USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 452 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 73 CYS SG : rot 97:sc= -0.884 USER MOD Set 1.2: A 80 SER OG : rot -153:sc= -0.857! USER MOD Set 2.1: A 55 HIS :FLIP no HD1:sc= -5.33! C(o=-6.3!,f=-5.5!) USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 0.122 (180deg=0.119) USER MOD Single : A 47 TYR OH : rot -23:sc= 0.0119 USER MOD Single : A 48 SER OG : rot 180:sc= -0.303 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 75:sc= 0.763 USER MOD Single : A 57 SER OG : rot 71:sc= -0.138 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.582) USER MOD Single : A 76 TYR OH : rot 180:sc= -4.64! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0892 K(o=-0.089,f=-1.7) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -2.67 K(o=-2.7,f=-3.6!) USER MOD Single : A 96 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 44 -7.476 11.706 9.042 1.00 0.00 N ATOM 2 CA LYS A 44 -6.414 10.912 8.370 1.00 0.00 C ATOM 3 C LYS A 44 -6.565 9.424 8.670 1.00 0.00 C ATOM 4 O LYS A 44 -6.503 9.004 9.825 1.00 0.00 O ATOM 5 CB LYS A 44 -5.052 11.413 8.854 1.00 0.00 C ATOM 6 CG LYS A 44 -4.875 12.918 8.725 1.00 0.00 C ATOM 7 CD LYS A 44 -5.047 13.621 10.065 1.00 0.00 C ATOM 8 CE LYS A 44 -6.170 14.648 10.023 1.00 0.00 C ATOM 9 NZ LYS A 44 -7.274 14.301 10.960 1.00 0.00 N ATOM 0 HA LYS A 44 -6.500 11.039 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.920 11.128 9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.268 10.913 8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.885 13.135 8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.600 13.310 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.258 12.883 10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.114 14.113 10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.773 15.631 10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.563 14.716 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.987 15.058 10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.715 13.407 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.893 14.195 11.922 1.00 0.00 H new ATOM 23 N VAL A 45 -6.762 8.631 7.621 1.00 0.00 N ATOM 24 CA VAL A 45 -6.920 7.189 7.773 1.00 0.00 C ATOM 25 C VAL A 45 -5.587 6.524 8.096 1.00 0.00 C ATOM 26 O VAL A 45 -5.524 5.593 8.899 1.00 0.00 O ATOM 27 CB VAL A 45 -7.504 6.550 6.499 1.00 0.00 C ATOM 28 CG1 VAL A 45 -7.871 5.096 6.750 1.00 0.00 C ATOM 29 CG2 VAL A 45 -8.713 7.336 6.013 1.00 0.00 C ATOM 0 H VAL A 45 -6.816 8.962 6.658 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.613 7.031 8.599 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.743 6.579 5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.282 4.662 5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.980 4.542 7.046 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.614 5.040 7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.112 6.870 5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.479 7.342 6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.415 8.360 5.790 1.00 0.00 H new ATOM 39 N GLU A 46 -4.525 7.011 7.464 1.00 0.00 N ATOM 40 CA GLU A 46 -3.184 6.472 7.679 1.00 0.00 C ATOM 41 C GLU A 46 -3.059 5.051 7.131 1.00 0.00 C ATOM 42 O GLU A 46 -2.100 4.343 7.439 1.00 0.00 O ATOM 43 CB GLU A 46 -2.831 6.492 9.170 1.00 0.00 C ATOM 44 CG GLU A 46 -1.856 7.595 9.549 1.00 0.00 C ATOM 45 CD GLU A 46 -2.162 8.203 10.904 1.00 0.00 C ATOM 46 OE1 GLU A 46 -2.708 7.484 11.767 1.00 0.00 O ATOM 47 OE2 GLU A 46 -1.854 9.397 11.101 1.00 0.00 O ATOM 0 H GLU A 46 -4.566 7.781 6.796 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.482 7.107 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.746 6.612 9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.402 5.529 9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.843 7.193 9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.884 8.376 8.790 1.00 0.00 H new ATOM 54 N TYR A 47 -4.028 4.636 6.316 1.00 0.00 N ATOM 55 CA TYR A 47 -4.012 3.298 5.731 1.00 0.00 C ATOM 56 C TYR A 47 -3.846 2.232 6.808 1.00 0.00 C ATOM 57 O TYR A 47 -2.740 1.757 7.066 1.00 0.00 O ATOM 58 CB TYR A 47 -2.887 3.188 4.703 1.00 0.00 C ATOM 59 CG TYR A 47 -2.842 4.350 3.738 1.00 0.00 C ATOM 60 CD1 TYR A 47 -3.775 4.464 2.715 1.00 0.00 C ATOM 61 CD2 TYR A 47 -1.869 5.334 3.852 1.00 0.00 C ATOM 62 CE1 TYR A 47 -3.739 5.527 1.832 1.00 0.00 C ATOM 63 CE2 TYR A 47 -1.827 6.401 2.974 1.00 0.00 C ATOM 64 CZ TYR A 47 -2.763 6.492 1.966 1.00 0.00 C ATOM 65 OH TYR A 47 -2.724 7.552 1.090 1.00 0.00 O ATOM 0 H TYR A 47 -4.831 5.205 6.047 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.968 3.132 5.234 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.933 3.121 5.225 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.008 2.262 4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.541 3.710 2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.133 5.265 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.471 5.601 1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.065 7.159 3.077 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.171 7.302 0.254 1.00 0.00 H new ATOM 75 N SER A 48 -4.959 1.862 7.430 1.00 0.00 N ATOM 76 CA SER A 48 -4.952 0.852 8.481 1.00 0.00 C ATOM 77 C SER A 48 -4.761 -0.536 7.890 1.00 0.00 C ATOM 78 O SER A 48 -3.878 -1.287 8.304 1.00 0.00 O ATOM 79 CB SER A 48 -6.255 0.906 9.279 1.00 0.00 C ATOM 80 OG SER A 48 -7.370 0.609 8.456 1.00 0.00 O ATOM 0 H SER A 48 -5.880 2.248 7.224 1.00 0.00 H new ATOM 0 HA SER A 48 -4.118 1.062 9.151 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.209 0.196 10.105 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.376 1.897 9.717 1.00 0.00 H new ATOM 0 HG SER A 48 -8.191 0.648 8.990 1.00 0.00 H new ATOM 86 N GLU A 49 -5.603 -0.863 6.917 1.00 0.00 N ATOM 87 CA GLU A 49 -5.557 -2.158 6.245 1.00 0.00 C ATOM 88 C GLU A 49 -6.847 -2.399 5.470 1.00 0.00 C ATOM 89 O GLU A 49 -6.832 -2.982 4.390 1.00 0.00 O ATOM 90 CB GLU A 49 -5.344 -3.291 7.258 1.00 0.00 C ATOM 91 CG GLU A 49 -3.957 -3.910 7.202 1.00 0.00 C ATOM 92 CD GLU A 49 -3.653 -4.770 8.413 1.00 0.00 C ATOM 93 OE1 GLU A 49 -4.469 -5.661 8.728 1.00 0.00 O ATOM 94 OE2 GLU A 49 -2.598 -4.553 9.046 1.00 0.00 O ATOM 0 H GLU A 49 -6.334 -0.241 6.572 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.717 -2.148 5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.520 -2.906 8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.087 -4.069 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.870 -4.515 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.212 -3.118 