD13 LEU A -4 10.231 7.059 8.519 1.00 3.12 H new ATOM 0 HD21 LEU A -4 11.776 5.934 6.118 1.00 2.85 H new ATOM 0 HD22 LEU A -4 11.319 4.950 7.529 1.00 2.85 H new ATOM 0 HD23 LEU A -4 10.840 4.438 5.893 1.00 2.85 H new ATOM 236 N PHE A -3 6.307 7.918 7.255 1.00 1.03 N ATOM 237 CA PHE A -3 5.936 9.122 7.985 1.00 1.19 C ATOM 238 C PHE A -3 4.524 9.008 8.560 1.00 1.23 C ATOM 239 O PHE A -3 4.124 9.817 9.398 1.00 2.17 O ATOM 240 CB PHE A -3 6.060 10.368 7.095 1.00 1.32 C ATOM 241 CG PHE A -3 5.215 10.342 5.849 1.00 1.09 C ATOM 242 CD1 PHE A -3 5.723 9.848 4.658 1.00 1.05 C ATOM 243 CD2 PHE A -3 3.907 10.798 5.875 1.00 1.27 C ATOM 244 CE1 PHE A -3 4.943 9.812 3.518 1.00 1.10 C ATOM 245 CE2 PHE A -3 3.124 10.766 4.738 1.00 1.30 C ATOM 246 CZ PHE A -3 3.668 10.320 3.540 1.00 1.15 C ATOM 0 H PHE A -3 6.159 7.968 6.247 1.00 1.03 H new ATOM 0 HA PHE A -3 6.631 9.229 8.818 1.00 1.19 H new ATOM 0 HB2 PHE A -3 5.789 11.245 7.683 1.00 1.32 H new ATOM 0 HB3 PHE A -3 7.104 10.488 6.806 1.00 1.32 H new ATOM 0 HD1 PHE A -3 6.740 9.487 4.620 1.00 1.05 H new ATOM 0 HD2 PHE A -3 3.495 11.183 6.796 1.00 1.27 H new ATOM 0 HE1 PHE A -3 5.337 9.384 2.608 1.00 1.10 H new ATOM 0 HE2 PHE A -3 2.093 11.086 4.780 1.00 1.30 H new ATOM 0 HZ PHE A -3 3.090 10.373 2.629 1.00 1.15 H new ATOM 256 N GLN A -2 3.775 8.001 8.115 1.00 0.89 N ATOM 257 CA GLN A -2 2.416 7.794 8.606 1.00 0.86 C ATOM 258 C GLN A -2 1.921 6.383 8.298 1.00 1.00 C ATOM 259 O GLN A -2 1.734 6.025 7.133 1.00 1.69 O ATOM 260 CB GLN A -2 1.463 8.823 7.984 1.00 1.18 C ATOM 261 CG GLN A -2 0.058 8.779 8.561 1.00 1.89 C ATOM 262 CD GLN A -2 0.042 8.939 10.068 1.00 2.22 C ATOM 263 OE1 GLN A -2 0.079 7.958 10.809 1.00 2.74 O ATOM 264 NE2 GLN A -2 0.012 10.176 10.527 1.00 2.71 N ATOM 0 H GLN A -2 4.084 7.321 7.421 1.00 0.89 H new ATOM 0 HA GLN A -2 2.432 7.922 9.688 1.00 0.86 H new ATOM 0 HB2 GLN A -2 1.875 9.822 8.129 1.00 1.18 H new ATOM 0 HB3 GLN A -2 1.410 8.653 6.909 1.00 1.18 H new ATOM 0 HG2 GLN A -2 -0.541 9.569 8.109 1.00 1.89 H new ATOM 0 HG3 GLN A -2 -0.411 7.832 8.295 1.00 1.89 H new ATOM 0 HE21 GLN A -2 -0.018 10.961 9.876 1.00 2.71 H new ATOM 0 HE22 GLN A -2 0.019 10.347 11.533 1.00 2.71 H new ATOM 273 N GLY A -1 1.713 5.588 9.343 1.00 0.85 N ATOM 274 CA GLY A -1 1.146 4.263 9.165 1.00 1.20 C ATOM 275 C GLY A -1 1.958 3.167 9.833 1.00 0.93 C ATOM 276 O GLY A -1 3.188 3.205 9.816 1.00 1.43 O ATOM 0 H GLY A -1 1.927 5.837 10.309 1.00 0.85 H new ATOM 0 HA2 GLY A -1 0.133 4.252 9.568 1.00 1.20 H new ATOM 0 HA3 GLY A -1 1.068 4.049 8.099 1.00 1.20 H new ATOM 280 N PRO A 0 1.289 2.187 10.456 1.00 0.95 N ATOM 281 CA PRO A 0 1.942 1.021 11.054 1.00 1.19 C ATOM 282 C PRO A 0 2.030 -0.169 10.086 1.00 1.08 C ATOM 283 O PRO A 0 2.072 0.008 8.865 1.00 1.62 O ATOM 284 CB PRO A 0 0.996 0.704 12.209 1.00 1.86 C ATOM 285 CG PRO A 0 -0.361 1.063 11.700 1.00 2.08 C ATOM 286 CD PRO A 0 -0.170 2.155 10.674 1.00 1.60 C ATOM 0 HA PRO A 0 2.976 1.211 11.343 1.00 1.19 H new ATOM 0 HB2 PRO A 0 1.049 -0.349 12.486 1.00 1.86 H new ATOM 0 HB3 PRO A 0 1.250 1.281 13.098 1.00 1.86 H new ATOM 0 HG2 PRO A 0 -0.848 0.196 11.255 1.00 2.08 H new ATOM 0 HG3 PRO A 0 -1.001 1.405 12.514 1.00 2.08 H new ATOM 0 HD2 PRO A 0 -0.707 1.934 9.751 1.00 1.60 H new ATOM 0 HD3 PRO A 0 -0.541 3.114 11.037 1.00 1.60 H new ATOM 294 N ARG A 1 2.089 -1.376 10.650 1.00 1.01 N ATOM 295 CA ARG A 1 2.038 -2.610 9.872 1.00 1.19 C ATOM 296 C ARG A 1 1.137 -3.620 10.587 1.00 0.86 C ATOM 297 O ARG A 1 0.822 -3.437 11.764 1.00 1.02 O ATOM 298 CB ARG A 1 3.443 -3.187 9.668 1.00 1.95 C ATOM 299 CG ARG A 1 4.208 -3.427 10.959 1.00 2.38 C ATOM 300 CD ARG A 1 5.541 -4.113 10.701 1.00 3.12 C ATOM 301 NE ARG A 1 6.434 -3.295 9.883 1.00 3.69 N ATOM 302 CZ ARG A 1 7.394 -3.789 9.100 1.00 4.54 C ATOM 303 NH1 ARG A 1 7.564 -5.101 8.991 1.00 4.90 N ATOM 304 NH2 ARG A 1 8.180 -2.964 8.418 1.00 5.35 N ATOM 0 H ARG A 1 2.173 -1.523 11.656 1.00 1.01 H new ATOM 0 HA ARG A 1 1.625 -2.393 8.887 1.00 1.19 H new ATOM 0 HB2 ARG A 1 3.362 -4.129 9.126 1.00 1.95 H new ATOM 0 HB3 ARG A 1 4.016 -2.506 9.040 1.00 1.95 H new ATOM 0 HG2 ARG A 1 4.379 -2.476 11.463 1.00 2.38 H new ATOM 0 HG3 ARG A 1 3.607 -4.040 11.630 1.00 2.38 H new ATOM 0 HD2 ARG A 1 6.024 -4.334 11.653 1.00 3.12 H new ATOM 0 HD3 ARG A 1 5.366 -5.067 10.203 1.00 3.12 H new ATOM 0 HE ARG A 1 6.316 -2.282 9.913 1.00 3.69 H new ATOM 0 HH11 ARG A 1 6.958 -5.738 9.508 1.00 4.90 H new ATOM 0 HH12 ARG A 1 8.300 -5.472 8.390 1.00 4.90 H new ATOM 0 HH21 ARG A 1 8.049 -1.955 8.494 1.00 5.35 H new ATOM 0 HH22 ARG A 1 8.915 -3.339 7.818 1.00 5.35 H new ATOM 318 N ARG A 2 0.733 -4.686 9.898 1.00 0.78 N ATOM 319 CA ARG A 2 -0.255 -5.612 10.466 1.00 0.56 C ATOM 320 C ARG A 2 -0.073 -7.039 9.920 1.00 0.65 C ATOM 321 O ARG A 2 -0.997 -7.848 9.950 1.00 1.49 O ATOM 322 CB ARG A 2 -1.691 -5.116 10.194 1.00 0.50 C ATOM 323 CG ARG A 2 -2.710 -5.673 11.159 1.00 0.88 C ATOM 324 CD ARG A 2 -4.107 -5.146 10.871 1.00 1.32 C ATOM 325 NE ARG A 2 -5.098 -5.689 11.799 1.00 1.72 N ATOM 326 CZ ARG A 2 -6.415 -5.678 11.584 1.00 2.37 C ATOM 327 NH1 ARG A 2 -6.906 -5.156 10.466 1.00 2.94 N ATOM 328 NH2 ARG A 2 -7.237 -6.198 12.485 1.00 2.90 N ATOM 0 H ARG A 2 1.064 -4.930 8.965 1.00 0.78 H new ATOM 0 HA ARG A 2 -0.092 -5.641 11.543 1.00 0.56 H new ATOM 0 HB2 ARG A 2 -1.708 -4.027 10.247 1.00 0.50 H new ATOM 0 HB3 ARG A 2 -1.976 -5.390 9.178 1.00 0.50 H new ATOM 0 HG2 ARG A 2 -2.712 -6.761 11.097 1.00 0.88 H new ATOM 0 HG3 ARG A 2 -2.426 -5.412 12.178 1.00 0.88 H new ATOM 0 HD2 ARG A 2 -4.105 -4.058 10.938 1.00 1.32 H new ATOM 0 HD3 ARG A 2 -4.388 -5.402 9.849 1.00 1.32 H new ATOM 0 HE ARG A 2 -4.760 -6.103 12.668 1.00 1.72 H new ATOM 0 HH11 ARG A 2 -6.276 -4.761 9.768 1.00 2.94 H new ATOM 0 HH12 ARG A 2 -7.913 -5.150 10.306 1.00 2.94 H new ATOM 0 HH21 ARG A 2 -6.863 -6.606 13.342 1.00 2.90 H new ATOM 0 HH22 ARG A 2 -8.244 -6.190 12.322 1.00 2.90 H new ATOM 342 N ALA A 3 1.130 -7.326 9.428 1.00 0.64 N ATOM 343 CA ALA A 3 1.518 -8.679 8.979 1.00 0.58 C ATOM 344 C ALA A 3 0.681 -9.220 7.811 1.00 0.60 C ATOM 345 O ALA A 3 0.998 -8.969 6.647 1.00 1.09 O ATOM 346 CB ALA A 3 1.488 -9.661 10.142 1.00 0.69 C ATOM 0 H ALA A 3 1.871 -6.632 9.326 1.00 0.64 H new ATOM 0 HA ALA A 3 2.536 -8.579 8.601 1.00 0.58 H new ATOM 0 HB1 ALA A 3 1.777 -10.651 9.790 1.00 0.69 H new ATOM 0 HB2 ALA A 3 2.185 -9.333 10.913 1.00 0.69 H new ATOM 0 HB3 ALA A 3 0.481 -9.703 10.557 1.00 0.69 H new ATOM 352 N GLY A 4 -0.383 -9.955 8.122 1.00 0.44 N ATOM 353 CA GLY A 4 -1.104 -10.699 7.101 1.00 0.52 C ATOM 354 C GLY A 4 -2.577 -10.337 7.022 1.00 0.39 C ATOM 355 O GLY A 4 -3.442 -11.210 7.102 1.00 0.54 O ATOM 0 H GLY A 4 -0.760 -10.049 9.065 1.00 0.44 H new ATOM 0 HA2 GLY A 4 -0.640 -10.516 6.132 1.00 0.52 H new ATOM 0 HA3 GLY A 4 -1.009 -11.766 7.304 1.00 0.52 H new ATOM 359 N THR A 5 -2.865 -9.053 6.887 1.00 0.26 N ATOM 360 CA THR A 5 -4.240 -8.575 6.746 1.00 0.18 C ATOM 361 C THR A 5 -4.646 -8.550 5.271 1.00 0.14 C ATOM 362 O THR A 5 -3.954 -9.122 4.436 1.00 0.15 O ATOM 363 CB THR A 5 -4.344 -7.160 7.355 1.00 0.25 C ATOM 364 OG1 THR A 5 -3.448 -7.074 8.465 1.00 0.38 O ATOM 365 CG2 THR A 5 -5.764 -6.849 7.842 1.00 0.34 C ATOM 0 H THR A 5 -2.162 -8.314 6.871 1.00 0.26 H new ATOM 0 HA THR A 5 -4.916 -9.249 7.272 1.00 0.18 H new ATOM 0 HB THR A 5 -4.087 -6.437 6.581 1.00 0.25 H new ATOM 0 HG1 THR A 5 -3.859 -7.492 9.250 1.00 0.38 H new ATOM 0 HG21 THR A 5 -5.792 -5.844 8.263 1.00 0.34 H new ATOM 0 HG22 THR A 5 -6.458 -6.911 7.004 1.00 0.34 H new ATOM 0 HG23 THR A 5 -6.053 -7.571 8.606 1.00 0.34 H new ATOM 373 N CYS A 6 -5.785 -7.933 4.964 1.00 0.15 N ATOM 374 CA CYS A 6 -6.191 -7.683 3.580 1.00 0.14 C ATOM 375 C CYS A 6 -6.340 -6.191 3.313 1.00 0.13 C ATOM 376 O CYS A 6 -6.676 -5.423 4.217 1.00 0.15 O ATOM 377 CB CYS A 6 -7.510 -8.387 3.306 1.00 0.17 C ATOM 378 SG CYS A 6 -8.757 -8.139 4.594 1.00 0.86 S ATOM 0 H CYS A 6 -6.449 -7.594 5.660 1.00 0.15 H new ATOM 0 HA CYS A 6 -5.418 -8.071 2.917 1.00 0.14 H new ATOM 0 HB2 CYS A 6 -7.909 -8.033 2.355 1.00 0.17 H new ATOM 0 HB3 CYS A 6 -7.324 -9.455 3.195 1.00 0.17 H new ATOM 0 HG CYS A 6 -9.845 -8.773 4.272 1.00 0.86 H new ATOM 384 N CYS A 7 -6.081 -5.771 2.073 1.00 0.12 N ATOM 385 CA CYS A 7 -6.135 -4.346 1.752 1.00 0.11 C ATOM 386 C CYS A 7 -7.583 -3.884 1.542 1.00 0.10 C ATOM 387 O CYS A 7 -8.322 -4.509 0.786 1.00 0.10 O ATOM 388 CB CYS A 7 -5.284 -3.993 0.508 1.00 0.14 C ATOM 389 SG CYS A 7 -5.309 -2.217 0.147 1.00 0.21 S ATOM 0 H CYS A 7 -5.838 -6.381 1.293 1.00 0.12 H new ATOM 0 HA CYS A 7 -5.712 -3.818 2.606 1.00 0.11 H new ATOM 0 HB2 CYS A 7 -4.255 -4.315 0.670 1.00 0.14 H new ATOM 0 HB3 CYS A 7 -5.659 -4.543 -0.355 1.00 0.14 H new ATOM 394 N ALA A 8 -7.968 -2.788 2.217 1.00 0.13 N ATOM 395 CA ALA A 8 -9.274 -2.119 2.046 1.00 0.17 C ATOM 396 C ALA A 8 -9.481 -1.566 0.629 1.00 0.21 C ATOM 397 O ALA A 8 -10.251 -0.627 0.421 1.00 0.31 O ATOM 398 CB ALA A 8 -9.421 -0.981 3.054 1.00 0.18 C ATOM 0 H ALA A 8 -7.373 -2.333 2.909 1.00 0.13 H new ATOM 0 HA ALA A 8 -10.035 -2.880 2.218 1.00 0.17 H new ATOM 0 HB1 ALA A 8 -10.388 -0.496 2.917 1.00 0.18 H new ATOM 0 HB2 ALA A 8 -9.355 -1.381 4.066 1.00 0.18 H new ATOM 0 HB3 ALA A 8 -8.625 -0.253 2.899 1.00 0.18 H new ATOM 404 N ASN A 9 -8.801 -2.158 -0.334 1.00 0.18 N ATOM 405 CA ASN A 9 -8.779 -1.663 -1.700 1.00 0.23 C ATOM 406 C ASN A 9 -8.337 -2.753 -2.678 1.00 0.24 C ATOM 407 O ASN A 9 -8.924 -2.902 -3.749 1.00 0.32 O ATOM 408 CB ASN A 9 -7.846 -0.449 -1.807 1.00 0.26 C ATOM 409 CG ASN A 9 -7.707 0.056 -3.236 1.00 0.38 C ATOM 410 OD1 ASN A 9 -8.509 0.862 -3.705 1.00 0.53 O ATOM 411 ND2 ASN A 9 -6.668 -0.402 -3.929 1.00 0.57 N ATOM 0 H ASN A 9 -8.245 -3.001 -0.191 1.00 0.18 H new ATOM 0 HA ASN A 9 -9.792 -1.362 -1.965 1.00 0.23 H new ATOM 0 HB2 ASN A 9 -8.227 0.355 -1.177 1.00 0.26 H new ATOM 0 HB3 ASN A 9 -6.862 -0.716 -1.422 1.00 0.26 H new ATOM 0 HD21 ASN A 9 -6.514 -0.085 -4.886 1.00 0.57 H new ATOM 0 HD22 ASN A 9 -6.026 -1.070 -3.503 1.00 0.57 H new ATOM 418 N CYS A 10 -7.301 -3.517 -2.317 1.00 0.21 N ATOM 419 CA CYS A 10 -6.760 -4.518 -3.234 1.00 0.28 C ATOM 420 C CYS A 10 -7.007 -5.944 -2.741 1.00 0.22 C ATOM 421 O CYS A 10 -6.721 -6.904 -3.454 1.00 0.31 O ATOM 422 CB CYS A 10 -5.257 -4.299 -3.444 1.00 0.52 C ATOM 423 SG CYS A 10 -4.791 -2.579 -3.641 1.00 0.76 S ATOM 0 H CYS A 10 -6.830 -3.462 -1.414 1.00 0.21 H new ATOM 0 HA CYS A 10 -7.283 -4.396 -4.182 1.00 0.28 H new ATOM 0 HB2 CYS A 10 -4.717 -4.716 -2.594 1.00 0.52 H new ATOM 0 HB3 CYS A 10 -4.939 -4.854 -4.327 1.00 0.52 H new ATOM 428 N GLN A 11 -7.559 -6.063 -1.529 1.00 0.18 N ATOM 429 CA GLN A 11 -7.743 -7.338 -0.833 1.00 0.21 C ATOM 430 C GLN A 11 -6.521 -8.268 -0.892 1.00 0.26 C ATOM 431 O GLN A 11 -6.633 -9.453 -0.589 1.00 0.34 O ATOM 432 CB GLN A 11 -8.981 -8.044 -1.378 1.00 0.24 C ATOM 433 CG GLN A 11 -10.299 -7.417 -0.948 1.00 0.74 C ATOM 434 CD GLN A 11 -10.598 -6.121 -1.677 1.00 1.26 C ATOM 435 OE1 GLN A 11 -10.234 -5.034 -1.222 1.00 1.77 O ATOM 436 NE2 GLN A 11 -11.256 -6.225 -2.816 1.00 1.90 N ATOM 0 H GLN A 11 -7.896 -5.261 -0.996 1.00 0.18 H new ATOM 0 HA GLN A 11 -7.876 -7.099 0.222 1.00 0.21 H new ATOM 0 HB2 GLN A 11 -8.932 -8.049 -2.467 1.00 0.24 H new ATOM 0 HB3 GLN A 11 -8.964 -9.084 -1.054 1.00 0.24 H new ATOM 0 HG2 GLN A 11 -11.108 -8.125 -1.127 1.00 0.74 H