7.128 1.00 0.00 H new ATOM 101 N GLU A 50 -7.962 -1.947 6.033 1.00 0.00 N ATOM 102 CA GLU A 50 -9.265 -2.113 5.396 1.00 0.00 C ATOM 103 C GLU A 50 -9.276 -1.513 3.998 1.00 0.00 C ATOM 104 O GLU A 50 -9.501 -2.219 3.015 1.00 0.00 O ATOM 105 CB GLU A 50 -10.366 -1.480 6.251 1.00 0.00 C ATOM 106 CG GLU A 50 -9.981 -0.136 6.856 1.00 0.00 C ATOM 107 CD GLU A 50 -10.870 0.996 6.378 1.00 0.00 C ATOM 108 OE1 GLU A 50 -12.108 0.852 6.456 1.00 0.00 O ATOM 109 OE2 GLU A 50 -10.328 2.027 5.927 1.00 0.00 O ATOM 0 H GLU A 50 -7.991 -1.462 6.930 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.458 -3.182 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.258 -1.350 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.629 -2.168 7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.036 -0.202 7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.945 0.089 6.602 1.00 0.00 H new ATOM 116 N GLU A 51 -9.022 -0.212 3.904 1.00 0.00 N ATOM 117 CA GLU A 51 -8.997 0.451 2.611 1.00 0.00 C ATOM 118 C GLU A 51 -7.949 -0.207 1.729 1.00 0.00 C ATOM 119 O GLU A 51 -8.171 -0.433 0.541 1.00 0.00 O ATOM 120 CB GLU A 51 -8.696 1.943 2.773 1.00 0.00 C ATOM 121 CG GLU A 51 -9.549 2.835 1.885 1.00 0.00 C ATOM 122 CD GLU A 51 -10.222 3.954 2.656 1.00 0.00 C ATOM 123 OE1 GLU A 51 -10.636 3.715 3.810 1.00 0.00 O ATOM 124 OE2 GLU A 51 -10.335 5.070 2.106 1.00 0.00 O ATOM 0 H GLU A 51 -8.833 0.397 4.700 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.977 0.355 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.851 2.226 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.644 2.120 2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.925 3.263 1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.310 2.230 1.392 1.00 0.00 H new ATOM 131 N LEU A 52 -6.813 -0.537 2.336 1.00 0.00 N ATOM 132 CA LEU A 52 -5.732 -1.196 1.624 1.00 0.00 C ATOM 133 C LEU A 52 -6.211 -2.524 1.050 1.00 0.00 C ATOM 134 O LEU A 52 -6.057 -2.787 -0.142 1.00 0.00 O ATOM 135 CB LEU A 52 -4.544 -1.419 2.552 1.00 0.00 C ATOM 136 CG LEU A 52 -4.025 -0.150 3.219 1.00 0.00 C ATOM 137 CD1 LEU A 52 -2.926 -0.480 4.217 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.524 0.834 2.169 1.00 0.00 C ATOM 0 H LEU A 52 -6.621 -0.357 3.321 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.415 -0.554 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.830 -2.132 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.733 -1.875 1.983 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.847 0.316 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.569 0.439 4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.320 -1.146 4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.100 -0.970 3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.157 1.735 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.716 0.377 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.341 1.095 1.496 1.00 0.00 H new ATOM 150 N LYS A 53 -6.810 -3.352 1.906 1.00 0.00 N ATOM 151 CA LYS A 53 -7.330 -4.644 1.478 1.00 0.00 C ATOM 152 C LYS A 53 -8.266 -4.458 0.294 1.00 0.00 C ATOM 153 O LYS A 53 -8.149 -5.141 -0.724 1.00 0.00 O ATOM 154 CB LYS A 53 -8.061 -5.338 2.630 1.00 0.00 C ATOM 155 CG LYS A 53 -7.379 -6.613 3.101 1.00 0.00 C ATOM 156 CD LYS A 53 -7.825 -7.818 2.288 1.00 0.00 C ATOM 157 CE LYS A 53 -6.889 -8.084 1.120 1.00 0.00 C ATOM 158 NZ LYS A 53 -7.635 -8.408 -0.127 1.00 0.00 N ATOM 0 H LYS A 53 -6.945 -3.149 2.896 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.495 -5.275 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.140 -4.646 3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.077 -5.574 2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.298 -6.499 3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.605 -6.780 4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.864 -8.697 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.835 -7.652 1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.262 -7.209 0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.223 -8.910 1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.961 -8.583 -0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.214 -9.258 0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.252 -7.610 -0.380 1.00 0.00 H new ATOM 172 N THR A 54 -9.183 -3.505 0.431 1.00 0.00 N ATOM 173 CA THR A 54 -10.131 -3.200 -0.633 1.00 0.00 C ATOM 174 C THR A 54 -9.377 -2.825 -1.900 1.00 0.00 C ATOM 175 O THR A 54 -9.724 -3.257 -2.999 1.00 0.00 O ATOM 176 CB THR A 54 -11.059 -2.061 -0.215 1.00 0.00 C ATOM 177 OG1 THR A 54 -11.561 -2.277 1.092 1.00 0.00 O ATOM 178 CG2 THR A 54 -12.244 -1.886 -1.139 1.00 0.00 C ATOM 0 H THR A 54 -9.289 -2.932 1.268 1.00 0.00 H new ATOM 0 HA THR A 54 -10.739 -4.084 -0.826 1.00 0.00 H new ATOM 0 HB THR A 54 -10.448 -1.159 -0.259 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.855 -2.096 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.862 -1.061 -0.785 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.890 -1.668 -2.147 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.834 -2.802 -1.151 1.00 0.00 H new ATOM 186 N HIS A 55 -8.327 -2.029 -1.726 1.00 0.00 N ATOM 187 CA HIS A 55 -7.496 -1.604 -2.841 1.00 0.00 C ATOM 188 C HIS A 55 -6.885 -2.819 -3.525 1.00 0.00 C ATOM 189 O HIS A 55 -6.946 -2.959 -4.747 1.00 0.00 O ATOM 190 CB HIS A 55 -6.392 -0.664 -2.350 1.00 0.00 C ATOM 191 CG HIS A 55 -6.908 0.529 -1.610 1.00 0.00 C ATOM 192 ND1 HIS A 55 -6.335 1.293 -0.649 1.00 0.00 N flip ATOM 193 CD2 HIS A 55 -8.160 1.065 -1.826 1.00 0.00 C flip ATOM 194 CE1 HIS A 55 -7.242 2.265 -0.308 1.00 0.00 C flip ATOM 195 NE2 HIS A 55 -8.335 2.106 -1.032 1.00 0.00 N flip ATOM 0 H HIS A 55 -8.033 -1.666 -0.820 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.116 -1.068 -3.559 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.715 -1.219 -1.701 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.807 -0.326 -3.205 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.885 0.692 -2.534 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.087 3.035 0.433 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.172 2.688 -0.986 1.00 0.00 H new ATOM 204 N ILE A 56 -6.303 -3.703 -2.719 1.00 0.00 N ATOM 205 CA ILE A 56 -5.687 -4.921 -3.234 1.00 0.00 C ATOM 206 C ILE A 56 -6.692 -5.754 -4.026 1.00 0.00 C ATOM 207 O ILE A 56 -6.400 -6.212 -5.130 1.00 0.00 O ATOM 208 CB ILE A 56 -5.092 -5.780 -2.098 1.00 0.00 C ATOM 209 CG1 ILE A 56 -4.075 -4.968 -1.294 1.00 0.00 C ATOM 210 CG2 ILE A 56 -4.440 -7.036 -2.663 1.00 0.00 C ATOM 211 CD1 ILE A 56 -3.744 -5.575 0.051 1.00 0.00 C ATOM 0 H ILE A 56 -6.245 -3.598 -1.706 