new ATOM 0 HG3 GLN A 11 -10.273 -7.227 0.125 1.00 0.74 H new ATOM 0 HE21 GLN A 11 -11.540 -7.143 -3.159 1.00 1.90 H new ATOM 0 HE22 GLN A 11 -11.481 -5.388 -3.353 1.00 1.90 H new ATOM 445 N THR A 12 -5.367 -7.737 -1.273 1.00 0.25 N ATOM 446 CA THR A 12 -4.137 -8.491 -1.231 1.00 0.26 C ATOM 447 C THR A 12 -3.773 -8.772 0.209 1.00 0.21 C ATOM 448 O THR A 12 -4.112 -8.004 1.111 1.00 0.19 O ATOM 449 CB THR A 12 -2.960 -7.761 -1.930 1.00 0.28 C ATOM 450 OG1 THR A 12 -1.884 -8.681 -2.144 1.00 0.33 O ATOM 451 CG2 THR A 12 -2.446 -6.588 -1.095 1.00 0.24 C ATOM 0 H THR A 12 -5.265 -6.782 -1.615 1.00 0.25 H new ATOM 0 HA THR A 12 -4.307 -9.420 -1.775 1.00 0.26 H new ATOM 0 HB THR A 12 -3.329 -7.373 -2.880 1.00 0.28 H new ATOM 0 HG1 THR A 12 -2.188 -9.592 -1.948 1.00 0.33 H new ATOM 0 HG21 THR A 12 -1.622 -6.102 -1.618 1.00 0.24 H new ATOM 0 HG22 THR A 12 -3.252 -5.870 -0.941 1.00 0.24 H new ATOM 0 HG23 THR A 12 -2.097 -6.954 -0.129 1.00 0.24 H new ATOM 459 N THR A 13 -3.108 -9.880 0.409 1.00 0.22 N ATOM 460 CA THR A 13 -2.665 -10.285 1.722 1.00 0.23 C ATOM 461 C THR A 13 -1.185 -10.610 1.667 1.00 0.26 C ATOM 462 O THR A 13 -0.643 -11.340 2.501 1.00 0.42 O ATOM 463 CB THR A 13 -3.479 -11.484 2.241 1.00 0.28 C ATOM 464 OG1 THR A 13 -3.447 -12.559 1.289 1.00 0.33 O ATOM 465 CG2 THR A 13 -4.920 -11.059 2.485 1.00 0.28 C ATOM 0 H THR A 13 -2.856 -10.531 -0.335 1.00 0.22 H new ATOM 0 HA THR A 13 -2.827 -9.465 2.422 1.00 0.23 H new ATOM 0 HB THR A 13 -3.038 -11.829 3.176 1.00 0.28 H new ATOM 0 HG1 THR A 13 -3.967 -13.315 1.632 1.00 0.33 H new ATOM 0 HG21 THR A 13 -5.493 -11.910 2.852 1.00 0.28 H new ATOM 0 HG22 THR A 13 -4.943 -10.259 3.225 1.00 0.28 H new ATOM 0 HG23 THR A 13 -5.357 -10.703 1.552 1.00 0.28 H new ATOM 473 N THR A 14 -0.541 -10.042 0.662 1.00 0.22 N ATOM 474 CA THR A 14 0.895 -10.161 0.507 1.00 0.26 C ATOM 475 C THR A 14 1.514 -8.761 0.515 1.00 0.23 C ATOM 476 O THR A 14 1.985 -8.234 -0.493 1.00 0.36 O ATOM 477 CB THR A 14 1.315 -10.984 -0.751 1.00 0.38 C ATOM 478 OG1 THR A 14 2.736 -11.169 -0.765 1.00 1.26 O ATOM 479 CG2 THR A 14 0.889 -10.339 -2.068 1.00 1.04 C ATOM 0 H THR A 14 -0.997 -9.489 -0.064 1.00 0.22 H new ATOM 0 HA THR A 14 1.281 -10.732 1.351 1.00 0.26 H new ATOM 0 HB THR A 14 0.798 -11.940 -0.674 1.00 0.38 H new ATOM 0 HG1 THR A 14 2.991 -11.688 -1.557 1.00 1.26 H new ATOM 0 HG21 THR A 14 1.213 -10.964 -2.901 1.00 1.04 H new ATOM 0 HG22 THR A 14 -0.196 -10.239 -2.090 1.00 1.04 H new ATOM 0 HG23 THR A 14 1.346 -9.353 -2.155 1.00 1.04 H new ATOM 487 N THR A 15 1.493 -8.161 1.688 1.00 0.17 N ATOM 488 CA THR A 15 1.960 -6.791 1.869 1.00 0.17 C ATOM 489 C THR A 15 2.530 -6.633 3.276 1.00 0.20 C ATOM 490 O THR A 15 1.979 -7.170 4.237 1.00 0.26 O ATOM 491 CB THR A 15 0.842 -5.741 1.619 1.00 0.20 C ATOM 492 OG1 THR A 15 0.214 -5.991 0.358 1.00 0.40 O ATOM 493 CG2 THR A 15 1.432 -4.346 1.602 1.00 0.29 C ATOM 0 H THR A 15 1.154 -8.603 2.543 1.00 0.17 H new ATOM 0 HA THR A 15 2.736 -6.605 1.127 1.00 0.17 H new ATOM 0 HB THR A 15 0.108 -5.818 2.421 1.00 0.20 H new ATOM 0 HG1 THR A 15 0.575 -5.377 -0.315 1.00 0.40 H new ATOM 0 HG21 THR A 15 0.640 -3.618 1.426 1.00 0.29 H new ATOM 0 HG22 THR A 15 1.907 -4.140 2.561 1.00 0.29 H new ATOM 0 HG23 THR A 15 2.174 -4.274 0.807 1.00 0.29 H new ATOM 501 N THR A 16 3.643 -5.929 3.395 1.00 0.25 N ATOM 502 CA THR A 16 4.331 -5.809 4.672 1.00 0.31 C ATOM 503 C THR A 16 3.985 -4.496 5.375 1.00 0.25 C ATOM 504 O THR A 16 4.233 -4.330 6.570 1.00 0.30 O ATOM 505 CB THR A 16 5.859 -5.895 4.465 1.00 0.43 C ATOM 506 OG1 THR A 16 6.165 -6.992 3.594 1.00 0.51 O ATOM 507 CG2 THR A 16 6.587 -6.090 5.788 1.00 0.54 C ATOM 0 H THR A 16 4.090 -5.432 2.625 1.00 0.25 H new ATOM 0 HA THR A 16 3.999 -6.633 5.303 1.00 0.31 H new ATOM 0 HB THR A 16 6.193 -4.957 4.022 1.00 0.43 H new ATOM 0 HG1 THR A 16 7.135 -7.044 3.462 1.00 0.51 H new ATOM 0 HG21 THR A 16 7.660 -6.147 5.608 1.00 0.54 H new ATOM 0 HG22 THR A 16 6.374 -5.249 6.448 1.00 0.54 H new ATOM 0 HG23 THR A 16 6.249 -7.014 6.257 1.00 0.54 H new ATOM 515 N LEU A 17 3.369 -3.578 4.647 1.00 0.21 N ATOM 516 CA LEU A 17 3.205 -2.211 5.158 1.00 0.21 C ATOM 517 C LEU A 17 1.728 -1.816 5.216 1.00 0.18 C ATOM 518 O LEU A 17 1.221 -1.114 4.340 1.00 0.29 O ATOM 519 CB LEU A 17 3.991 -1.241 4.270 1.00 0.35 C ATOM 520 CG LEU A 17 4.197 0.154 4.841 1.00 0.45 C ATOM 521 CD1 LEU A 17 5.026 0.073 6.110 1.00 0.79 C ATOM 522 CD2 LEU A 17 4.875 1.057 3.828 1.00 0.76 C ATOM 0 H LEU A 17 2.979 -3.741 3.719 1.00 0.21 H new ATOM 0 HA LEU A 17 3.594 -2.166 6.175 1.00 0.21 H new ATOM 0 HB2 LEU A 17 4.968 -1.677 4.063 1.00 0.35 H new ATOM 0 HB3 LEU A 17 3.473 -1.150 3.315 1.00 0.35 H new ATOM 0 HG LEU A 17 3.222 0.580 5.076 1.00 0.45 H new ATOM 0 HD11 LEU A 17 5.171 1.075 6.515 1.00 0.79 H new ATOM 0 HD12 LEU A 17 4.508 -0.544 6.844 1.00 0.79 H new ATOM 0 HD13 LEU A 17 5.996 -0.370 5.883 1.00 0.79 H new ATOM 0 HD21 LEU A 17 5.012 2.049 4.259 1.00 0.76 H new ATOM 0 HD22 LEU A 17 5.846 0.640 3.562 1.00 0.76 H new ATOM 0 HD23 LEU A 17 4.255 1.132 2.935 1.00 0.76 H new ATOM 534 N TRP A 18 1.051 -2.269 6.263 1.00 0.13 N ATOM 535 CA TRP A 18 -0.376 -2.029 6.428 1.00 0.11 C ATOM 536 C TRP A 18 -0.660 -0.701 7.143 1.00 0.12 C ATOM 537 O TRP A 18 -0.674 -0.627 8.372 1.00 0.18 O ATOM 538 CB TRP A 18 -1.017 -3.180 7.210 1.00 0.11 C ATOM 539 CG TRP A 18 -0.881 -4.509 6.538 1.00 0.10 C ATOM 540 CD1 TRP A 18 0.050 -5.464 6.800 1.00 0.12 C ATOM 541 CD2 TRP A 18 -1.714 -5.045 5.495 1.00 0.08 C ATOM 542 NE1 TRP A 18 -0.153 -6.542 6.007 1.00 0.12 N ATOM 543 CE2 TRP A 18 -1.219 -6.320 5.198 1.00 0.09 C ATOM 544 CE3 TRP A 18 -2.826 -4.579 4.785 1.00 0.09 C ATOM 545 CZ2 TRP A 18 -1.782 -7.138 4.237 1.00 0.09 C ATOM 546 CZ3 TRP A 18 -3.398 -5.395 3.827 1.00 0.09 C ATOM 547 CH2 TRP A 18 -2.885 -6.658 3.561 1.00 0.08 C ATOM 0 H TRP A 18 1.473 -2.810 7.018 1.00 0.13 H new ATOM 0 HA TRP A 18 -0.811 -1.970 5.430 1.00 0.11 H new ATOM 0 HB2 TRP A 18 -0.562 -3.234 8.199 1.00 0.11 H new ATOM 0 HB3 TRP A 18 -2.075 -2.963 7.357 1.00 0.11 H new ATOM 0 HD1 TRP A 18 0.837 -5.376 7.534 1.00 0.12 H new ATOM 0 HE1 TRP A 18 0.410 -7.392 6.016 1.00 0.12 H new ATOM 0 HE3 TRP A 18 -3.231 -3.597 4.982 1.00 0.09 H new ATOM 0 HZ2 TRP A 18 -1.375 -8.115 4.023 1.00 0.09 H new ATOM 0 HZ3 TRP A 18 -4.258 -5.045 3.276 1.00 0.09 H new ATOM 0 HH2 TRP A 18 -3.358 -7.275 2.812 1.00 0.08 H new ATOM 558 N ARG A 19 -0.914 0.332 6.354 1.00 0.12 N ATOM 559 CA ARG A 19 -1.328 1.658 6.866 1.00 0.13 C ATOM 560 C ARG A 19 -2.850 1.726 6.979 1.00 0.13 C ATOM 561 O ARG A 19 -3.541 0.788 6.592 1.00 0.15 O ATOM 562 CB ARG A 19 -0.815 2.756 5.922 1.00 0.19 C ATOM 563 CG ARG A 19 0.021 2.201 4.786 1.00 0.28 C ATOM 564 CD ARG A 19 1.053 3.201 4.282 1.00 0.29 C ATOM 565 NE ARG A 19 1.942 3.744 5.337 1.00 0.61 N ATOM 566 CZ ARG A 19 2.617 3.044 6.275 1.00 1.00 C ATOM 567 NH1 ARG A 19 2.381 1.760 6.511 1.00 2.03 N ATOM 568 NH2 ARG A 19 3.525 3.668 7.013 1.00 1.09 N ATOM 0 H ARG A 19 -0.843 0.289 5.337 1.00 0.12 H new ATOM 0 HA ARG A 19 -0.900 1.810 7.857 1.00 0.13 H new ATOM 0 HB2 ARG A 19 -1.664 3.303 5.511 1.00 0.19 H new ATOM 0 HB3 ARG A 19 -0.220 3.471 6.491 1.00 0.19 H new ATOM 0 HG2 ARG A 19 0.529 1.296 5.121 1.00 0.28 H new ATOM 0 HG3 ARG A 19 -0.634 1.913 3.964 1.00 0.28 H new ATOM 0 HD2 ARG A 19 1.665 2.720 3.519 1.00 0.29 H new ATOM 0 HD3 ARG A 19 0.534 4.029 3.799 1.00 0.29 H new ATOM 0 HE ARG A 19 2.057 4.757 5.357 1.00 0.61 H new ATOM 0 HH11 ARG A 19 1.668 1.266 5.975 1.00 2.03 H new ATOM 0 HH12 ARG A 19 2.913 1.267 7.228 1.00 2.03 H new ATOM 0 HH21 ARG A 19 3.705 4.662 6.868 1.00 1.09 H new ATOM 0 HH22 ARG A 19 4.044 3.154 7.726 1.00 1.09 H new ATOM 582 N ARG A 20 -3.369 2.808 7.559 1.00 0.15 N ATOM 583 CA ARG A 20 -4.803 3.014 7.640 1.00 0.17 C ATOM 584 C ARG A 20 -5.280 4.026 6.611 1.00 0.19 C ATOM 585 O ARG A 20 -4.547 4.949 6.238 1.00 0.25 O ATOM 586 CB ARG A 20 -5.195 3.498 9.034 1.00 0.28 C ATOM 587 CG ARG A 20 -5.152 2.423 10.098 1.00 1.13 C ATOM 588 CD ARG A 20 -5.388 1.033 9.525 1.00 1.98 C ATOM 589 NE ARG A 20 -5.452 0.013 10.569 1.00 2.63 N ATOM 590 CZ ARG A 20 -4.456 -0.821 10.864 1.00 3.24 C ATOM 591 NH1 ARG A 20 -3.313 -0.774 10.183 1.00 3.59 N ATOM 592 NH2 ARG A 20 -4.604 -1.711 11.836 1.00 3.90 N ATOM 0 H ARG A 20 -2.812 3.552 7.978 1.00 0.15 H new ATOM 0 HA ARG A 20 -5.279 2.055 7.435 1.00 0.17 H new ATOM 0 HB2 ARG A 20 -4.528 4.309 9.326 1.00 0.28 H new ATOM 0 HB3 ARG A 20 -6.202 3.913 8.993 1.00 0.28 H new ATOM 0 HG2 ARG A 20 -4.184 2.448 10.598 1.00 1.13 H new ATOM 0 HG3 ARG A 20 -5.907 2.634 10.855 1.00 1.13 H new ATOM 0 HD2 ARG A 20 -6.318 1.029 8.957 1.00 1.98 H new ATOM 0 HD3 ARG A 20 -4.587 0.788 8.828 1.00 1.98 H new ATOM 0 HE ARG A 20 -6.315 -0.066 11.107 1.00 2.63 H new ATOM 0 HH11 ARG A 20 -3.196 -0.096 9.430 1.00 3.59 H new ATOM 0 HH12 ARG A 20 -2.555 -1.416 10.414 1.00 3.59 H new ATOM 0 HH21 ARG A 20 -5.480 -1.756 12.357 1.00 3.90 H new ATOM 0 HH22 ARG A 20 -3.842 -2.350 12.063 1.00 3.90 H new ATOM 606 N ASN A 21 -6.509 3.837 6.146 1.00 0.18 N ATOM 607 CA ASN A 21 -7.155 4.818 5.280 1.00 0.18 C ATOM 608 C ASN A 21 -8.007 5.761 6.144 1.00 0.17 C ATOM 609 O ASN A 21 -7.946 5.648 7.369 1.00 0.17 O ATOM 610 CB ASN A 21 -8.016 4.159 4.174 1.00 0.19 C ATOM 611 CG ASN A 21 -9.338 3.556 4.660 1.00 0.17 C ATOM 612 OD1 ASN A 21 -9.774 3.774 5.788 1.00 0.18 O ATOM 613 ND2 ASN A 21 -10.001 2.802 3.798 1.00 0.20 N ATOM 0 H ASN A 21 -7.078 3.016 6.353 1.00 0.18 H new ATOM 0 HA ASN A 21 -6.377 5.382 4.765 1.00 0.18 H new ATOM 0 HB2 ASN A 21 -8.233 4.905 3.410 1.00 0.19 H new ATOM 0 HB3 ASN A 21 -7.429 3.374 3.696 1.00 0.19 H new ATOM 0 HD21 ASN A 21 -10.894 2.388 4.064 1.00 0.20 H new ATOM 0 HD22 ASN A 21 -9.619 2.635 2.867 1.00 0.20 H new ATOM 620 N ALA A 22 -8.854 6.616 5.541 1.00 0.19 N ATOM 621 CA ALA A 22 -9.598 7.641 6.294 1.00 0.24 C ATOM 622 C ALA A 22 -10.464 7.061 7.415 1.00 0.26 C ATOM 623 O ALA A 22 -10.822 7.766 8.359 1.00 0.36 O ATOM 624 CB ALA A 22 -10.488 8.428 5.355 1.00 0.29 C ATOM 0 H ALA A 22 -9.039 6.617 4.538 1.00 0.19 H new ATOM 0 HA ALA A 22 -8.848 8.283 6.755 1.00 0.24 H new ATOM 0 HB1 ALA A 22 -11.034 9.184 5.919 1.00 0.29 H new ATOM 0 HB2 ALA A 22 -9.876 8.915 4.596 1.00 0.29 H new ATOM 0 HB3 ALA A 22 -11.195 7.753 4.873 1.00 0.29 H new ATOM 630 N ASN A 23 -10.784 5.784 7.324 1.00 0.25 N ATOM 631 CA ASN A 23 -11.712 5.164 8.241 1.00 0.33 C ATOM 632 C ASN A 23 -10.921 4.391 9.271 1.00 0.24 C ATOM 633 O ASN A 23 -11.476 3.761 10.174 1.00 0.35 O ATOM 634 CB ASN A 23 -12.638 4.219 7.480 1.00 0.51 C ATOM 635 CG ASN A 23 -13.861 3.811 8.301 1.00 0.85 C ATOM 636 OD1 ASN A 23 -14.240 4.514 9.239 1.00 1.16 O ATOM 637 ND2 ASN A 23 -14.525 2.711 7.948 1.00 1.61 N ATOM 0 H ASN A 23 -10.409 5.153 6.616 1.00 0.25 H new ATOM 0 HA ASN A 23 -12.319 5.925 8.731 1.00 0.33 H new ATOM 0 HB2 ASN A 23 -12.967 4.701 6.559 1.00 0.51 H new ATOM 0 HB3 ASN A 23 -12.083 3.326 7.192 1.00 0.51 H new ATOM 0 HD21 ASN A 23 -15.365 2.437 8.458 1.00 1.61 H new ATOM 0 HD22 ASN A 23 -14.193 2.143 7.168 1.00 1.61 H new ATOM 644 N GLY A 24 -9.608 4.457 9.125 1.00 0.17 N ATOM 645 CA GLY A 24 -8.738 3.651 9.929 1.00 0.20 C ATOM 646 C GLY A 24 -8.705 2.238 9.412 1.00 0.18 C ATOM 647 O GLY A 24 -8.438 1.296 10.156 1.00 0.22 O ATOM 0 H GLY A 24 -9.133 5.062 8.456 1.00 0.17 H new ATOM 0 HA2 GLY