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.879 -4.610 -3.897 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.901 -6.081 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.158 -4.872 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.464 -3.961 -1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.026 -7.629 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.186 -7.624 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.641 -6.754 -3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.017 -4.946 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.651 -5.646 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.325 -6.571 -0.093 1.00 0.00 H new ATOM 223 N SER A 57 -7.876 -5.953 -3.449 1.00 0.00 N ATOM 224 CA SER A 57 -8.924 -6.739 -4.095 1.00 0.00 C ATOM 225 C SER A 57 -9.213 -6.235 -5.507 1.00 0.00 C ATOM 226 O SER A 57 -8.846 -6.875 -6.493 1.00 0.00 O ATOM 227 CB SER A 57 -10.205 -6.707 -3.258 1.00 0.00 C ATOM 228 OG SER A 57 -10.206 -5.606 -2.367 1.00 0.00 O ATOM 0 H SER A 57 -8.133 -5.580 -2.535 1.00 0.00 H new ATOM 0 HA SER A 57 -8.567 -7.766 -4.169 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.072 -6.646 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.298 -7.635 -2.694 1.00 0.00 H new ATOM 0 HG SER A 57 -10.321 -4.775 -2.874 1.00 0.00 H new ATOM 234 N LYS A 58 -9.884 -5.091 -5.596 1.00 0.00 N ATOM 235 CA LYS A 58 -10.234 -4.508 -6.887 1.00 0.00 C ATOM 236 C LYS A 58 -8.987 -4.189 -7.707 1.00 0.00 C ATOM 237 O LYS A 58 -8.704 -4.852 -8.705 1.00 0.00 O ATOM 238 CB LYS A 58 -11.070 -3.241 -6.688 1.00 0.00 C ATOM 239 CG LYS A 58 -12.148 -3.383 -5.625 1.00 0.00 C ATOM 240 CD LYS A 58 -13.191 -2.282 -5.737 1.00 0.00 C ATOM 241 CE LYS A 58 -14.502 -2.810 -6.298 1.00 0.00 C ATOM 242 NZ LYS A 58 -14.632 -2.539 -7.756 1.00 0.00 N ATOM 0 H LYS A 58 -10.196 -4.549 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.823 -5.242 -7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.409 -2.419 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.538 -2.973 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.632 -4.355 -5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.691 -3.353 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.365 -1.843 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.814 -1.486 -6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.566 -3.884 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.335 -2.349 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.539 -2.915 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.597 -1.513 -7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.851 -3.000 -8.266 1.00 0.00 H new ATOM 256 N GLY A 59 -8.243 -3.174 -7.281 1.00 0.00 N ATOM 257 CA GLY A 59 -7.036 -2.793 -7.993 1.00 0.00 C ATOM 258 C GLY A 59 -6.799 -1.294 -7.992 1.00 0.00 C ATOM 259 O GLY A 59 -6.307 -0.737 -8.974 1.00 0.00 O ATOM 0 H GLY A 59 -8.453 -2.609 -6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.180 -3.292 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.101 -3.145 -9.023 1.00 0.00 H new ATOM 263 N THR A 60 -7.140 -0.640 -6.886 1.00 0.00 N ATOM 264 CA THR A 60 -6.953 0.801 -6.759 1.00 0.00 C ATOM 265 C THR A 60 -5.690 1.118 -5.963 1.00 0.00 C ATOM 266 O THR A 60 -5.249 2.266 -5.915 1.00 0.00 O ATOM 267 CB THR A 60 -8.170 1.437 -6.084 1.00 0.00 C ATOM 268 OG1 THR A 60 -8.818 0.503 -5.239 1.00 0.00 O ATOM 269 CG2 THR A 60 -9.196 1.956 -7.068 1.00 0.00 C ATOM 0 H THR A 60 -7.548 -1.086 -6.064 1.00 0.00 H new ATOM 0 HA THR A 60 -6.843 1.218 -7.760 1.00 0.00 H new ATOM 0 HB THR A 60 -7.778 2.280 -5.514 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.593 0.928 -4.815 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.033 2.394 -6.524 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.739 2.715 -7.704 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.556 1.134 -7.686 1.00 0.00 H new ATOM 277 N LEU A 61 -5.104 0.094 -5.345 1.00 0.00 N ATOM 278 CA LEU A 61 -3.888 0.275 -4.564 1.00 0.00 C ATOM 279 C LEU A 61 -2.771 0.842 -5.437 1.00 0.00 C ATOM 280 O LEU A 61 -1.816 1.434 -4.934 1.00 0.00 O ATOM 281 CB LEU A 61 -3.449 -1.052 -3.942 1.00 0.00 C ATOM 282 CG LEU A 61 -2.288 -0.947 -2.953 1.00 0.00 C ATOM 283 CD1 LEU A 61 -2.732 -0.234 -1.686 1.00 0.00 C ATOM 284 CD2 LEU A 61 -1.739 -2.328 -2.628 1.00 0.00 C ATOM 0 H LEU A 61 -5.452 -0.864 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.098 0.984 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.303 -1.497 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.165 -1.735 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.492 -0.362 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.893 -0.168 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.077 0.770 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.545 -0.792 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.913 -2.235 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.527 -2.938 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.383 -2.803 -3.542 1.00 0.00 H new ATOM 296 N GLY A 62 -2.905 0.664 -6.751 1.00 0.00 N ATOM 297 CA GLY A 62 -1.910 1.170 -7.677 1.00 0.00 C ATOM 298 C GLY A 62 -2.224 2.574 -8.153 1.00 0.00 C ATOM 299 O GLY A 62 -1.672 3.035 -9.152 1.00 0.00 O ATOM 0 H GLY A 62 -3.687 0.177 -7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.932 1.163 -7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.846 0.504 -8.537 1.00 0.00 H new ATOM 303 N LYS A 63 -3.110 3.260 -7.436 1.00 0.00 N ATOM 304 CA LYS A 63 -3.490 4.619 -7.790 1.00 0.00 C ATOM 305 C LYS A 63 -2.567 5.623 -7.107 1.00 0.00 C ATOM 306 O LYS A 63 -2.065 6.553 -7.737 1.00 0.00 O ATOM 307 CB LYS A 63 -4.941 4.889 -7.389 1.00 0.00 C ATOM 308 CG LYS A 63 -5.958 4.331 -8.371 1.00 0.00 C ATOM 309 CD LYS A 63 -7.358 4.845 -8.077 1.00 0.00 C ATOM 310 CE LYS A 63 -7.580 6.227 -8.670 1.00 0.00 C ATOM 311 NZ LYS A 63 -8.479 7.058 -7.823 1.00 0.00 N ATOM 0 H LYS A 63 -3.577 2.894 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.397 4.732 -8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.124 4.457 -6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.090 5.965 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.674 4.607 -9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.952 3.242 -8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.094 4.151 -8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.515 4.881 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.620 6.731 -8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.009 6.129 -9.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.604 7.992 -8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.403 6.590 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.058 7.173 -6.879 1.00 0.00 H new ATOM 325 N PHE A 64 -2.351 5.420 -5.810 1.00 0.00 N ATOM 326 CA PHE A 64 -1.489 6.295 -5.020 1.00 0.00 C ATOM 327 C PHE A 64 -0.155 6.548 -5.721 1.00 0.00 C ATOM 328 O PHE A 64 0.306 5.731 -6.518 1.00 0.00 O ATOM 329 CB PHE A 64 -1.248 5.687 -3.638 1.00 0.00 C ATOM 330 CG PHE A 64 -2.506 5.505 -2.840 1.00 0.00 C ATOM 331 CD1 PHE A 64 -3.203 6.603 -2.361 1.00 0.00 C ATOM 332 CD2 PHE A 64 -2.994 4.236 -2.571 1.00 0.00 C ATOM 333 CE1 PHE A 64 -4.363 6.438 -1.629 1.00 0.00 C ATOM 334 CE2 PHE A 64 -4.154 4.066 -1.839 1.00 0.00 C ATOM 335 CZ PHE A 64 -4.839 5.168 -1.367 1.00 0.00 C ATOM 0 H PHE A 64 -2.764 4.652 -5.281 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.997 7.253 -4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.757 4.721 -3.755 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.563 6.327 -3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.835 7.598 -2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.462 3.370 -2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.897 7.302 -1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.524 3.072 -1.636 1.00 0.00 H new ATOM 0 HZ PHE A 64 -5.745 5.037 -0.794 1.00 0.00 H new ATOM 345 N THR A 65 0.453 7.689 -5.418 1.00 0.00 N ATOM 346 CA THR A 65 1.730 8.068 -6.013 1.00 0.00 C ATOM 347 C THR A 65 2.889 7.274 -5.411 1.00 0.00 C ATOM 348 O THR A 65 3.360 6.297 -5.993 1.00 0.00 O ATOM 349 CB THR A 65 1.972 9.567 -5.810 1.00 0.00 C ATOM 350 OG1 THR A 65 1.019 10.333 -6.523 1.00 0.00 O ATOM 351 CG2 THR A 65 3.347 10.027 -6.238 1.00 0.00 C ATOM 0 H THR A 65 0.079 8.372 -4.759 1.00 0.00 H new ATOM 0 HA THR A 65 1.683 7.841 -7.078 1.00 0.00 H new ATOM 0 HB THR A 65 1.881 9.723 -4.735 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.191 11.287 -6.378 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.443 11.099 -6.064 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.104 9.496 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.487 9.818 -7.299 1.00 0.00 H new ATOM 359 N VAL A 66 3.353 7.724 -4.250 1.00 0.00 N ATOM 360 CA VAL A 66 4.468 7.093 -3.562 1.00 0.00 C ATOM 361 C VAL A 66 4.468 7.490 -2.086 1.00 0.00 C ATOM 362 O VAL A 66 4.261 6.647 -1.213 1.00 0.00 O ATOM 363 CB VAL A 66 5.806 7.492 -4.221 1.00 0.00 C ATOM 364 CG1 VAL A 66 6.974 7.342 -3.255 1.00 0.00 C ATOM 365 CG2 VAL A 66 6.042 6.669 -5.476 1.00 0.00 C ATOM 0 H VAL A 66 2.967 8.533 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 66 4.355 6.011 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 66 5.741 8.545 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.899 7.632 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.814 7.983 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.047 6.304 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.989 6.961 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.075 5.611 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.231 6.844 -6.183 1.00 0.00 H new ATOM 375 N PRO A 67 4.677 8.789 -1.780 1.00 0.00 N ATOM 376 CA PRO A 67 4.672 9.277 -0.401 1.00 0.00 C ATOM 377 C PRO A 67 3.423 8.813 0.335 1.00 0.00 C ATOM 378 O PRO A 67 3.424 8.666 1.557 1.00 0.00 O ATOM 379 CB PRO A 67 4.684 10.808 -0.543 1.00 0.00 C ATOM 380 CG PRO A 67 4.410 11.080 -1.986 1.00 0.00 C ATOM 381 CD PRO A 67 4.908 9.880 -2.735 1.00 0.00 C ATOM 0 HA PRO A 67 5.518 8.903 0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.927 11.267 0.093 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.646 11.222 -0.242 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.345 11.233 -2.159 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.920 11.985 -2.316 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.361 9.727 -3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.962 9.974 -2.996 1.00 0.00 H new ATOM 389 N MET A 68 2.362 8.563 -0.429 1.00 0.00 N ATOM 390 CA MET A 68 1.110 8.091 0.136 1.00 0.00 C ATOM 391 C MET A 68 1.215 6.600 0.433 1.00 0.00 C ATOM 392 O MET A 68 0.796 6.130 1.490 1.00 0.00 O ATOM 393 CB MET A 68 -0.048 8.357 -0.827 1.00 0.00 C ATOM 394 CG MET A 68 -0.279 9.833 -1.109 1.00 0.00 C ATOM 395 SD MET A 68 -2.029 10.252 -1.225 1.00 0.00 S ATOM 396 CE MET A 68 -2.224 10.401 -2.999 1.00 0.00 C ATOM 0 H MET A 68 2.349 8.681 -1.442 1.00 0.00 H new ATOM 0 HA MET A 68 0.915 8.630 1.063 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.147 7.842 -1.768 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.960 7.928 -0.412 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.181 10.426 -0.319 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.218 10.103 -2.041 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.258 10.658 -3.231 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.563 11.183 -3.373 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.970 9.453 -3.474 1.00 0.00 H new ATOM 406 N LEU A 69 1.800 5.869 -0.512 1.00 0.00 N ATOM 407 CA LEU A 69 1.996 4.432 -0.373 1.00 0.00 C ATOM 408 C LEU A 69 2.911 4.131 0.808 1.00 0.00 C ATOM 409 O LEU A 69 2.637 3.236 1.607 1.00 0.00 O ATOM 410 CB LEU A 69 2.588 3.864 -1.660 1.00 0.00 C ATOM 411 CG LEU A 69 1.577 3.619 -2.781 1.00 0.00 C ATOM 412 CD1 LEU A 69 2.280 3.528 -4.126 1.00 0.00 C ATOM 413 CD2 LEU A 69 0.777 2.354 -2.509 1.00 0.00 C ATOM 0 H LEU A 69 2.149 6.254 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 69 1.031 3.961 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.353 4.550 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.087 2.923 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 69 0.888 4.463 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.544 3.353 -4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.808 4.461 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.994 2.704 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.062 2.195 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.453 1.501 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.241 2.458 -1.566 1.00 0.00 H new ATOM 425 N LYS A 70 3.995 4.894 0.917 1.00 0.00 N ATOM 426 CA LYS A 70 4.949 4.719 2.008 1.00 0.00 C ATOM 427 C LYS A 70 4.232 4.714 3.354 1.00 0.00 C ATOM 428 O LYS A 70 4.628 4.005 4.280 1.00 0.00 O ATOM 429 CB LYS A 70 5.997 5.834 1.980 1.00 0.00 C ATOM 430 CG LYS A 70 6.970 5.725 0.818 1.00 0.00 C ATOM 431 CD LYS A 70 8.088 4.741 1.120 1.00 0.00 C ATOM 432 CE LYS A 70 9.394 5.163 0.467 1.00 0.00 C ATOM 433 NZ LYS A 70 10.318 4.011 0.279 1.00 0.00 N ATOM 0 H LYS A 70 4.235 5.639 0.263 1.00 0.00 H new ATOM 0 HA LYS A 70 