A 24 -7.732 4.071 9.921 1.00 0.20 H new ATOM 0 HA3 GLY A 24 -9.079 3.658 10.964 1.00 0.20 H new ATOM 651 N ASP A 25 -8.986 2.092 8.122 1.00 0.15 N ATOM 652 CA ASP A 25 -9.073 0.771 7.523 1.00 0.16 C ATOM 653 C ASP A 25 -7.727 0.376 6.948 1.00 0.16 C ATOM 654 O ASP A 25 -7.007 1.199 6.393 1.00 0.26 O ATOM 655 CB ASP A 25 -10.153 0.688 6.440 1.00 0.20 C ATOM 656 CG ASP A 25 -11.042 -0.531 6.595 1.00 0.63 C ATOM 657 OD1 ASP A 25 -10.814 -1.537 5.898 1.00 1.27 O ATOM 658 OD2 ASP A 25 -11.983 -0.485 7.417 1.00 0.71 O ATOM 0 H ASP A 25 -9.155 2.865 7.479 1.00 0.15 H new ATOM 0 HA ASP A 25 -9.357 0.075 8.312 1.00 0.16 H new ATOM 0 HB2 ASP A 25 -10.767 1.588 6.475 1.00 0.20 H new ATOM 0 HB3 ASP A 25 -9.678 0.664 5.459 1.00 0.20 H new ATOM 663 N PRO A 26 -7.386 -0.893 7.105 1.00 0.11 N ATOM 664 CA PRO A 26 -6.096 -1.451 6.695 1.00 0.10 C ATOM 665 C PRO A 26 -5.872 -1.382 5.189 1.00 0.08 C ATOM 666 O PRO A 26 -6.730 -1.783 4.406 1.00 0.11 O ATOM 667 CB PRO A 26 -6.172 -2.917 7.160 1.00 0.14 C ATOM 668 CG PRO A 26 -7.628 -3.197 7.341 1.00 0.21 C ATOM 669 CD PRO A 26 -8.261 -1.881 7.717 1.00 0.21 C ATOM 0 HA PRO A 26 -5.265 -0.893 7.126 1.00 0.10 H new ATOM 0 HB2 PRO A 26 -5.731 -3.587 6.422 1.00 0.14 H new ATOM 0 HB3 PRO A 26 -5.624 -3.063 8.091 1.00 0.14 H new ATOM 0 HG2 PRO A 26 -8.066 -3.593 6.425 1.00 0.21 H new ATOM 0 HG3 PRO A 26 -7.788 -3.943 8.119 1.00 0.21 H new ATOM 0 HD2 PRO A 26 -9.280 -1.804 7.338 1.00 0.21 H new ATOM 0 HD3 PRO A 26 -8.313 -1.756 8.799 1.00 0.21 H new ATOM 677 N VAL A 27 -4.703 -0.903 4.783 1.00 0.07 N ATOM 678 CA VAL A 27 -4.392 -0.784 3.355 1.00 0.08 C ATOM 679 C VAL A 27 -2.959 -1.190 3.089 1.00 0.10 C ATOM 680 O VAL A 27 -2.084 -1.022 3.939 1.00 0.11 O ATOM 681 CB VAL A 27 -4.631 0.631 2.732 1.00 0.10 C ATOM 682 CG1 VAL A 27 -6.056 0.796 2.238 1.00 0.12 C ATOM 683 CG2 VAL A 27 -4.319 1.773 3.681 1.00 0.12 C ATOM 0 H VAL A 27 -3.960 -0.593 5.409 1.00 0.07 H new ATOM 0 HA VAL A 27 -5.099 -1.457 2.870 1.00 0.08 H new ATOM 0 HB VAL A 27 -3.935 0.683 1.895 1.00 0.10 H new ATOM 0 HG11 VAL A 27 -6.181 1.792 1.813 1.00 0.12 H new ATOM 0 HG12 VAL A 27 -6.266 0.047 1.475 1.00 0.12 H new ATOM 0 HG13 VAL A 27 -6.747 0.668 3.071 1.00 0.12 H new ATOM 0 HG21 VAL A 27 -4.508 2.723 3.181 1.00 0.12 H new ATOM 0 HG22 VAL A 27 -4.953 1.695 4.564 1.00 0.12 H new ATOM 0 HG23 VAL A 27 -3.272 1.722 3.980 1.00 0.12 H new ATOM 693 N CYS A 28 -2.733 -1.729 1.900 1.00 0.12 N ATOM 694 CA CYS A 28 -1.417 -2.156 1.483 1.00 0.15 C ATOM 695 C CYS A 28 -0.541 -0.894 1.290 1.00 0.13 C ATOM 696 O CYS A 28 -1.100 0.207 1.212 1.00 0.15 O ATOM 697 CB CYS A 28 -1.598 -2.968 0.182 1.00 0.19 C ATOM 698 SG CYS A 28 -1.822 -1.972 -1.312 1.00 0.22 S ATOM 0 H CYS A 28 -3.461 -1.880 1.201 1.00 0.12 H new ATOM 0 HA CYS A 28 -0.917 -2.788 2.217 1.00 0.15 H new ATOM 0 HB2 CYS A 28 -0.727 -3.609 0.047 1.00 0.19 H new ATOM 0 HB3 CYS A 28 -2.461 -3.624 0.297 1.00 0.19 H new ATOM 703 N ASN A 29 0.801 -1.027 1.211 1.00 0.13 N ATOM 704 CA ASN A 29 1.690 0.139 1.162 1.00 0.17 C ATOM 705 C ASN A 29 1.237 1.136 0.118 1.00 0.15 C ATOM 706 O ASN A 29 1.043 2.301 0.439 1.00 0.16 O ATOM 707 CB ASN A 29 3.162 -0.313 0.906 1.00 0.27 C ATOM 708 CG ASN A 29 3.948 0.529 -0.095 1.00 0.70 C ATOM 709 OD1 ASN A 29 4.621 -0.029 -0.956 1.00 1.52 O ATOM 710 ND2 ASN A 29 3.923 1.857 0.016 1.00 0.40 N ATOM 0 H ASN A 29 1.283 -1.925 1.180 1.00 0.13 H new ATOM 0 HA ASN A 29 1.646 0.640 2.129 1.00 0.17 H new ATOM 0 HB2 ASN A 29 3.695 -0.306 1.857 1.00 0.27 H new ATOM 0 HB3 ASN A 29 3.150 -1.345 0.555 1.00 0.27 H new ATOM 0 HD21 ASN A 29 4.471 2.433 -0.623 1.00 0.40 H new ATOM 0 HD22 ASN A 29 3.356 2.298 0.740 1.00 0.40 H new ATOM 717 N ALA A 30 1.062 0.680 -1.104 1.00 0.17 N ATOM 718 CA ALA A 30 0.682 1.570 -2.195 1.00 0.18 C ATOM 719 C ALA A 30 -0.530 2.421 -1.847 1.00 0.20 C ATOM 720 O ALA A 30 -0.543 3.603 -2.120 1.00 0.19 O ATOM 721 CB ALA A 30 0.405 0.805 -3.463 1.00 0.21 C ATOM 0 H ALA A 30 1.175 -0.298 -1.373 1.00 0.17 H new ATOM 0 HA ALA A 30 1.534 2.231 -2.355 1.00 0.18 H new ATOM 0 HB1 ALA A 30 0.125 1.501 -4.254 1.00 0.21 H new ATOM 0 HB2 ALA A 30 1.300 0.258 -3.761 1.00 0.21 H new ATOM 0 HB3 ALA A 30 -0.410 0.102 -3.293 1.00 0.21 H new ATOM 727 N CYS A 31 -1.535 1.824 -1.227 1.00 0.26 N ATOM 728 CA CYS A 31 -2.765 2.544 -0.906 1.00 0.30 C ATOM 729 C CYS A 31 -2.582 3.530 0.231 1.00 0.32 C ATOM 730 O CYS A 31 -3.026 4.673 0.132 1.00 0.41 O ATOM 731 CB CYS A 31 -3.883 1.577 -0.606 1.00 0.34 C ATOM 732 SG CYS A 31 -4.389 0.631 -2.039 1.00 0.39 S ATOM 0 H CYS A 31 -1.528 0.847 -0.935 1.00 0.26 H new ATOM 0 HA CYS A 31 -3.032 3.128 -1.787 1.00 0.30 H new ATOM 0 HB2 CYS A 31 -3.564 0.893 0.180 1.00 0.34 H new ATOM 0 HB3 CYS A 31 -4.740 2.129 -0.220 1.00 0.34 H new ATOM 737 N GLY A 32 -1.925 3.112 1.300 1.00 0.28 N ATOM 738 CA GLY A 32 -1.673 4.043 2.384 1.00 0.29 C ATOM 739 C GLY A 32 -0.658 5.084 1.977 1.00 0.30 C ATOM 740 O GLY A 32 -0.665 6.192 2.479 1.00 0.46 O ATOM 0 H GLY A 32 -1.567 2.167 1.439 1.00 0.28 H new ATOM 0 HA2 GLY A 32 -2.604 4.531 2.673 1.00 0.29 H new ATOM 0 HA3 GLY A 32 -1.313 3.500 3.258 1.00 0.29 H new ATOM 744 N LEU A 33 0.216 4.722 1.054 1.00 0.19 N ATOM 745 CA LEU A 33 1.191 5.661 0.525 1.00 0.16 C ATOM 746 C LEU A 33 0.493 6.613 -0.414 1.00 0.14 C ATOM 747 O LEU A 33 0.681 7.824 -0.335 1.00 0.15 O ATOM 748 CB LEU A 33 2.329 4.929 -0.204 1.00 0.16 C ATOM 749 CG LEU A 33 3.510 5.780 -0.640 1.00 0.19 C ATOM 750 CD1 LEU A 33 4.816 5.034 -0.421 1.00 0.48 C ATOM 751 CD2 LEU A 33 3.373 6.110 -2.103 1.00 0.54 C ATOM 0 H LEU A 33 0.271 3.785 0.655 1.00 0.19 H new ATOM 0 HA LEU A 33 1.635 6.215 1.352 1.00 0.16 H new ATOM 0 