5.448 3.759 1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.489 6.797 1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.557 5.818 2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.436 5.407 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.395 6.706 0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.227 4.667 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.807 3.749 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.185 5.622 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.879 5.921 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.266 4.267 0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.965 3.192 0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.369 3.768 -0.731 1.00 0.00 H new ATOM 447 N GLU A 71 3.171 5.510 3.451 1.00 0.00 N ATOM 448 CA GLU A 71 2.389 5.601 4.679 1.00 0.00 C ATOM 449 C GLU A 71 1.892 4.224 5.108 1.00 0.00 C ATOM 450 O GLU A 71 2.152 3.783 6.227 1.00 0.00 O ATOM 451 CB GLU A 71 1.206 6.550 4.484 1.00 0.00 C ATOM 452 CG GLU A 71 0.504 6.921 5.780 1.00 0.00 C ATOM 453 CD GLU A 71 0.896 8.297 6.281 1.00 0.00 C ATOM 454 OE1 GLU A 71 0.887 9.249 5.472 1.00 0.00 O ATOM 455 OE2 GLU A 71 1.213 8.423 7.483 1.00 0.00 O ATOM 0 H GLU A 71 2.833 6.102 2.692 1.00 0.00 H new ATOM 0 HA GLU A 71 3.033 5.995 5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.557 7.460 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.486 6.086 3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.575 6.888 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.741 6.179 6.543 1.00 0.00 H new ATOM 462 N ALA A 72 1.187 3.543 4.208 1.00 0.00 N ATOM 463 CA ALA A 72 0.670 2.210 4.499 1.00 0.00 C ATOM 464 C ALA A 72 1.809 1.268 4.863 1.00 0.00 C ATOM 465 O ALA A 72 1.722 0.514 5.832 1.00 0.00 O ATOM 466 CB ALA A 72 -0.108 1.671 3.308 1.00 0.00 C ATOM 0 H ALA A 72 0.962 3.891 3.276 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.007 2.278 5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.487 0.676 3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.944 2.335 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.549 1.615 2.440 1.00 0.00 H new ATOM 472 N CYS A 73 2.884 1.328 4.084 1.00 0.00 N ATOM 473 CA CYS A 73 4.051 0.493 4.330 1.00 0.00 C ATOM 474 C CYS A 73 4.630 0.789 5.707 1.00 0.00 C ATOM 475 O CYS A 73 5.023 -0.121 6.436 1.00 0.00 O ATOM 476 CB CYS A 73 5.109 0.725 3.251 1.00 0.00 C ATOM 477 SG CYS A 73 4.581 0.238 1.592 1.00 0.00 S ATOM 0 H CYS A 73 2.970 1.946 3.277 1.00 0.00 H new ATOM 0 HA CYS A 73 3.743 -0.552 4.296 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.378 1.781 3.241 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.009 0.169 3.513 1.00 0.00 H new ATOM 0 HG CYS A 73 4.147 1.282 0.951 1.00 0.00 H new ATOM 483 N ARG A 74 4.668 2.070 6.062 1.00 0.00 N ATOM 484 CA ARG A 74 5.184 2.486 7.359 1.00 0.00 C ATOM 485 C ARG A 74 4.340 1.886 8.476 1.00 0.00 C ATOM 486 O ARG A 74 4.858 1.496 9.523 1.00 0.00 O ATOM 487 CB ARG A 74 5.189 4.012 7.467 1.00 0.00 C ATOM 488 CG ARG A 74 6.128 4.542 8.540 1.00 0.00 C ATOM 489 CD ARG A 74 6.586 5.958 8.230 1.00 0.00 C ATOM 490 NE ARG A 74 7.692 5.979 7.277 1.00 0.00 N ATOM 491 CZ ARG A 74 8.955 5.709 7.600 1.00 0.00 C ATOM 492 NH1 ARG A 74 9.276 5.399 8.850 1.00 0.00 N ATOM 493 NH2 ARG A 74 9.900 5.748 6.671 1.00 0.00 N ATOM 0 H ARG A 74 4.348 2.836 5.469 1.00 0.00 H new ATOM 0 HA ARG A 74 6.208 2.126 7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.475 4.435 6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.177 4.357 7.679 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.624 4.525 9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.996 3.887 8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.750 6.530 7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.893 6.450 9.153 1.00 0.00 H new ATOM 0 HE ARG A 74 7.485 6.214 6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.553 5.367 9.569 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.245 5.193 9.092 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.659 5.985 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.868 5.541 6.919 1.00 0.00 H new ATOM 507 N ALA A 75 3.034 1.804 8.238 1.00 0.00 N ATOM 508 CA ALA A 75 2.111 1.239 9.212 1.00 0.00 C ATOM 509 C ALA A 75 2.208 -0.282 9.221 1.00 0.00 C ATOM 510 O ALA A 75 1.962 -0.926 10.240 1.00 0.00 O ATOM 511 CB ALA A 75 0.687 1.680 8.911 1.00 0.00 C ATOM 0 H ALA A 75 2.592 2.123 7.376 1.00 0.00 H new ATOM 0 HA ALA A 75 2.385 1.606 10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.009 1.249 9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.626 2.767 8.954 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.404 1.340 7.915 1.00 0.00 H new ATOM 517 N TYR A 76 2.576 -0.848 8.074 1.00 0.00 N ATOM 518 CA TYR A 76 2.714 -2.294 7.943 1.00 0.00 C ATOM 519 C TYR A 76 4.078 -2.754 8.450 1.00 0.00 C ATOM 520 O TYR A 76 4.214 -3.856 8.983 1.00 0.00 O ATOM 521 CB TYR A 76 2.543 -2.712 6.481 1.00 0.00 C ATOM 522 CG TYR A 76 1.102 -2.850 6.046 1.00 0.00 C ATOM 523 CD1 TYR A 76 0.123 -1.984 6.518 1.00 0.00 C ATOM 524 CD2 TYR A 76 0.721 -3.847 5.157 1.00 0.00 C ATOM 525 CE1 TYR A 76 -1.193 -2.109 6.117 1.00 0.00 C ATOM 526 CE2 TYR A 76 -0.592 -3.977 4.750 1.00 0.00 C ATOM 527 CZ TYR A 76 -1.545 -3.107 5.233 1.00 0.00 C ATOM 528 OH TYR A 76 -2.853 -3.232 4.827 1.00 0.00 O ATOM 0 H TYR A 76 2.784 -0.326 7.223 1.00 0.00 H new ATOM 0 HA TYR A 76 1.937 -2.765 8.546 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.035 -1.978 5.844 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.052 -3.663 6.324 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.395 -1.200 7.210 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.465 -4.532 4.778 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.942 -1.429 6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.871 -4.757 4.057 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.931 -3.984 4.203 1.00 0.00 H new ATOM 538 N GLY A 77 5.084 -1.903 8.278 1.00 0.00 N ATOM 539 CA GLY A 77 6.426 -2.236 8.720 1.00 0.00 C ATOM 540 C GLY A 77 7.217 -2.992 7.667 1.00 0.00 C ATOM 541 O GLY A 77 8.236 -3.611 7.975 1.00 0.00 O ATOM 0 H GLY A 77 4.994 -0.987 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.957 -1.320 8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.367 -2.838 9.627 1.00 0.00 H new ATOM 545 N LEU A 78 6.747 -2.944 6.424 1.00 0.00 N ATOM 546 CA LEU A 78 7.417 -3.632 5.325 1.00 0.00 C ATOM 547 C LEU A 78 8.584 -2.808 4.791 1.00 0.00 C ATOM 548 O LEU A 78 9.026 -1.852 5.428 1.00 0.00 O ATOM 549 CB LEU A 78 6.418 -3.926 4.203 1.00 0.00 C ATOM 