HB2 LEU A 33 2.700 4.139 0.449 1.00 0.16 H new ATOM 0 HB3 LEU A 33 1.913 4.444 -1.087 1.00 0.16 H new ATOM 0 HG LEU A 33 3.520 6.694 -0.046 1.00 0.19 H new ATOM 0 HD11 LEU A 33 5.650 5.659 -0.739 1.00 0.48 H new ATOM 0 HD12 LEU A 33 4.925 4.794 0.637 1.00 0.48 H new ATOM 0 HD13 LEU A 33 4.811 4.113 -1.003 1.00 0.48 H new ATOM 0 HD21 LEU A 33 4.219 6.721 -2.419 1.00 0.54 H new ATOM 0 HD22 LEU A 33 3.354 5.188 -2.684 1.00 0.54 H new ATOM 0 HD23 LEU A 33 2.447 6.661 -2.267 1.00 0.54 H new ATOM 763 N TYR A 34 -0.352 6.068 -1.277 1.00 0.14 N ATOM 764 CA TYR A 34 -0.961 6.855 -2.305 1.00 0.16 C ATOM 765 C TYR A 34 -2.005 7.800 -1.735 1.00 0.13 C ATOM 766 O TYR A 34 -2.084 8.962 -2.141 1.00 0.15 O ATOM 767 CB TYR A 34 -1.562 5.934 -3.364 1.00 0.24 C ATOM 768 CG TYR A 34 -2.264 6.608 -4.501 1.00 0.25 C ATOM 769 CD1 TYR A 34 -3.575 7.022 -4.377 1.00 0.26 C ATOM 770 CD2 TYR A 34 -1.586 6.889 -5.672 1.00 0.30 C ATOM 771 CE1 TYR A 34 -4.202 7.706 -5.393 1.00 0.32 C ATOM 772 CE2 TYR A 34 -2.206 7.563 -6.700 1.00 0.35 C ATOM 773 CZ TYR A 34 -3.605 7.728 -6.646 1.00 0.36 C ATOM 774 OH TYR A 34 -4.131 8.668 -7.570 1.00 0.44 O ATOM 0 H TYR A 34 -0.622 5.085 -1.275 1.00 0.14 H new ATOM 0 HA TYR A 34 -0.196 7.475 -2.772 1.00 0.16 H new ATOM 0 HB2 TYR A 34 -0.764 5.314 -3.773 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -2.268 5.263 -2.874 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -4.117 6.806 -3.468 1.00 0.26 H new ATOM 0 HD2 TYR A 34 -0.558 6.576 -5.782 1.00 0.30 H new ATOM 0 HE1 TYR A 34 -5.139 8.215 -5.219 1.00 0.32 H new ATOM 0 HE2 TYR A 34 -1.634 7.956 -7.528 1.00 0.35 H new ATOM 0 HH TYR A 34 -3.642 8.603 -8.417 1.00 0.44 H new ATOM 784 N TYR A 35 -2.807 7.309 -0.801 1.00 0.14 N ATOM 785 CA TYR A 35 -3.787 8.154 -0.139 1.00 0.17 C ATOM 786 C TYR A 35 -3.098 9.282 0.614 1.00 0.16 C ATOM 787 O TYR A 35 -3.663 10.354 0.796 1.00 0.20 O ATOM 788 CB TYR A 35 -4.655 7.337 0.820 1.00 0.24 C ATOM 789 CG TYR A 35 -5.820 8.100 1.387 1.00 0.30 C ATOM 790 CD1 TYR A 35 -7.093 7.923 0.887 1.00 0.35 C ATOM 791 CD2 TYR A 35 -5.644 9.000 2.417 1.00 0.50 C ATOM 792 CE1 TYR A 35 -8.158 8.617 1.395 1.00 0.42 C ATOM 793 CE2 TYR A 35 -6.697 9.700 2.941 1.00 0.57 C ATOM 794 CZ TYR A 35 -7.967 9.495 2.435 1.00 0.45 C ATOM 795 OH TYR A 35 -9.019 10.218 2.948 1.00 0.57 O ATOM 0 H TYR A 35 -2.798 6.338 -0.487 1.00 0.14 H new ATOM 0 HA TYR A 35 -4.431 8.584 -0.906 1.00 0.17 H new ATOM 0 HB2 TYR A 35 -5.030 6.458 0.296 1.00 0.24 H new ATOM 0 HB3 TYR A 35 -4.034 6.978 1.641 1.00 0.24 H new ATOM 0 HD1 TYR A 35 -7.253 7.224 0.080 1.00 0.35 H new ATOM 0 HD2 TYR A 35 -4.654 9.156 2.819 1.00 0.50 H new ATOM 0 HE1 TYR A 35 -9.145 8.475 0.980 1.00 0.42 H new ATOM 0 HE2 TYR A 35 -6.537 10.406 3.742 1.00 0.57 H new ATOM 0 HH TYR A 35 -8.699 10.787 3.679 1.00 0.57 H new ATOM 805 N LYS A 36 -1.866 9.061 1.026 1.00 0.15 N ATOM 806 CA LYS A 36 -1.153 10.071 1.772 1.00 0.21 C ATOM 807 C LYS A 36 -0.765 11.206 0.861 1.00 0.22 C ATOM 808 O LYS A 36 -0.735 12.372 1.255 1.00 0.32 O ATOM 809 CB LYS A 36 0.084 9.479 2.409 1.00 0.28 C ATOM 810 CG LYS A 36 -0.131 9.031 3.845 1.00 0.38 C ATOM 811 CD LYS A 36 -1.478 8.354 4.086 1.00 0.50 C ATOM 812 CE LYS A 36 -1.687 8.034 5.559 1.00 0.84 C ATOM 813 NZ LYS A 36 -3.024 7.434 5.822 1.00 1.23 N ATOM 0 H LYS A 36 -1.345 8.200 0.858 1.00 0.15 H new ATOM 0 HA LYS A 36 -1.806 10.450 2.558 1.00 0.21 H new ATOM 0 HB2 LYS A 36 0.416 8.627 1.816 1.00 0.28 H new ATOM 0 HB3 LYS A 36 0.886 10.217 2.383 1.00 0.28 H new ATOM 0 HG2 LYS A 36 0.666 8.342 4.124 1.00 0.38 H new ATOM 0 HG3 LYS A 36 -0.048 9.897 4.502 1.00 0.38 H new ATOM 0 HD2 LYS A 36 -2.280 9.004 3.737 1.00 0.50 H new ATOM 0 HD3 LYS A 36 -1.534 7.436 3.502 1.00 0.50 H new ATOM 0 HE2 LYS A 36 -0.910 7.346 5.893 1.00 0.84 H new ATOM 0 HE3 LYS A 36 -1.579 8.946 6.146 1.00 0.84 H new ATOM 0 HZ1 LYS A 36 -3.396 7.797 6.723 1.00 1.23 H new ATOM 0 HZ2 LYS A 36 -3.675 7.686 5.051 1.00 1.23 H new ATOM 0 HZ3 LYS A 36 -2.936 6.399 5.876 1.00 1.23 H new ATOM 827 N LEU A 37 -0.467 10.843 -0.366 1.00 0.20 N ATOM 828 CA LEU A 37 -0.081 11.808 -1.363 1.00 0.24 C ATOM 829 C LEU A 37 -1.313 12.510 -1.923 1.00 0.25 C ATOM 830 O LEU A 37 -1.318 13.719 -2.134 1.00 0.31 O ATOM 831 CB LEU A 37 0.652 11.123 -2.524 1.00 0.29 C ATOM 832 CG LEU A 37 1.548 9.955 -2.133 1.00 0.49 C ATOM 833 CD1 LEU A 37 1.939 9.143 -3.356 1.00 1.19 C ATOM 834 CD2 LEU A 37 2.796 10.433 -1.419 1.00 0.67 C ATOM 0 H LEU A 37 -0.486 9.878 -0.696 1.00 0.20 H new ATOM 0 HA LEU A 37 0.580 12.532 -0.886 1.00 0.24 H new ATOM 0 HB2 LEU A 37 -0.089 10.767 -3.239 1.00 0.29 H new ATOM 0 HB3 LEU A 37 1.259 11.868 -3.038 1.00 0.29 H new ATOM 0 HG LEU A 37 0.979 9.323 -1.451 1.00 0.49 H new ATOM 0 HD11 LEU A 37 2.579 8.314 -3.053 1.00 1.19 H new ATOM 0 HD12 LEU A 37 1.041 8.752 -3.835 1.00 1.19 H new ATOM 0 HD13 LEU A 37 2.478 9.779 -4.058 1.00 1.19 H new ATOM 0 HD21 LEU A 37 3.414 9.575 -1.153 1.00 0.67 H new ATOM 0 HD22 LEU A 37 3.359 11.097 -2.075 1.00 0.67 H new ATOM 0 HD23 LEU A 37 2.514 10.971 -0.514 1.00 0.67 H new ATOM 846 N HIS A 38 -2.358 11.726 -2.167 1.00 0.23 N ATOM 847 CA HIS A 38 -3.449 12.159 -3.033 1.00 0.28 C ATOM 848 C HIS A 38 -4.822 12.167 -2.354 1.00 0.30 C ATOM 849 O HIS A 38 -5.815 12.545 -2.972 1.00 0.37 O ATOM 850 CB HIS A 38 -3.461 11.263 -4.271 1.00 0.29 C ATOM 851 CG HIS A 38 -2.252 11.461 -5.140 1.00 0.35 C ATOM 852 ND1 HIS A 38 -1.838 10.552 -6.088 1.00 1.00 N ATOM 853 CD2 HIS A 38 -1.337 12.461 -5.165 1.00 1.02 C ATOM 854 CE1 HIS A 38 -0.722 10.982 -6.648 1.00 0.77 C ATOM 855 NE2 HIS A 38 -0.402 12.138 -6.109 1.00 0.69 N ATOM 0 H HIS A 38 -2.473 10.790 -1.778 1.00 0.23 H new ATOM 0 HA HIS A 38 -3.264 13.199 -3.302 1.00 0.28 H new ATOM 0 HB2 HIS A 38 -3.513 10.220 -3.959 1.00 0.29 H new ATOM 0 HB3 HIS A 38 -4.360 11.467 -4.853 1.00 0.29 H new ATOM 0 HD1 HIS A 38 -2.318 9.683 -6.321 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -1.345 13.350 -4.552 1.00 1.02 H new ATOM 0 HE1 HIS A 38 -0.166 10.470 -7.419 1.00 0.77 H new ATOM 864 N ASN A 39 -4.869 11.751 -1.090 1.00 0.26 N ATOM 865 CA ASN A 39 -6.118 11.748 -0.297 1.00 0.30 C ATOM 866 C ASN A 39 -7.180 10.851 -0.912 1.00 0.32 C ATOM 867 O ASN A 39 -8.375 11.101 -0.762 1.00 0.40 O ATOM 868 CB ASN A 39 -6.674 13.155 -0.205 1.00 0.39 C ATOM 869 CG ASN A 39 -7.428 13.468 1.096 1.00 1.01 C ATOM 870 OD1 ASN A 39 -7.019 12.913 2.244 1.00 1.57 O flip ATOM 871 ND2 ASN A 39 -8.387 14.237 1.073 1.00 1.87 N flip ATOM 0 H ASN A 39 -4.055 11.407 -0.581 1.00 0.26 H new ATOM 0 HA ASN A 39 -5.869 11.365 0.693 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -5.852 13.863 -0.311 1.00 0.39 H new ATOM 0 HB3 ASN A 39 -7.347 13.320 -1.047 1.00 0.39 H new ATOM 0 HD21 ASN A 39 -8.687 14.652 0.191 1.00 1.87 H new ATOM 0 HD22 ASN A 39 -8.883 14.460 1.936 1.00 1.87 H new ATOM 878 N VAL A 40 -6.748 9.801 -1.582 1.00 0.30 N ATOM 879 CA VAL A 40 -7.667 8.887 -2.249 1.00 0.38 C ATOM 880 C VAL A 40 -7.077 7.494 -2.318 1.00 0.37 C ATOM 881 O VAL A 40 -5.870 7.317 -2.155 1.00 0.30 O ATOM 882 CB VAL A 40 -8.057 9.337 -3.679 1.00 0.45 C ATOM 883 CG1 VAL A 40 -9.199 10.327 -3.635 1.00 0.59 C ATOM 884 CG2 VAL A 40 -6.886 9.958 -4.420 1.00 0.42 C ATOM 0 H VAL A 40 -5.763 9.555 -1.682 1.00 0.30 H new ATOM 0 HA VAL A 40 -8.575 8.890 -1.645 1.00 0.38 H new ATOM 0 HB VAL A 40 -8.367 8.441 -4.217 1.00 0.45 H new ATOM 0 HG11 VAL A 40 -9.457 10.630 -4.650 1.00 0.59 H new ATOM 0 HG12 VAL A 40 -10.065 9.863 -3.164 1.00 0.59 H new ATOM 0 HG13 VAL A 40 -8.899 11.203 -3.060 1.00 0.59 H new ATOM 0 HG21 VAL A 40 -7.205 10.259 -5.418 1.00 0.42 H new ATOM 0 HG22 VAL A 40 -6.532 10.832 -3.873 1.00 0.42 H new ATOM 0 HG23 VAL A 40 -6.079 9.230 -4.501 1.00 0.42 H new ATOM 894 N ASN A 41 -7.932 6.509 -2.559 1.00 0.50 N ATOM 895 CA ASN A 41 -7.495 5.125 -2.624 1.00 0.55 C ATOM 896 C ASN A 41 -6.636 4.914 -3.851 1.00 0.44 C ATOM 897 O ASN A 41 -6.666 5.720 -4.781 1.00 0.43 O ATOM 898 CB ASN A 41 -8.680 4.160 -2.650 1.00 0.78 C ATOM 899 CG ASN A 41 -9.233 3.867 -1.270 1.00 1.16 C ATOM 900 OD1 ASN A 41 -8.783 2.946 -0.587 1.00 1.73 O ATOM 901 ND2 ASN A 41 -10.228 4.629 -0.862 1.00 1.16 N ATOM 0 H ASN A 41 -8.931 6.645 -2.712 1.00 0.50 H new ATOM 0 HA ASN A 41 -6.913 4.917 -1.726 1.00 0.55 H new ATOM 0 HB2 ASN A 41 -9.471 4.581 -3.271 1.00 0.78 H new ATOM 0 HB3 ASN A 41 -8.371 3.225 -3.118 1.00 0.78 H new ATOM 0 HD21 ASN A 41 -10.654 4.466 0.050 1.00 1.16 H new ATOM 0 HD22 ASN A 41 -10.571 5.382 -1.458 1.00 1.16 H new ATOM 908 N ARG A 42 -5.889 3.826 -3.859 1.00 0.46 N ATOM 909 CA ARG A 42 -4.946 3.571 -4.927 1.00 0.39 C ATOM 910 C ARG A 42 -5.605 2.776 -6.036 1.00 0.45 C ATOM 911 O ARG A 42 -5.940 1.607 -5.839 1.00 0.51 O ATOM 912 CB ARG A 42 -3.728 2.807 -4.400 1.00 0.48 C ATOM 913 CG ARG A 42 -2.760 2.359 -5.488 1.00 1.13 C ATOM 914 CD ARG A 42 -2.079 3.529 -6.177 1.00 1.57 C ATOM 915 NE ARG A 42 -1.531 3.150 -7.481 1.00 2.08 N ATOM 916 CZ ARG A 42 -0.351 3.562 -7.956 1.00 2.71 C ATOM 917 NH1 ARG A 42 0.465 4.288 -7.199 1.00 3.32 N ATOM 918 NH2 ARG A 42 0.020 3.221 -9.185 1.00 3.14 N ATOM 0 H ARG A 42 -5.918 3.106 -3.137 1.00 0.46 H new ATOM 0 HA ARG A 42 -4.616 4.531 -5.324 1.00 0.39 H new ATOM 0 HB2 ARG A 42 -3.194 3.439 -3.691 1.00 0.48 H new ATOM 0 HB3 ARG A 42 -4.071 1.931 -3.850 1.00 0.48 H new ATOM 0 HG2 ARG A 42 -2.003 1.708 -5.051 1.00 1.13 H new ATOM 0 HG3 ARG A 42 -3.299 1.769 -6.229 1.00 1.13 H new ATOM 0 HD2 ARG A 42 -2.795 4.341 -6.306 1.00 1.57 H new ATOM 0 HD3 ARG A 42 -1.278 3.908 -5.543 1.00 1.57 H new ATOM 0 HE ARG A 42 -2.088 2.529 -8.068 1.00 2.08 H new ATOM 0 HH11 ARG A 42 0.193 4.535 -6.248 1.00 3.32 H new ATOM 0 HH12 ARG A 42 1.363 4.598 -7.569 1.00 3.32 H new ATOM 0 HH21 ARG A 42 -0.594 2.647 -9.762 1.00 3.14 H new ATOM 0 HH22 ARG A 42 0.919 3.533 -9.551 1.00 3.14 H new ATOM 932 N PRO A 43 -5.831 3.394 -7.208 1.00 0.53 N ATOM 933 CA PRO A 43 -6.256 2.656 -8.389 1.00 0.67 C ATOM 934 C PRO A 43 -5.249 1.567 -8.684 1.00 0.66 C ATOM 935 O PRO A 43 -4.082 1.845 -8.966 1.00 0.68 O ATOM 936 CB PRO A 43 -6.264 3.717 -9.489 1.00 0.80 C ATOM 937 CG PRO A 43 -6.488 4.985 -8.753 1.00 0.73 C ATOM 938 CD PRO A 43 -5.722 4.839 -7.474 1.00 0.55 C ATOM 0 HA PRO A 43 -7.224 2.167 -8.284 1.00 0.67 H new ATOM 0 HB2 PRO A 43 -5.322 3.733 -10.037 1.00 0.80 H new ATOM 0 HB3 PRO A 43 -7.053 3.532 -10.218 1.00 0.80 H new ATOM 0 HG2 PRO A 43 -6.135 5.841 -9.328 1.00 0.73 H new ATOM 0 HG3 PRO A 43 -7.549 5.146 -8.560 1.00 0.73 H new ATOM 0 HD2 PRO A 43 -4.685 5.156 -7.582 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -6.155 5.435 -6.670 1.00 0.55 H new ATOM 946 N LEU A 44 -5.700 0.338 -8.607 1.00 0.72 N ATOM 947 CA LEU A 44 -4.797 -0.794 -8.619 1.00 0.73 C ATOM 948 C LEU A 44 -5.496 -2.027 -9.166 1.00 1.12 C ATOM 949 O LEU A 44 -5.428 -2.283 -10.364 1.00 1.52 O ATOM 950 CB LEU A 44 -4.262 -1.030 -7.192 1.00 0.81 C ATOM 951 CG LEU A 44 -2.752 -1.254 -7.051 1.00 0.88 C ATOM 952 CD1 LEU A 44 -1.960 -0.259 -7.887 1.00 1.80 C ATOM 953 CD2 LEU A 44 -2.357 -1.141 -5.584 1.00 0.84 C ATOM 0 H LEU A 44 -6.688 0.093 -8.535 1.00 0.72 H new ATOM 0 HA LEU A 44 -3.953 -0.584 -9.276 1.00 0.73 H new ATOM 0 HB2 LEU A 44 -4.537 -0.172 -6.579 1.00 0.81 H new ATOM 0 HB3 LEU A 44 -4.775 -1.897 -6.775 1.00 0.81 H new ATOM 0 HG LEU A 44 -2.517 -2.253 -7.419 1.00 0.88 H new ATOM 0 