550 CG LEU A 78 5.086 -4.519 4.664 1.00 0.00 C ATOM 551 CD1 LEU A 78 3.968 -4.130 3.708 1.00 0.00 C ATOM 552 CD2 LEU A 78 5.188 -6.033 4.780 1.00 0.00 C ATOM 0 H LEU A 78 5.905 -2.436 6.153 1.00 0.00 H new ATOM 0 HA LEU A 78 7.815 -4.573 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.219 -3.001 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.880 -4.615 3.496 1.00 0.00 H new ATOM 0 HG LEU A 78 4.852 -4.114 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.028 -4.561 4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.879 -3.044 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.195 -4.506 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.231 -6.438 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.446 -6.456 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.960 -6.291 5.505 1.00 0.00 H new ATOM 564 N LYS A 79 9.077 -3.185 3.616 1.00 0.00 N ATOM 565 CA LYS A 79 10.191 -2.485 2.990 1.00 0.00 C ATOM 566 C LYS A 79 9.896 -2.232 1.515 1.00 0.00 C ATOM 567 O LYS A 79 10.435 -2.902 0.635 1.00 0.00 O ATOM 568 CB LYS A 79 11.482 -3.295 3.141 1.00 0.00 C ATOM 569 CG LYS A 79 12.683 -2.455 3.544 1.00 0.00 C ATOM 570 CD LYS A 79 12.931 -1.326 2.557 1.00 0.00 C ATOM 571 CE LYS A 79 13.872 -0.281 3.133 1.00 0.00 C ATOM 572 NZ LYS A 79 15.296 -0.708 3.047 1.00 0.00 N ATOM 0 H LYS A 79 8.721 -3.974 3.077 1.00 0.00 H new ATOM 0 HA LYS A 79 10.322 -1.525 3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.327 -4.074 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.699 -3.796 2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.521 -2.040 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.568 -3.089 3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.354 -1.731 1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.983 -0.858 2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.742 0.659 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.612 -0.093 4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.905 0.032 3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.426 -1.592 3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.552 -0.863 2.051 1.00 0.00 H new ATOM 586 N SER A 80 9.025 -1.263 1.259 1.00 0.00 N ATOM 587 CA SER A 80 8.639 -0.917 -0.105 1.00 0.00 C ATOM 588 C SER A 80 9.749 -0.149 -0.817 1.00 0.00 C ATOM 589 O SER A 80 10.833 0.045 -0.268 1.00 0.00 O ATOM 590 CB SER A 80 7.356 -0.086 -0.092 1.00 0.00 C ATOM 591 OG SER A 80 7.383 0.877 0.947 1.00 0.00 O ATOM 0 H SER A 80 8.571 -0.701 1.980 1.00 0.00 H new ATOM 0 HA SER A 80 8.464 -1.844 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.233 0.414 -1.053 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.495 -0.742 0.038 1.00 0.00 H new ATOM 0 HG SER A 80 6.466 1.089 1.220 1.00 0.00 H new ATOM 597 N GLY A 81 9.471 0.280 -2.046 1.00 0.00 N ATOM 598 CA GLY A 81 10.459 1.016 -2.816 1.00 0.00 C ATOM 599 C GLY A 81 10.060 2.458 -3.060 1.00 0.00 C ATOM 600 O GLY A 81 8.903 2.832 -2.865 1.00 0.00 O ATOM 0 H GLY A 81 8.581 0.131 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.414 0.992 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.610 0.519 -3.774 1.00 0.00 H new ATOM 604 N LEU A 82 11.023 3.269 -3.488 1.00 0.00 N ATOM 605 CA LEU A 82 10.775 4.681 -3.760 1.00 0.00 C ATOM 606 C LEU A 82 10.158 4.890 -5.144 1.00 0.00 C ATOM 607 O LEU A 82 9.906 6.024 -5.550 1.00 0.00 O ATOM 608 CB LEU A 82 12.076 5.477 -3.647 1.00 0.00 C ATOM 609 CG LEU A 82 12.824 5.310 -2.321 1.00 0.00 C ATOM 610 CD1 LEU A 82 14.218 4.749 -2.557 1.00 0.00 C ATOM 611 CD2 LEU A 82 12.900 6.636 -1.579 1.00 0.00 C ATOM 0 H LEU A 82 11.984 2.972 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 82 10.063 5.039 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.738 5.180 -4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.851 6.534 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 82 12.271 4.602 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.732 4.638 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 82 14.141 3.776 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.781 5.430 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.435 6.497 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.428 7.366 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.892 6.996 -1.373 1.00 0.00 H new ATOM 623 N LYS A 83 9.916 3.798 -5.866 1.00 0.00 N ATOM 624 CA LYS A 83 9.329 3.884 -7.199 1.00 0.00 C ATOM 625 C LYS A 83 7.821 4.100 -7.111 1.00 0.00 C ATOM 626 O LYS A 83 7.331 5.206 -7.331 1.00 0.00 O ATOM 627 CB LYS A 83 9.635 2.614 -7.999 1.00 0.00 C ATOM 628 CG LYS A 83 10.295 2.885 -9.342 1.00 0.00 C ATOM 629 CD LYS A 83 9.902 1.843 -10.376 1.00 0.00 C ATOM 630 CE LYS A 83 11.078 1.465 -11.262 1.00 0.00 C ATOM 631 NZ LYS A 83 11.148 2.314 -12.483 1.00 0.00 N ATOM 0 H LYS A 83 10.116 2.849 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 83 9.771 4.738 -7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.285 1.970 -7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.707 2.066 -8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.009 3.876 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.378 2.889 -9.222 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.524 0.953 -9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.090 2.229 -10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.005 1.564 -10.697 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.992 0.418 -11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.963 2.025 -13.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.274 2.200 -13.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.256 3.311 -12.207 1.00 0.00 H new ATOM 645 N LYS A 84 7.095 3.035 -6.781 1.00 0.00 N ATOM 646 CA LYS A 84 5.639 3.095 -6.649 1.00 0.00 C ATOM 647 C LYS A 84 5.047 1.689 -6.587 1.00 0.00 C ATOM 648 O LYS A 84 4.591 1.246 -5.533 1.00 0.00 O ATOM 649 CB LYS A 84 5.002 3.889 -7.800 1.00 0.00 C ATOM 650 CG LYS A 84 5.636 3.641 -9.162 1.00 0.00 C ATOM 651 CD LYS A 84 5.759 4.927 -9.966 1.00 0.00 C ATOM 652 CE LYS A 84 7.201 5.403 -10.047 1.00 0.00 C ATOM 653 NZ LYS A 84 7.549 5.887 -11.411 1.00 0.00 N ATOM 0 H LYS A 84 7.493 2.114 -6.599 1.00 0.00 H new ATOM 0 HA LYS A 84 5.414 3.614 -5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.943 3.639 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.067 4.953 -7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.623 3.199 -9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.036 2.920 -9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.372 4.766 -10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.145 5.703 -9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.360 6.205 -9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.869 4.587 -9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.540 6.203 -11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.422 5.115 -12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.929 6.682 -11.666 1.00 0.00 H new ATOM 667 N GLN A 85 5.063 0.988 -7.718 1.00 0.00 N ATOM 668 CA GLN A 85 4.534 -0.371 -7.788 1.00 0.00 C ATOM 669 C GLN A 85 5.119 -1.246 -6.683 1.00 0.00 C ATOM 670 O GLN A 85 4.468 -2.172 -6.200 1.00 0.00 O ATOM 671 CB GLN A 85 4.832 -0.985 -9.156 1.00 0.00 C ATOM 672 CG GLN A 85 3.770 -1.963 -9.628 1.00 0.00 C ATOM 673 CD GLN A 85 2.480 -1.274 -10.027 1.00 0.00 C ATOM 674 OE1 GLN A 85 2.358 -0.053 -9.925 1.00 0.00 O ATOM 675 NE2 GLN A 85 1.509 -2.054 -10.487 1.00 0.00 N ATOM 0 H GLN A 85 5.437 1.339 -8.599 1.00 0.00 H new ATOM 0 HA GLN A 85 3.454 -0.320 -7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.930 -0.185 -9.890 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.793 -1.498 -9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.154 -2.528 -10.477 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.564 -2.681 -8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.653 -3.061 -10.555 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.619 -1.646 -10.773 1.00 0.00 H new ATOM 684 N GLU A 86 6.353 -0.947 -6.287 1.00 0.00 N ATOM 685 CA GLU A 86 7.023 -1.709 -5.239 1.00 0.00 C ATOM 686 C GLU A 86 6.224 -1.662 -3.943 1.00 0.00 C ATOM 687 O GLU A 86 6.108 -2.664 -3.238 1.00 0.00 O ATOM 688 CB GLU A 86 8.435 -1.167 -5.005 1.00 0.00 C ATOM 689 CG GLU A 86 9.357 -2.153 -4.305 1.00 0.00 C ATOM 690 CD GLU A 86 10.695 -2.299 -5.003 1.00 0.00 C ATOM 691 OE1 GLU A 86 10.706 -2.423 -6.246 1.00 0.00 O ATOM 692 OE2 GLU A 86 11.732 -2.289 -4.307 1.00 0.00 O ATOM 0 H GLU A 86 6.908 -0.184 -6.675 1.00 0.00 H new ATOM 0 HA GLU A 86 7.093 -2.747 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.873 -0.891 -5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.372 -0.256 -4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.521 -1.825 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.870 -3.127 -4.254 1.00 0.00 H new ATOM 699 N LEU A 87 5.663 -0.496 -3.641 1.00 0.00 N ATOM 700 CA LEU A 87 4.862 -0.330 -2.436 1.00 0.00 C ATOM 701 C LEU A 87 3.656 -1.254 -2.488 1.00 0.00 C ATOM 702 O LEU A 87 3.330 -1.924 -1.508 1.00 0.00 O ATOM 703 CB LEU A 87 4.420 1.130 -2.291 1.00 0.00 C ATOM 704 CG LEU A 87 5.569 2.144 -2.224 1.00 0.00 C ATOM 705 CD1 LEU A 87 5.392 3.235 -3.269 1.00 0.00 C ATOM 706 CD2 LEU A 87 5.671 2.748 -0.830 1.00 0.00 C ATOM 0 H LEU A 87 5.748 0.345 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 87 5.465 -0.592 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.776 1.386 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.817 1.225 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 87 6.498 1.617 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.219 3.941 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.377 2.788 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.452 3.759 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.492 3.465 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.738 3.255 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.856 1.957 -0.103 1.00 0.00 H new ATOM 718 N LEU A 88 3.011 -1.306 -3.649 1.00 0.00 N ATOM 719 CA LEU A 88 1.858 -2.175 -3.841 1.00 0.00 C ATOM 720 C LEU A 88 2.197 -3.597 -3.416 1.00 0.00 C ATOM 721 O LEU A 88 1.503 -4.194 -2.595 1.00 0.00 O ATOM 722 CB LEU A 88 1.414 -2.165 -5.304 1.00 0.00 C ATOM 723 CG LEU A 88 0.436 -1.053 -5.682 1.00 0.00 C ATOM 724 CD1 LEU A 88 1.189 0.211 -6.073 1.00 0.00 C ATOM 725 CD2 LEU A 88 -0.473 -1.510 -6.815 1.00 0.00 C ATOM 0 H LEU A 88 3.268 -0.757 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 88 1.040 -1.801 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.299 -2.078 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.953 -3.126 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.183 -0.826 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.476 0.992 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.798 0.546 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.833 0.001 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.164 -0.708 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.131 -1.763 -7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.037 -2.387 -6.497 1.00 0.00 H new ATOM 737 N GLU A 89 3.278 -4.131 -3.982 1.00 0.00 N ATOM 738 CA GLU A 89 3.720 -5.483 -3.661 1.00 0.00 C ATOM 739 C GLU A 89 3.806 -5.682 -2.154 1.00 0.00 C ATOM 740 O GLU A 89 3.218 -6.616 -1.609 1.00 0.00 O ATOM 741 CB GLU A 89 5.077 -5.768 -4.309 1.00 0.00 C ATOM 742 CG GLU A 89 5.168 -7.146 -4.945 1.00 0.00 C ATOM 743 CD GLU A 89 6.439 -7.333 -5.750 1.00 0.00 C ATOM 744 OE1 GLU A 89 7.532 -7.310 -5.147 1.00 0.00 O ATOM 745 OE2 GLU A 89 6.341 -7.501 -6.984 1.00 0.00 O ATOM 0 H GLU A 89 3.862 -3.647 -4.664 1.00 0.00 H new ATOM 0 HA GLU A 89 2.985 -6.183 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.274 -5.012 -5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.858 -5.672 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.121 -7.906 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.305 -7.301 -5.593 1.00 0.00 H new ATOM 752 N ALA A 90 4.531 -4.791 -1.480 1.00 0.00 N ATOM 753 CA ALA A 90 4.675 -4.871 -0.032 1.00 0.00 C ATOM 754 C ALA A 90 3.308 -4.974 0.631 1.00 0.00 C ATOM 755 O ALA A 90 3.098 -5.783 1.534 1.00 0.00 O ATOM 756 CB ALA A 90 5.436 -3.663 0.494 1.00 0.00 C ATOM 0 H ALA A 90 5.024 -4.010 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 90 5.245 -5.768 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.535 -3.738 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.427 -3.631 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.892 -2.752 0.242 1.00 0.00 H new ATOM 762 N LEU A 91 2.376 -4.156 0.159 1.00 0.00 N ATOM 763 CA LEU A 91 1.019 -4.163 0.685 1.00 0.00 C ATOM 764 C LEU A 91 0.323 -5.467 0.334 1.00 0.00 C ATOM 765 O LEU A 91 -0.145 -6.195 1.209 1.00 0.00 O ATOM 766 CB LEU A 91 0.225 -2.993 0.113 1.00 0.00 C ATOM 767 CG LEU A 91 0.409 -1.661 0.847 1.00 0.00 C ATOM 768 CD1 LEU A 91 1.243 -0.700 0.013 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.941 -1.045 1.185 1.00 0.00 C ATOM 0 H LEU A 91 2.536 -3.479 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 91 1.071 -4.066 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.509 -2.857 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.834 -3.253 0.124 