HD11 LEU A 44 -0.894 -0.447 -7.763 1.00 1.80 H new ATOM 0 HD12 LEU A 44 -2.228 -0.371 -8.937 1.00 1.80 H new ATOM 0 HD13 LEU A 44 -2.190 0.755 -7.560 1.00 1.80 H new ATOM 0 HD21 LEU A 44 -1.283 -1.300 -5.483 1.00 0.84 H new ATOM 0 HD22 LEU A 44 -2.613 -0.148 -5.214 1.00 0.84 H new ATOM 0 HD23 LEU A 44 -2.891 -1.894 -5.004 1.00 0.84 H new ATOM 965 N THR A 45 -6.197 -2.739 -8.288 1.00 1.43 N ATOM 966 CA THR A 45 -6.906 -3.976 -8.633 1.00 1.89 C ATOM 967 C THR A 45 -6.119 -4.847 -9.616 1.00 2.49 C ATOM 968 O THR A 45 -5.157 -5.522 -9.239 1.00 3.12 O ATOM 969 CB THR A 45 -8.324 -3.680 -9.181 1.00 2.47 C ATOM 970 OG1 THR A 45 -8.472 -2.276 -9.422 1.00 2.85 O ATOM 971 CG2 THR A 45 -9.412 -4.145 -8.217 1.00 3.21 C ATOM 0 H THR A 45 -6.292 -2.475 -7.307 1.00 1.43 H new ATOM 0 HA THR A 45 -7.006 -4.543 -7.707 1.00 1.89 H new ATOM 0 HB THR A 45 -8.437 -4.233 -10.114 1.00 2.47 H new ATOM 0 HG1 THR A 45 -8.357 -2.094 -10.378 1.00 2.85 H new ATOM 0 HG21 THR A 45 -10.392 -3.919 -8.638 1.00 3.21 H new ATOM 0 HG22 THR A 45 -9.324 -5.220 -8.060 1.00 3.21 H new ATOM 0 HG23 THR A 45 -9.299 -3.628 -7.264 1.00 3.21 H new ATOM 979 N MET A 46 -6.502 -4.788 -10.874 1.00 3.01 N ATOM 980 CA MET A 46 -5.845 -5.559 -11.926 1.00 4.06 C ATOM 981 C MET A 46 -5.202 -4.596 -12.918 1.00 4.82 C ATOM 982 O MET A 46 -5.497 -3.403 -12.878 1.00 5.29 O ATOM 983 CB MET A 46 -6.853 -6.483 -12.630 1.00 4.43 C ATOM 984 CG MET A 46 -6.215 -7.549 -13.510 1.00 5.26 C ATOM 985 SD MET A 46 -5.019 -8.569 -12.623 1.00 5.98 S ATOM 986 CE MET A 46 -6.045 -9.250 -11.319 1.00 6.47 C ATOM 0 H MET A 46 -7.274 -4.208 -11.203 1.00 3.01 H new ATOM 0 HA MET A 46 -5.072 -6.191 -11.487 1.00 4.06 H new ATOM 0 HB2 MET A 46 -7.469 -6.972 -11.875 1.00 4.43 H new ATOM 0 HB3 MET A 46 -7.520 -5.875 -13.241 1.00 4.43 H new ATOM 0 HG2 MET A 46 -6.996 -8.189 -13.921 1.00 5.26 H new ATOM 0 HG3 MET A 46 -5.720 -7.068 -14.354 1.00 5.26 H new ATOM 0 HE1 MET A 46 -5.525 -10.081 -10.843 1.00 6.47 H new ATOM 0 HE2 MET A 46 -6.251 -8.478 -10.577 1.00 6.47 H new ATOM 0 HE3 MET A 46 -6.984 -9.605 -11.743 1.00 6.47 H new ATOM 996 N LYS A 47 -4.325 -5.106 -13.788 1.00 5.35 N ATOM 997 CA LYS A 47 -3.585 -4.264 -14.735 1.00 6.39 C ATOM 998 C LYS A 47 -4.508 -3.266 -15.435 1.00 6.45 C ATOM 999 O LYS A 47 -4.163 -2.093 -15.598 1.00 7.14 O ATOM 1000 CB LYS A 47 -2.862 -5.130 -15.769 1.00 7.52 C ATOM 1001 CG LYS A 47 -1.904 -4.349 -16.654 1.00 8.31 C ATOM 1002 CD LYS A 47 -1.188 -5.256 -17.637 1.00 9.24 C ATOM 1003 CE LYS A 47 -0.141 -4.496 -18.432 1.00 10.03 C ATOM 1004 NZ LYS A 47 0.556 -5.366 -19.414 1.00 10.60 N ATOM 0 H LYS A 47 -4.109 -6.101 -13.857 1.00 5.35 H new ATOM 0 HA LYS A 47 -2.846 -3.698 -14.168 1.00 6.39 H new ATOM 0 HB2 LYS A 47 -2.308 -5.913 -15.251 1.00 7.52 H new ATOM 0 HB3 LYS A 47 -3.602 -5.625 -16.397 1.00 7.52 H new ATOM 0 HG2 LYS A 47 -2.454 -3.582 -17.200 1.00 8.31 H new ATOM 0 HG3 LYS A 47 -1.171 -3.834 -16.033 1.00 8.31 H new ATOM 0 HD2 LYS A 47 -0.713 -6.076 -17.098 1.00 9.24 H new ATOM 0 HD3 LYS A 47 -1.913 -5.700 -18.319 1.00 9.24 H new ATOM 0 HE2 LYS A 47 -0.616 -3.667 -18.956 1.00 10.03 H new ATOM 0 HE3 LYS A 47 0.590 -4.064 -17.748 1.00 10.03 H new ATOM 0 HZ1 LYS A 47 1.262 -4.806 -19.934 1.00 10.60 H new ATOM 0 HZ2 LYS A 47 1.032 -6.143 -18.913 1.00 10.60 H new ATOM 0 HZ3 LYS A 47 -0.137 -5.758 -20.083 1.00 10.60 H new ATOM 1018 N LYS A 48 -5.682 -3.728 -15.838 1.00 6.06 N ATOM 1019 CA LYS A 48 -6.694 -2.835 -16.372 1.00 6.40 C ATOM 1020 C LYS A 48 -8.053 -3.138 -15.748 1.00 6.04 C ATOM 1021 O LYS A 48 -8.914 -3.769 -16.366 1.00 6.58 O ATOM 1022 CB LYS A 48 -6.766 -2.934 -17.899 1.00 7.59 C ATOM 1023 CG LYS A 48 -7.653 -1.870 -18.533 1.00 8.29 C ATOM 1024 CD LYS A 48 -7.137 -0.467 -18.243 1.00 9.18 C ATOM 1025 CE LYS A 48 -8.077 0.602 -18.775 1.00 9.92 C ATOM 1026 NZ LYS A 48 -9.382 0.609 -18.061 1.00 10.22 N ATOM 0 H LYS A 48 -5.955 -4.710 -15.805 1.00 6.06 H new ATOM 0 HA LYS A 48 -6.414 -1.813 -16.116 1.00 6.40 H new ATOM 0 HB2 LYS A 48 -5.760 -2.849 -18.309 1.00 7.59 H new ATOM 0 HB3 LYS A 48 -7.140 -3.920 -18.175 1.00 7.59 H new ATOM 0 HG2 LYS A 48 -7.697 -2.027 -19.611 1.00 8.29 H new ATOM 0 HG3 LYS A 48 -8.670 -1.970 -18.154 1.00 8.29 H new ATOM 0 HD2 LYS A 48 -7.014 -0.340 -17.167 1.00 9.18 H new ATOM 0 HD3 LYS A 48 -6.152 -0.342 -18.693 1.00 9.18 H new ATOM 0 HE2 LYS A 48 -7.606 1.580 -18.676 1.00 9.92 H new ATOM 0 HE3 LYS A 48 -8.248 0.437 -19.839 1.00 9.92 H new ATOM 0 HZ1 LYS A 48 -9.909 1.470 -18.310 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -9.934 -0.227 -18.339 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -9.216 0.589 -17.034 1.00 10.22 H new ATOM 1040 N GLU A 49 -8.226 -2.708 -14.508 1.00 5.38 N ATOM 1041 CA GLU A 49 -9.493 -2.848 -13.815 1.00 5.42 C ATOM 1042 C GLU A 49 -9.672 -1.679 -12.860 1.00 5.55 C ATOM 1043 O GLU A 49 -10.478 -0.778 -13.162 1.00 5.89 O ATOM 1044 CB GLU A 49 -9.555 -4.180 -13.057 1.00 5.41 C ATOM 1045 CG GLU A 49 -10.892 -4.439 -12.380 1.00 5.86 C ATOM 1046 CD GLU A 49 -10.967 -5.810 -11.737 1.00 6.53 C ATOM 1047 OE1 GLU A 49 -10.744 -5.909 -10.512 1.00 7.00 O ATOM 1048 OE2 GLU A 49 -11.236 -6.799 -12.449 1.00 6.85 O ATOM 1049 OXT GLU A 49 -8.972 -1.643 -11.830 1.00 5.74 O ATOM 0 H GLU A 49 -7.496 -2.255 -13.958 1.00 5.38 H new ATOM 0 HA GLU A 49 -10.302 -2.845 -14.545 1.00 5.42 H new ATOM 0 HB2 GLU A 49 -9.347 -4.993 -13.752 1.00 5.41 H new ATOM 0 HB3 GLU A 49 -8.768 -4.196 -12.303 1.00 5.41 H new ATOM 0 HG2 GLU A 49 -11.064 -3.676 -11.621 1.00 5.86 H new ATOM 0 HG3 GLU A 49 -11.691 -4.343 -13.115 1.00 5.86 H new TER 1056 GLU A 49 HETATM 1057 ZN ZN A 101 -4.057 -1.604 -1.691 1.00 0.29 ZN