1.00 0.00 H new ATOM 0 HG LEU A 91 0.940 -1.854 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.362 0.240 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.224 -1.138 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.742 -0.513 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.789 -0.100 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.500 -0.867 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.502 -1.726 1.825 1.00 0.00 H new ATOM 781 N THR A 92 0.263 -5.752 -0.961 1.00 0.00 N ATOM 782 CA THR A 92 -0.370 -6.964 -1.453 1.00 0.00 C ATOM 783 C THR A 92 0.161 -8.187 -0.707 1.00 0.00 C ATOM 784 O THR A 92 -0.607 -8.939 -0.108 1.00 0.00 O ATOM 785 CB THR A 92 -0.132 -7.086 -2.962 1.00 0.00 C ATOM 786 OG1 THR A 92 -1.124 -6.374 -3.680 1.00 0.00 O ATOM 787 CG2 THR A 92 -0.134 -8.509 -3.476 1.00 0.00 C ATOM 0 H THR A 92 0.649 -5.154 -1.692 1.00 0.00 H new ATOM 0 HA THR A 92 -1.444 -6.911 -1.272 1.00 0.00 H new ATOM 0 HB THR A 92 0.863 -6.670 -3.122 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.957 -6.460 -4.642 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.041 -8.507 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.654 -9.076 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.099 -8.970 -3.266 1.00 0.00 H new ATOM 795 N LYS A 93 1.478 -8.376 -0.739 1.00 0.00 N ATOM 796 CA LYS A 93 2.103 -9.502 -0.052 1.00 0.00 C ATOM 797 C LYS A 93 1.615 -9.603 1.393 1.00 0.00 C ATOM 798 O LYS A 93 1.538 -10.695 1.957 1.00 0.00 O ATOM 799 CB LYS A 93 3.631 -9.380 -0.092 1.00 0.00 C ATOM 800 CG LYS A 93 4.188 -8.272 0.787 1.00 0.00 C ATOM 801 CD LYS A 93 5.681 -8.442 1.019 1.00 0.00 C ATOM 802 CE LYS A 93 5.979 -9.660 1.880 1.00 0.00 C ATOM 803 NZ LYS A 93 7.114 -10.457 1.339 1.00 0.00 N ATOM 0 H LYS A 93 2.131 -7.766 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 93 1.814 -10.414 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.069 -10.329 0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.944 -9.205 -1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.999 -7.306 0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.668 -8.270 1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.190 -8.540 0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.079 -7.549 1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.212 -9.339 2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.090 -10.288 1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.286 -11.278 1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.882 -10.785 0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.969 -9.865 1.305 1.00 0.00 H new ATOM 817 N HIS A 94 1.292 -8.456 1.990 1.00 0.00 N ATOM 818 CA HIS A 94 0.819 -8.420 3.371 1.00 0.00 C ATOM 819 C HIS A 94 -0.632 -8.890 3.483 1.00 0.00 C ATOM 820 O HIS A 94 -1.143 -9.089 4.585 1.00 0.00 O ATOM 821 CB HIS A 94 0.950 -7.006 3.938 1.00 0.00 C ATOM 822 CG HIS A 94 0.934 -6.960 5.434 1.00 0.00 C ATOM 823 ND1 HIS A 94 2.061 -7.151 6.205 1.00 0.00 N ATOM 824 CD2 HIS A 94 -0.082 -6.746 6.303 1.00 0.00 C ATOM 825 CE1 HIS A 94 1.739 -7.058 7.483 1.00 0.00 C ATOM 826 NE2 HIS A 94 0.445 -6.812 7.569 1.00 0.00 N ATOM 0 H HIS A 94 1.349 -7.543 1.539 1.00 0.00 H new ATOM 0 HA HIS A 94 1.441 -9.103 3.949 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.879 -6.563 3.578 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.135 -6.392 3.555 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.115 -6.558 6.048 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.419 -7.165 8.315 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.079 -6.691 8.436 1.00 0.00 H new ATOM 835 N PHE A 95 -1.293 -9.068 2.342 1.00 0.00 N ATOM 836 CA PHE A 95 -2.681 -9.515 2.326 1.00 0.00 C ATOM 837 C PHE A 95 -2.962 -10.379 1.100 1.00 0.00 C ATOM 838 O PHE A 95 -4.083 -10.410 0.593 1.00 0.00 O ATOM 839 CB PHE A 95 -3.627 -8.311 2.352 1.00 0.00 C ATOM 840 CG PHE A 95 -4.552 -8.308 3.536 1.00 0.00 C ATOM 841 CD1 PHE A 95 -5.480 -9.322 3.708 1.00 0.00 C ATOM 842 CD2 PHE A 95 -4.491 -7.292 4.476 1.00 0.00 C ATOM 843 CE1 PHE A 95 -6.331 -9.323 4.798 1.00 0.00 C ATOM 844 CE2 PHE A 95 -5.339 -7.288 5.568 1.00 0.00 C ATOM 845 CZ PHE A 95 -6.260 -8.305 5.728 1.00 0.00 C ATOM 0 H PHE A 95 -0.890 -8.910 1.419 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.853 -10.120 3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.037 -7.394 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.219 -8.303 1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.540 -10.120 2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.773 -6.494 4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.050 -10.119 4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.281 -6.491 6.295 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.924 -8.304 6.580 1.00 0.00 H new ATOM 855 N GLN A 96 -1.936 -11.083 0.631 1.00 0.00 N ATOM 856 CA GLN A 96 -2.073 -11.952 -0.532 1.00 0.00 C ATOM 857 C GLN A 96 -2.869 -13.206 -0.181 1.00 0.00 C ATOM 858 O GLN A 96 -3.278 -13.392 0.965 1.00 0.00 O ATOM 859 CB GLN A 96 -0.693 -12.342 -1.070 1.00 0.00 C ATOM 860 CG GLN A 96 -0.237 -11.492 -2.243 1.00 0.00 C ATOM 861 CD GLN A 96 0.643 -12.257 -3.213 1.00 0.00 C ATOM 862 OE1 GLN A 96 0.403 -13.432 -3.492 1.00 0.00 O ATOM 863 NE2 GLN A 96 1.670 -11.593 -3.732 1.00 0.00 N ATOM 0 H GLN A 96 -1.001 -11.068 1.039 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.613 -11.404 -1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.038 -12.259 -0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.714 -13.388 -1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.111 -11.113 -2.773 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.309 -10.626 -1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.832 -10.620 -3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.297 -12.056 -4.390 1.00 0.00 H new ATOM 872 N ASP A 97 -3.085 -14.062 -1.174 1.00 0.00 N ATOM 873 CA ASP A 97 -3.831 -15.298 -0.968 1.00 0.00 C ATOM 874 C ASP A 97 -3.518 -16.310 -2.065 1.00 0.00 C ATOM 875 O ASP A 97 -4.025 -16.134 -3.193 1.00 0.00 O ATOM 876 CB ASP A 97 -5.334 -15.012 -0.934 1.00 0.00 C ATOM 877 CG ASP A 97 -6.078 -15.945 0.003 1.00 0.00 C ATOM 878 OD1 ASP A 97 -5.435 -16.510 0.912 1.00 0.00 O ATOM 879 OD2 ASP A 97 -7.303 -16.109 -0.173 1.00 0.00 O ATOM 880 OXT ASP A 97 -2.767 -17.268 -1.788 1.00 0.00 O ATOM 0 H ASP A 97 -2.754 -13.923 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.528 -15.722 -0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.498 -13.981 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.743 -15.109 -1.940 1.00 0.00 H new TER 885 ASP A 97